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
Module cgal disabled due to missing dependency CGAL
Configuring module algebra version SVN.r14111
Configuring module kernel version SVN.r14111 with Boost.FileSystem
Configuring module display version SVN.r14111
Configuring module core version SVN.r14111
Configuring module container version SVN.r14111
Configuring module atom version SVN.r14111 with Boost.FileSystem
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 OpenCV22
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 /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/base/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/base/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.base --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/base/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/base/test/test_objects.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/base/test/test_random.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/base_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_base_standards.py >/private/tmp/nightly-build-90354/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 0.668s

OK
base module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/benchmark/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/benchmark/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.benchmark --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/benchmark/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_benchmark_standards.py >/private/tmp/nightly-build-90354/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 0.007s

OK
benchmark module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/librmf/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/adding_data.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/alias.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/create.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/rmf_decorator.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/rmf_xml.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/examples/fast-test.results.out) > /dev/null
Run example adding_data.py ... 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 1.005s

OK
RMF examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/librmf/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=RMF --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_aliases.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_associations.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_backwards.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_bad_geometry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_closing.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_copy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_data_types.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_description.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_errors.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_file_level.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_low_level.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_multikey.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_prmf.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/librmf/test/test_sets.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/RMF_cpp_test_programs.py >/private/tmp/nightly-build-90354/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 ... 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 1.351s

OK (skipped=2)
RMF module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/algebra/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/examples/geometry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/examples/grid_space.py >/private/tmp/nightly-build-90354/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 0.011s

OK
algebra examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/algebra/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.algebra --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_bounding_box.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_cone.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_cylinder.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_dynamic_nn.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_eigen_analysis.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_geom_alignment.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_grid.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_inverse.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_log_grid.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_matrix2d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_matrix3d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_nearest_neighbor.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_random_ball.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_random_chain.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_random_rotations.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_regression_fit.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_rigid_transformation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_rotation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_shortest_segment.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_sphere.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_sphere_cover.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_sphere_patch.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_spherical_coords.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_transformation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_triangle3d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_uniform_rotation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_vector3d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_vector4d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_vector_on_box.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_vectorkd.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_vol.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_xyz.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/algebra/test/test_zyz.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/algebra_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_algebra_standards.py >/private/tmp/nightly-build-90354/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 ... 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 ... ok
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 ... 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 ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 128 tests in 3.150s

OK (skipped=2)
algebra module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/kernel/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/basic_optimization.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/chain.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/dependency_graph.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/dock_with_crosslinks.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/graph.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/nup84_cg.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/nup84_rb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/write_a_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/write_an_optimizer_state.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/examples/fast-test.results.out) > /dev/null
Run example basic_optimization.py ... 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 1.002s ... 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 4.879s ... ok
Run example write_a_restraint.py ... ok
Run example write_an_optimizer_state.py ... ok

----------------------------------------------------------------------
Ran 9 tests in 7.166s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 0 scoring
Restraint 0
kernel examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/kernel/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_comparisons.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_config_set.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_dependency_graph.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_directories.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_exceptions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_file.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_key.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_log.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_model.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_particle_tuples.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_refcount.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_restraint_sets.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_score_state.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_scoreing_function.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_typemaps.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/kernel_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_kernel_standards.py >/private/tmp/nightly-build-90354/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 1.302s ... 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 ... 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py", line 37, in test_temp_restraints
    dirchk.assert_number(2)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 728, in assert_number
    str(newnames))
AssertionError: 3L != 2 : Number of objects don't match: 3 != 2 found ['Model 43']

----------------------------------------------------------------------
Ran 92 tests in 2.358s

FAILED (failures=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 10 scoring
Restraint 10
dummy scoring
dummy
P11
P10
P9
P8
P7
P6
P5
P4
P3
P2
P1
P0
Model 28
P11
P10
P9
P8
P7
P6
P5
P4
P3
P2
P1
P0
Model 27
P11
P10
P9
P8
P7
P6
P5
P4
P3
P2
P1
P0
P1
P5
P6
P9
P1
P3
P2
Model 21
Model 19
P7
P0
P4
P4
P4
P3
P0
P0
P10
P4
P0
P5
P3
P2
P3
P9
P6
P1
P9
P10
P6
P7
dummy scoring
P8
P11
P7
P9
P8
P7
P3
P10
Model 20
P8
P11
P6
P10
P8
P0
P5
P7
P12
P10
P13
P1
P11
P0
Model 23
P4
P4
Model 24
P0
P11
P5
P2
P3
P7
P5
P1
P1
P4
P5
P6
P9
P2
P10
P9
Model 18
P1
P3
P10
P11
P8
P6
P2
P8
P2
P7
P6
P8
P2
P11
P9
P5
P11
dummy
Model 22
scons: *** Error 1
kernel module unit tests FAILED
Running kernel module unit tests
scons: *** [modules/kernel/test/fast-test.results] Error 1
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/display/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/basic_geometry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/display_log.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/displaying_ensembles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/show_particles_as_spheres.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/examples/fast-test.results.out) > /dev/null
Run example basic_geometry.py ... ok
Run example display_log.py ... ok
Run example displaying_ensembles.py ... in 6.976s ... ok
Run example show_particles_as_spheres.py ... ok

----------------------------------------------------------------------
Ran 4 tests in 7.646s

OK
display examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/display/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.display --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_chimera.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_cmm.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_colormap.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_create_writer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_isosurface.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_log.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_mesh.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_pivy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_polygon.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_pymol.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_textwriter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/display/test/test_writers.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_display_standards.py >/private/tmp/nightly-build-90354/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 0.799s

OK (skipped=5)
display module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/core/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/XYZR_Decorator.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/XYZ_Decorator.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/connectivity_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/cover_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/excluded_volume.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/incremental_mc.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/ms_connectivity_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/optimize_balls.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/pair_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/restrain_diameter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/rigid_collisions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/examples/symmetry.py >/private/tmp/nightly-build-90354/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 ... ok
Run example ms_connectivity_restraint.py ... ok
Run example optimize_balls.py ... in 13.280s ... ok
Run example pair_restraint.py ... ok
Run example restrain_diameter.py ... ok
Run example rigid_bodies.py ... in 1.428s ... ok
Run example rigid_collisions.py ... ok
Run example symmetry.py ... ok

----------------------------------------------------------------------
Ran 13 tests in 16.066s

OK
core examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/core/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.core --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_angle.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_blame.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_box.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_centroid.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_cg_optimizer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_children.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_close_pair_finders.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_close_pairs_ps.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_connectivity.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_cosine.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_cover.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_cover_refiner.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_destroy_rigid_body.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_diameter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_dihedral.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_display_deriv.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_distance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_ev.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_geom_alignment.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_get_from.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_harmonic.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_hierarchy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_incremenal_mc.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_incremenal_scoring.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_linear.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_mccg.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_ms_connectivity.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_nested_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_refined_pairs_ps.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_restraints_scoring_function.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_rigid_distance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_score_log.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_sd_optimizer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_splines.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_table.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_to_from_refined.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_transform.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_transform_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_truncated_harmonic.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_typed_pair_score.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/core/test/test_xyzr.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/core_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_core_standards.py >/private/tmp/nightly-build-90354/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 ... ok
Testing NearestNeighborsClosePairsFinder ... ok
Testing QuadraticClosePairsFinder ... in 1.042s ... ok
Testing RigidClosePairsFinder ... ok
Testing BoxSweepClosePairsFinder ... skipped 'no CGAL support'
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 2.081s ... ok
Testing incremental scoring with Monte Carlo and a nbl ... in 1.153s ... 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 1.172s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 78 tests in 9.811s

OK (skipped=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
ModelScoringFunction22
distance_rsrs
TupleRestraint 97
DistancePairScore 101
UnaryFunction209
TupleRestraint 96
DistancePairScore 100
UnaryFunction208
TupleRestraint 95
DistancePairScore 99
UnaryFunction207
P2
P1
P0
Model 83
ModelScoringFunction21
Optimizer0
distance_rsrs
TupleRestraint 94
DistancePairScore 98
UnaryFunction206
TupleRestraint 93
DistancePairScore 97
UnaryFunction205
TupleRestraint 92
DistancePairScore 96
UnaryFunction204
P2
P1
P0
Model 82
msconnectivity list
MSConnectivityRestraint 5
P7
P6
P5
P4
P3
P2
P1
P0
Model 71
msconnectivity list
MSConnectivityRestraint 4
DistancePairScore 95
UnaryFunction187
P5
P4
P3
P2
P1
P0
Model 70
msconnectivity list
MSConnectivityRestraint 3
P7
P6
P5
P4
P2
P1
P0
Model 69
msconnectivity list
MSConnectivityRestraint 2
UnaryFunction186
DistancePairScore 94
P5
P4
P3
P2
P1
P0
Model 68
msconnectivity list
MSConnectivityRestraint 1
P7
P6
P5
P4
P3
P2
P1
P0
Model 67
msconnectivity list
MSConnectivityRestraint 0
DistancePairScore 93
UnaryFunction185
P5
P4
P3
P2
P1
P0
Model 66
TupleRestraint 91
DistancePairScore 92
TupleRestraint 90
DistancePairScore 91
TupleRestraint 89
DistancePairScore 90
UnaryFunction167
UnaryFunction166
UnaryFunction165
TupleRestraint 88
DistancePairScore 89
TupleRestraint 87
DistancePairScore 88
TupleRestraint 86
DistancePairScore 87
UnaryFunction164
UnaryFunction163
P3
UnaryFunction162
TupleRestraint 85
DistancePairScore 86
TupleRestraint 84
DistancePairScore 85
TupleRestraint 83
DistancePairScore 84
UnaryFunction161
UnaryFunction160
UnaryFunction159
TupleRestraint 82
DistancePairScore 83
TupleRestraint 81
DistancePairScore 82
TupleRestraint 80
DistancePairScore 81
UnaryFunction158
UnaryFunction157
UnaryFunction156
TupleRestraint 79
DistancePairScore 80
TupleRestraint 78
DistancePairScore 79
TupleRestraint 77
DistancePairScore 78
UnaryFunction155
UnaryFunction154
UnaryFunction153
TupleRestraint 76
DistancePairScore 77
TupleRestraint 75
DistancePairScore 76
TupleRestraint 74
DistancePairScore 75
UnaryFunction152
UnaryFunction151
UnaryFunction150
P2
P1
P0
Model 54
Optimizer1
core module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/container/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/bipartite_nonbonded_interactions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/connectivity.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/filter_close_pairs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/nonbonded_interactions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/examples/restrain_in_sphere.py >/private/tmp/nightly-build-90354/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 0.351s

OK
container examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/container/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.container --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_all_pairs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_close_bipartite_pairs_score_state.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_close_pairs_score_state.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_connectivity_container.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_consecutive_pair_container.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_decomp.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_distribute.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_events.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_particle_pair_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_particle_pair_state.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_particle_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_particle_state.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/test_removes.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/container_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_container_standards.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/container/test/fast-test.results.out) > /dev/null
Check AllPairContainer ... 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 1.109s ... ok
Test ClosePairContainer complete list over time ... ok
Test ClosePairContainer with rigid finder ... in 4.235s ... 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 ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 37 tests in 9.073s

OK
container module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/atom/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/assess_dope.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/brownian_statistics.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/cg_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/charmm_forcefield.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/charmm_forcefield_verbose.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/load_protein_restrain_bonds.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/markers.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/molecular_hierarchy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/rigid_brownian_dynamics.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/score_protein_with_ligand.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/structure_from_sequence.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/examples/fast-test.results.out) > /dev/null
Run example assess_dope.py ... in 1.784s ... ok
Run example brownian_statistics.py ... ok
Run example cg_pdb.py ... ok
Run example charmm_forcefield.py ... in 6.727s ... ok
Run example charmm_forcefield_verbose.py ... in 6.613s ... ok
Run example load_protein_restrain_bonds.py ... ok
Run example markers.py ... ok
Run example molecular_hierarchy.py ... in 1.846s ... ok
Run example rigid_brownian_dynamics.py ... in 1.971s ... ok
Run example score_protein_with_ligand.py ... in 22.858s ... ok
Run example structure_from_sequence.py ... ok

----------------------------------------------------------------------
Ran 11 tests in 42.960s

OK
atom examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/atom/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.atom --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_bd_singleton_score.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_bond_decorator_particle_pair_container.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_bond_refiner.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_bonds.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_charged_decorator.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_charmm_atom.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_charmm_parameters.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_charmm_stereochemistry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_charmm_topology.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_clone.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_coulomb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_cover.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_cover_bond.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_create_protein.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_dihedrals.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_distance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_dna_simpl.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_element.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_estimates.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_force_switch.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_fragment.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_free_model.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_get_residue.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_hierarchy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_hierarchy_conversion.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_hierarchy_navigation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_lennard_jones_decorator.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_lennard_jones_pair_score.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_md_optimizer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_md_states.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_mol2.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_pattern.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_pdb_frames.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_pdb_string.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_protein_ligand_score.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_rb_bd.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_ref_optimizer_states.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_refcount_hierarchy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_residue.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_residue_type.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_rg.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_rigid_alignment_with_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_rmsd_and_no.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_simplify.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/atom/test/test_stereo_pair_filter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_atom_standards.py >/private/tmp/nightly-build-90354/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 2.204s ... 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 ... ok
Check cover from rigid selection ... in 1.463s ... ok
Test cover bond ... ok
Test dihedral functions ... ok
Test drms measure taking into account rigid bodies ... ok
Testing that component placement score returns the same transformation if called twice ... ok
Test drms measure ... 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 ... 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 2.864s ... ok
Check brownian dynamics with rigid bodies ... in 1.227s ... 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 ... ok
Check radius of gyration ... ok
Rigid aligment with rigid bodies ... in 1.806s ... 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 ... 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 ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 147 tests in 21.882s

OK (skipped=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
OptimizerState 4
Restraint 1
ModelScoringFunction7
MD 6
P0
Model 70
P499
P497
P496
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atom module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/statistics/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/examples/kmeans.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/examples/write_a_metric.py >/private/tmp/nightly-build-90354/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 0.109s

OK
statistics examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/statistics/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.statistics --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_bin_cluster.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_centrality_cluster.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_connectivity_clustering.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_diameter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_histogram.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_histogram_d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_recursive.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_show_histogram.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/test_simple_kmeans.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_statistics_standards.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/statistics/test/fast-test.results.out) > /dev/null
Test bin clustering ... in 1.324s ... ok
Check that the centrality clustering works on trivial sets ... 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 3.796s

OK (skipped=3)
statistics module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/rmf/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/geometry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/multiresolution.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/simulation.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/examples/fast-test.results.out) > /dev/null
Run example geometry.py ... ok
Run example multiresolution.py ... in 2.802s ... ok
Run example pdb.py ... ok
Run example simulation.py ... in 4.517s ... ok

----------------------------------------------------------------------
Ran 4 tests in 7.599s

OK
rmf examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/rmf/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.rmf --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_geometry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_hierarchy.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_model_dependencies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_multiframe.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_restraints.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies_external.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_round_trip.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/rmf/test/test_static_geometry.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_rmf_standards.py >/private/tmp/nightly-build-90354/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 1.060s

OK (skipped=1)
rmf module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/domino/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/custom_filter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/domino_approach.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/interactive.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/interactive_with_containers.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/merge_tree.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/multiscale.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/restraint_cache.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/rigid_body_excluded_volume.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/save_assignments.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/six_particles_optimization.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/examples/test_examples.py >/private/tmp/nightly-build-90354/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 0.983s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
MF0 0
domino examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/domino/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.domino --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_bandb_sampler.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_cache.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_caching_sampling.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_cluster.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_containers.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_default_subset_states.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_default_subset_states_with_filtering.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_filters.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_find_pairs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_interaction_graph.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_ints_list.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_junction_tree.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_merge_tree.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_nested_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_nested_states.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_order.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_permutation_state.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_restraint_cache.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_sampling.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_static_container.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_stray_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/domino/test/test_write_merge_tree.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_domino_standards.py >/private/tmp/nightly-build-90354/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 4.353s ... 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 ... ok
Test recursive subset states ... ok
Test simple subset states ... ok
Test filtering with simple and minimal ... in 1.961s ... ok
Test filtering with recursive ... in 2.528s ... ok
Test filtering with simple ... in 2.550s ... ok
Test exclusion filtering pairs ... in 2.060s ... 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 1.308s ... 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 1.200s ... 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 ... 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 19.944s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 1 scoring
Restraint 2
Restraint 1 scoring
Restraint 0 scoring
Restraint 1
Restraint 2 scoring
Restraint 2 scoring
Restraint 0 scoring
Restraint 0
domino module unit tests succeeded
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:592: Warning 314: 'from' is a python keyword, renaming to '_from'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:592: Warning 314: 'from' is a python keyword, renaming to '_from'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:680: Warning 314: 'in' is a python keyword, renaming to '_in'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:680: Warning 314: 'in' is a python keyword, renaming to '_in'
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/em/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/analyze_convergence.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/cube.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/fit_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/generate_density_map_of_fixed_dimension.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/local_fitting.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/pdb2density.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/examples/fast-test.results.out) > /dev/null
Run example analyze_convergence.py ... in 1.572s ... ok
Run example cube.py ... ok
Run example fit_restraint.py ... in 33.368s ... ok
Run example generate_density_map_of_fixed_dimension.py ... in 2.195s ... ok
Run example local_fitting.py ... in 87.881s ... ok
Run example pdb2density.py ... in 19.314s ... ok

----------------------------------------------------------------------
Ran 6 tests in 144.334s

OK
em examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/em/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_add_map2map/test_add_map2map.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_calc_cc/test_calc_cc.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_calc_cc/test_correlation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_correlation_decomposition.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_coverters.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_crop.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_density2particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_densityMapVolumetrics.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_derivs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_em_fit.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_envelope_penetration_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_fitting_grid_search_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_fitting_of_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_get_density.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_kernel_parameters.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_local_fitting.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_map_header.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_module.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_origin_spacing.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_pad_margin.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_protein_fit_at_different_resolutions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_read_write_maps/test_read_write_map.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_refcount.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_resample.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_resample_by_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_rigid_cc_score_by_grid_rotation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_rigid_fitting_by_grid_rotation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_sample_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_sample_particles/test_sample_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_spacing.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_surface/test_geo_score.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_surface/test_pad.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_surface_sample_particles.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_surface_sample_protein.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_transform.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/test_volumes_and_images.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_em_standards.py >/private/tmp/nightly-build-90354/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 20.750s ... ok
test that the create map is reasonable ... ok
test that the correlation at intervals functionality works ... in 30.247s ... ok
test that two maps that sample the same particles have cc score of 1 ... in 6.583s ... ok
test that padding option does not affect the CC score ... in 4.513s ... ok
test that translating either the map or the particles does not change the cc score ... in 6.605s ... ok
test that the simple fast ccc function works ... in 4.418s ... ok
Test that correlation and decomposed correlation return the same score ... in 1.217s ... ok
Test that the full and decomposed fit restraint return the same score ... in 3.369s ... ok
Test that the normalization factor is a constant ... in 5.775s ... 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 1.063s ... ok
test_get_molecular_mass_at_threshold (_test_8.DensityMapVolumetricsTest) ... ok
Test calculated derivatives for a distorted model's map ... ok
Test if the derivatives can pull the particles back into the density ... ok
Testing FitRestraint derivative magnitudes ... in 15.454s ... 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 16.491s ... ok
test_penetration (_test_11.EnvelopePenetrationRestraintTest) ... in 16.446s ... ok
Check that the local rigid fitting grid search works ... in 8.610s ... ok
Test that multiple rigid bodies are correctly pulled into the density ... in 8.360s ... ok
Check get_density ... in 8.745s ... 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 26.879s ... ok
Check memory management of DensityHeader ... in 3.502s ... ok
test_header_values (_test_17.HeaderTest) ... in 3.503s ... ok
test em format read/write ... in 3.472s ... ok
test mrc format read/write ... in 3.454s ... 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 38.147s ... ok
test correct I/O of EM header ... ok
Check refcounting of IMP.em.DensityMap objects read from files ... in 1.665s ... ok
Check resampling of maps ... in 39.413s ... ok
test resampling with and without rigid bodies ... in 57.698s ... ok
test_compute_fitting_scores (_test_26.RigidBodyCorrelationByGridRotation) ... in 30.700s ... ok
Check that CC score does not change after grid and protein rotation ... ok
Check that CC score does not change after grid and protein rotation ... ok
Check that sampling particles works ... in 1.552s ... ok
test that the sampling works ... ok
Check that the correct spacing gets the highest CC ... in 1.568s ... ok
Check bad geometric complementarity score ... ok
Check good geometric complementarity score ... ok
Test map padding ... in 10.485s ... ok
Check that surface sampling works ... ok
Check that protein surface sampling works ... ok
Check transforming a density map ... in 16.252s ... ok
Check functionality of the get_transformed_into function ... ok
Check volume reading and writing ... 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 403.558s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
created density map
PRO
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PHE
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ARG
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TYR
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PRO
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ILE
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PRO
Atom CA of residue 123
GLU
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ASP
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LYS
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GLU
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SER
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LEU
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CYS
VAL
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THR
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SER
Atom CA of residue 89
PRO
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TYR
Atom CA of residue 87
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Atom CA of residue 86
ASN
Atom CA of residue 85
PRO
HIS
PHE
Atom CA of residue 82
LEU
PRO
Atom CA of residue 80
PRO
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GLU
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PHE
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LYS
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GLY
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LYS
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Atom CA of residue 44
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GLY
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VAL
ALA
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GLY
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PRO
HIS
Atom CA of residue 20
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LYS
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ARG
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TRP
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LYS
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GLN
LEU
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SER
LEU
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Chain A
1z5s_A.pdb
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ASN
Atom N of residue 130
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PHE
Atom N of residue 128
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PRO
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VAL
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LYS
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VAL
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ARG
Atom N of residue 115
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GLU
Atom N of residue 113
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ASP
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GLU
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Atom N of residue 101
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VAL
Atom NZ of residue 96
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ASN
Atom N of residue 95
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ILE
Atom N of residue 94
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ASP
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ILE
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ILE
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LEU
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LEU
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Atom NH1 of residue 50
Atom CZ of residue 50
Atom NE of residue 50
ASP
Atom CD of residue 50
Atom CB of residue 50
Atom O of residue 50
Atom C of residue 50
Atom CA of residue 50
ARG
Atom N of residue 50
Atom OE2 of residue 49
Atom CB of residue 49
Atom O of residue 49
Atom C of residue 49
Atom CA of residue 49
GLU
Atom CE of residue 48
Atom SD of residue 48
Atom CG of residue 48
Atom CB of residue 48
Atom C of residue 48
Atom CA of residue 48
MET
Atom N of residue 48
Atom NH2 of residue 47
Atom CZ of residue 47
Atom NE of residue 47
Atom CD of residue 47
Atom CG of residue 47
Atom CA of residue 47
ARG
Atom N of residue 47
Atom CB of residue 46
Atom O of residue 46
Atom CA of residue 46
ALA
Atom N of residue 46
Atom CA of residue 27
Atom CB of residue 45
Atom O of residue 45
Atom C of residue 45
Atom CG2 of residue 44
Atom OG1 of residue 44
Atom CB of residue 44
Atom C of residue 44
GLN
Atom CA of residue 44
THR
Atom N of residue 44
Atom NE2 of residue 43
Atom OE1 of residue 43
Atom CG of residue 43
Atom CB of residue 43
Atom O of residue 43
Atom N of residue 43
Atom OG of residue 42
Atom O of residue 42
Atom N of residue 42
Atom CG2 of residue 41
Atom CG1 of residue 41
Atom CB of residue 41
Atom O of residue 41
Atom CA of residue 41
VAL
Atom N of residue 41
Atom CG2 of residue 40
Atom OG1 of residue 40
Atom CB of residue 40
Atom O of residue 40
Atom CA of residue 4
Atom C of residue 40
THR
Atom N of residue 40
Atom CD of residue 39
Atom CB of residue 39
Atom O of residue 39
Atom CA of residue 39
Atom N of residue 39
Atom O of residue 38
Atom C of residue 38
Atom CA of residue 38
Atom N of residue 38
Atom OG of residue 37
Atom CB of residue 37
Atom C of residue 37
SER
Atom OE1 of residue 36
Atom CD of residue 36
Atom CB of residue 36
Atom C of residue 36
Atom N of residue 36
Atom OE1 of residue 35
Atom CB of residue 35
Atom O of residue 35
Atom C of residue 35
Atom CD2 of residue 34
Atom CD1 of residue 34
Atom CG of residue 34
Atom O of residue 34
Atom C of residue 34
Atom NH1 of residue 33
Atom CD of residue 33
Atom CG of residue 33
Atom CB of residue 33
Atom C of residue 33
Atom CA of residue 33
ARG
Atom N of residue 33
Atom OE2 of residue 32
Atom OE1 of residue 32
Atom CD of residue 32
Atom CG of residue 32
Atom CB of residue 32
Atom O of residue 32
Atom CA of residue 32
Atom C of residue 31
Atom CA of residue 31
Atom CG2 of residue 30
Atom C of residue 30
Atom CD of residue 29
Atom CG of residue 29
Atom O of residue 29
Atom C of residue 29
Atom CB of residue 28
Atom O of residue 28
Atom N of residue 28
Atom NH1 of residue 27
Atom CZ of residue 27
Atom NE of residue 27
PRO
THR
Atom N of residue 24
Atom CG2 of residue 23
Atom CB of residue 23
Atom C of residue 23
VAL
Atom N of residue 23
GLY
Atom OE2 of residue 21
Atom OE1 of residue 21
Atom CG of residue 21
Atom CB of residue 21
Atom O of residue 21
Atom C of residue 21
GLU
Atom OE2 of residue 20
Atom OE1 of residue 20
Atom CD of residue 20
Atom CG of residue 20
Atom O of residue 20
Atom CA of residue 20
GLU
Atom CD of residue 19
Atom CG of residue 19
Atom CB of residue 19
Atom O of residue 19
Atom N of residue 19
Atom CD2 of residue 18
Atom CD1 of residue 18
Atom CB of residue 18
Atom C of residue 18
LEU
Atom N of residue 18
Atom CD of residue 17
Atom CG of residue 17
Atom O of residue 17
Atom CA of residue 17
GLU
Atom CZ of residue 16
Atom CE1 of residue 16
Atom CD2 of residue 16
Atom CD1 of residue 16
Atom CG of residue 16
Atom C of residue 16
Atom CA of residue 16
Atom CD1 of residue 15
Atom CG1 of residue 15
Atom O of residue 15
Atom C of residue 15
Atom CA of residue 15
ILE
Atom CG2 of residue 14
Atom CB of residue 14
Atom CA of residue 14
Atom NH2 of residue 13
Atom CZ of residue 13
Atom NE of residue 13
Atom CD of residue 13
Atom CB of residue 13
Atom O of residue 13
Atom C of residue 13
Atom CA of residue 13
ARG
Atom N of residue 13
Atom CD2 of residue 12
Atom CG of residue 12
Atom CB of residue 12
Atom O of residue 12
Atom C of residue 12
Atom CA of residue 12
Atom OH of residue 11
Atom CZ of residue 11
Atom CE2 of residue 11
Atom CE1 of residue 11
Atom CD2 of residue 11
Atom O of residue 11
Atom CA of residue 11
TYR
Atom N of residue 11
Atom CE of residue 10
Atom SD of residue 10
Atom CG of residue 10
Atom O of residue 10
Atom CA of residue 10
Atom N of residue 10
Atom OE2 of residue 9
Atom OE1 of residue 9
Atom CG of residue 9
Atom O of residue 9
Atom N of residue 9
Atom CG2 of residue 8
Atom OG1 of residue 8
Atom CB of residue 8
Atom O of residue 8
Atom CA of residue 8
THR
Atom N of residue 8
Atom CG2 of residue 7
Atom O of residue 7
Atom C of residue 7
Atom CA of residue 7
THR
Atom N of residue 7
Atom CG of residue 6
Atom CB of residue 6
Atom O of residue 6
Atom CA of residue 6
ASP
Atom CG2 of residue 5
Atom CB of residue 5
Atom N of residue 5
Atom CD2 of residue 4
Atom CD1 of residue 4
Atom CG of residue 4
Atom CB of residue 4
Atom O of residue 4
Atom C of residue 4
LEU
1tdx.pdb
Atom N of residue 4
Atom CG of residue 157
Atom CB of residue 157
Atom O of residue 157
Atom CA of residue 157
Atom N of residue 157
Atom CB of residue 156
Atom O of residue 156
Atom C of residue 156
Atom CA of residue 156
ALA
Atom N of residue 156
Atom CZ of residue 155
Atom CE1 of residue 155
Atom CD2 of residue 155
Atom CD1 of residue 155
Atom CG of residue 155
Atom CB of residue 155
Atom O of residue 155
Atom CA of residue 155
Atom N of residue 155
Atom NZ of residue 154
Atom CE of residue 154
Atom CD of residue 154
Atom CG of residue 154
Atom CB of residue 154
Atom O of residue 154
Atom CA of residue 154
Atom N of residue 154
Atom NZ of residue 153
Atom CE of residue 153
Atom CD of residue 153
Atom CG of residue 153
Atom CB of residue 153
Atom O of residue 153
Atom C of residue 153
Atom CA of residue 153
LYS
Atom N of residue 153
Atom CB of residue 152
Atom O of residue 152
Atom C of residue 152
Atom CA of residue 152
ALA
Atom CA of residue 4
Atom N of residue 152
Atom NE2 of residue 151
Atom OE1 of residue 151
Atom CD of residue 151
Atom CG of residue 151
Atom CB of residue 151
Atom O of residue 151
Atom C of residue 151
Atom CA of residue 151
GLN
Atom N of residue 151
Atom CB of residue 150
Atom O of residue 150
Atom N of residue 150
Atom NH2 of residue 149
Atom CZ of residue 149
Atom NE of residue 149
Atom CD of residue 149
Atom CG of residue 149
ARG
Atom CG2 of residue 148
Atom CG1 of residue 148
Atom C of residue 148
Atom N of residue 148
Atom NH2 of residue 147
Atom NH1 of residue 147
Atom CD of residue 147
Atom CG of residue 147
ARG
Atom N of residue 147
Atom CD of residue 146
Atom CG of residue 146
Atom O of residue 146
Atom C of residue 146
Atom CA of residue 146
LYS
Atom N of residue 146
Atom OE2 of residue 145
Atom OE1 of residue 145
Atom CD of residue 145
Atom CB of residue 145
Atom O of residue 145
Atom C of residue 145
Atom CA of residue 145
Atom N of residue 145
Atom OH of residue 144
Atom CD2 of residue 144
Atom CD1 of residue 144
Atom CG of residue 144
Atom O of residue 144
Atom CA of residue 144
Atom OE2 of residue 143
Atom OE1 of residue 143
Atom CD of residue 143
Atom CG of residue 143
Atom CB of residue 143
Atom O of residue 143
Atom CA of residue 143
Atom CG1 of residue 142
Atom CB of residue 142
Atom C of residue 142
Atom CA of residue 142
VAL
Atom N of residue 142
Atom NE of residue 141
Atom CB of residue 141
Atom O of residue 141
Atom C of residue 141
Atom CA of residue 141
ARG
Atom N of residue 141
Atom OD1 of residue 140
Atom CG of residue 140
Atom CB of residue 140
Atom CB of residue 138
Atom CE2 of residue 137
Atom CE1 of residue 137
Atom CG of residue 137
TYR
Atom CG2 of residue 136
Atom C of residue 136
Atom CG2 of residue 135
Atom OG1 of residue 135
Atom O of residue 135
Atom C of residue 135
Atom CA of residue 135
THR
Atom OH of residue 134
Atom CE2 of residue 134
Atom CE1 of residue 134
Atom CG of residue 134
Atom CB of residue 134
Atom O of residue 134
TYR
Atom O of residue 133
Atom C of residue 133
ALA
Atom CD of residue 132
Atom C of residue 132
GLU
Atom N of residue 132
Atom CB of residue 131
Atom C of residue 131
ALA
Atom N of residue 131
Atom NE2 of residue 130
Atom OE1 of residue 130
Atom CD of residue 130
Atom CB of residue 130
Atom CA of residue 130
GLN
Atom N of residue 130
Atom CB of residue 129
Atom O of residue 129
ALA
Atom CG of residue 128
Atom O of residue 128
Atom CB of residue 127
Atom N of residue 127
Atom CG of residue 126
Atom CB of residue 126
Atom OD1 of residue 124
ASN
Atom CD of residue 123
Atom CG of residue 123
PRO
Atom CA of residue 122
Atom N of residue 122
Atom ND2 of residue 121
Atom CG of residue 121
Atom CA of residue 121
ASN
Atom CG of residue 120
Atom CA of residue 120
LEU
Atom CG of residue 119
Atom N of residue 119
Atom OE1 of residue 118
Atom CD of residue 118
Atom CG of residue 118
Atom O of residue 118
Atom C of residue 118
GLU
Atom CD of residue 117
Atom CG of residue 117
Atom CB of residue 117
Atom O of residue 117
Atom CD1 of residue 116
Atom CG1 of residue 116
Atom CB of residue 116
Atom O of residue 116
Atom C of residue 116
Atom CA of residue 116
ILE
Atom O of residue 115
Atom N of residue 115
Atom CD2 of residue 114
Atom CD1 of residue 114
Atom CB of residue 114
Atom C of residue 114
Atom CA of residue 114
LEU
Atom N of residue 114
Atom CD2 of residue 113
Atom CB of residue 113
Atom N of residue 113
Atom CD1 of residue 112
Atom CG2 of residue 112
Atom CG1 of residue 112
Atom CB of residue 112
Atom O of residue 112
Atom CA of residue 112
Atom NE2 of residue 111
Atom CD of residue 111
Atom CG of residue 111
Atom CB of residue 111
Atom C of residue 111
Atom CA of residue 111
GLN
Atom N of residue 111
Atom CD of residue 110
Atom CG of residue 110
Atom CB of residue 110
Atom C of residue 110
Atom CA of residue 110
LYS
Atom CD1 of residue 109
Atom CG2 of residue 109
Atom O of residue 109
Atom C of residue 109
ILE
Atom OG1 of residue 108
Atom O of residue 108
Atom C of residue 108
Atom CA of residue 108
THR
Atom CG2 of residue 107
Atom CG1 of residue 107
Atom CB of residue 107
Atom C of residue 107
ILE
Atom C of residue 106
Atom CA of residue 106
Atom O of residue 105
Atom NH1 of residue 104
Atom CZ of residue 104
Atom NE of residue 104
Atom CD of residue 104
Atom CG of residue 104
Atom CB of residue 104
Atom O of residue 104
Atom C of residue 104
ARG
Atom N of residue 104
Atom CH2 of residue 103
Atom CZ3 of residue 103
Atom CZ2 of residue 103
Atom CE3 of residue 103
Atom NE1 of residue 103
Atom CD2 of residue 103
Atom CD1 of residue 103
Atom CG of residue 103
Atom CB of residue 103
Atom O of residue 103
Atom OD1 of residue 102
Atom CG of residue 102
Atom CB of residue 102
Atom O of residue 102
ASP
Atom N of residue 102
Atom NZ of residue 101
Atom CD of residue 101
Atom CG of residue 101
Atom CB of residue 101
Atom C of residue 101
Atom CA of residue 101
LYS
Atom N of residue 101
Atom OD2 of residue 100
Atom CB of residue 100
Atom O of residue 100
Atom C of residue 100
Atom CA of residue 100
ASP
Atom N of residue 100
Atom CD of residue 99
Atom CG of residue 99
GLU
Atom N of residue 99
Atom OE2 of residue 98
Atom CD of residue 98
Atom CG of residue 98
Atom CB of residue 98
Atom O of residue 98
GLU
Atom CD1 of residue 97
Atom CG of residue 97
LEU
Atom CG2 of residue 96
Atom CB of residue 96
Atom O of residue 96
Atom C of residue 96
Atom N of residue 96
Atom CB of residue 95
Atom O of residue 95
Atom C of residue 95
Atom CA of residue 95
SER
Atom CD2 of residue 94
Atom CD1 of residue 94
Atom CB of residue 94
Atom O of residue 94
Atom C of residue 94
LEU
Atom N of residue 94
Atom O of residue 93
Atom C of residue 93
CYS
Atom CG2 of residue 92
Atom CG1 of residue 92
Atom C of residue 92
VAL
Atom CG2 of residue 91
Atom OG1 of residue 91
Atom CB of residue 91
THR
Atom C of residue 90
Atom CA of residue 90
Atom OG of residue 89
Atom O of residue 89
Atom CA of residue 89
SER
Atom N of residue 89
Atom CD of residue 88
Atom CG of residue 88
Atom CB of residue 88
Atom O of residue 88
Atom N of residue 88
Atom OH of residue 87
Atom CB of residue 87
Atom O of residue 87
Atom C of residue 87
Atom CA of residue 87
Atom CG1 of residue 86
Atom CB of residue 86
Atom C of residue 86
Atom CA of residue 85
ASN
Atom CA of residue 84
Atom NE2 of residue 83
Atom CD2 of residue 83
Atom N of residue 83
Atom CZ of residue 82
Atom CE1 of residue 82
Atom CD2 of residue 82
Atom CG of residue 82
Atom CB of residue 82
Atom O of residue 82
Atom C of residue 82
Atom CA of residue 82
PHE
Atom N of residue 82
Atom CD2 of residue 81
Atom CD1 of residue 81
Atom CA of residue 81
LEU
Atom N of residue 81
Atom CG of residue 80
Atom CB of residue 80
Atom C of residue 80
Atom CA of residue 80
Atom CG of residue 79
Atom CB of residue 79
Atom O of residue 79
Atom C of residue 79
Atom CA of residue 79
PRO
Atom OE2 of residue 78
Atom OE1 of residue 78
Atom CD of residue 78
Atom CG of residue 78
Atom C of residue 78
GLU
Atom CZ of residue 77
Atom CE2 of residue 77
Atom CD2 of residue 77
Atom CD1 of residue 77
Atom CG of residue 77
Atom CB of residue 77
Atom O of residue 77
Atom C of residue 77
Atom CA of residue 77
PHE
Atom N of residue 77
Atom CE of residue 76
Atom CB of residue 76
Atom C of residue 76
Atom CA of residue 76
LYS
Atom CA of residue 75
LYS
Atom N of residue 74
Atom CD of residue 73
Atom CG of residue 73
Atom O of residue 73
Atom CA of residue 73
PRO
Atom N of residue 73
Atom CG of residue 72
Atom CA of residue 72
PRO
Atom N of residue 72
Atom OG of residue 71
Atom N of residue 71
Atom OG of residue 70
Atom CB of residue 70
Atom O of residue 70
Atom C of residue 70
Atom CA of residue 70
SER
Atom CD of residue 69
Atom O of residue 69
PRO
Atom CE2 of residue 68
Atom CE1 of residue 68
Atom CD1 of residue 68
Atom CG of residue 68
Atom CB of residue 68
Atom O of residue 68
Atom N of residue 68
Atom OD2 of residue 67
Atom OD1 of residue 67
Atom CG of residue 67
Atom O of residue 67
Atom C of residue 67
Atom CA of residue 67
ASP
Atom OD2 of residue 66
Atom OD1 of residue 66
Atom CG of residue 66
Atom CB of residue 66
Atom O of residue 66
Atom NZ of residue 65
Atom CE of residue 65
Atom CB of residue 65
Atom O of residue 65
Atom C of residue 65
Atom CA of residue 65
LYS
Atom N of residue 65
Atom CZ of residue 64
Atom CD2 of residue 64
Atom CD1 of residue 64
Atom CG of residue 64
Atom O of residue 64
Atom C of residue 64
PHE
Atom N of residue 64
Atom CD2 of residue 63
Atom CD1 of residue 63
Atom CG of residue 63
Atom CB of residue 63
Atom O of residue 63
Atom CA of residue 63
LEU
Atom CE of residue 62
Atom CB of residue 62
Atom O of residue 62
Atom C of residue 62
MET
Atom N of residue 62
Atom NH2 of residue 61
Atom CZ of residue 61
Atom NE of residue 61
Atom CG of residue 61
Atom O of residue 61
Atom C of residue 61
Atom CA of residue 61
Atom CD2 of residue 60
Atom CG of residue 60
Atom CB of residue 60
Atom O of residue 60
Atom C of residue 60
Atom N of residue 60
Atom CE of residue 59
Atom CD of residue 59
Atom CG of residue 59
Atom CB of residue 59
Atom O of residue 59
Atom N of residue 59
Atom CE1 of residue 58
Atom CD2 of residue 58
Atom CD1 of residue 58
Atom CG of residue 58
Atom O of residue 58
Atom N of residue 58
Atom CD2 of residue 57
Atom CD1 of residue 57
Atom O of residue 57
Atom C of residue 57
Atom CA of residue 57
LEU
Atom N of residue 57
Atom O of residue 56
Atom CA of residue 56
Atom O of residue 55
Atom N of residue 55
Atom OE2 of residue 54
Atom CD of residue 54
Atom CG of residue 54
Atom CB of residue 54
Atom O of residue 54
Atom C of residue 54
Atom CA of residue 54
Atom CZ3 of residue 53
Atom CZ2 of residue 53
Atom CE3 of residue 53
Atom CE2 of residue 53
Atom NE1 of residue 53
Atom CD2 of residue 53
Atom CD1 of residue 53
Atom CG of residue 53
Atom CB of residue 53
Atom O of residue 53
Atom C of residue 53
Atom CA of residue 53
TRP
Atom N of residue 53
Atom CD of residue 52
Atom CG of residue 52
Atom CB of residue 52
Atom CG2 of residue 51
Atom CB of residue 51
Atom O of residue 51
Atom C of residue 51
Atom CA of residue 51
THR
Atom N of residue 51
Atom O of residue 50
Atom C of residue 50
Atom CA of residue 50
GLY
Atom N of residue 50
Atom CB of residue 49
Atom O of residue 49
LYS
Atom CE of residue 48
Atom CG of residue 48
Atom O of residue 48
Atom C of residue 48
Atom CA of residue 48
LYS
Atom N of residue 48
Atom O of residue 47
Atom C of residue 47
Atom CA of residue 47
GLY
Atom N of residue 47
Atom CD of residue 46
Atom CG of residue 46
Atom O of residue 46
Atom C of residue 46
Atom CA of residue 46
PRO
Atom N of residue 46
Atom CG2 of residue 45
Atom CG1 of residue 45
Atom CB of residue 45
Atom C of residue 45
Atom CA of residue 45
ILE
Atom N of residue 45
Atom CB of residue 44
Atom O of residue 44
Atom CA of residue 44
Atom SG of residue 43
Atom O of residue 43
Atom C of residue 43
Atom CA of residue 43
CYS
Atom N of residue 43
Atom OE1 of residue 42
Atom CD of residue 42
Atom O of residue 42
Atom C of residue 42
Atom CA of residue 42
GLU
Atom N of residue 42
Atom CH2 of residue 41
Atom CZ3 of residue 41
Atom CZ2 of residue 41
Atom CD2 of residue 41
Atom CG of residue 41
Atom CB of residue 41
Atom O of residue 41
Atom C of residue 41
TRP
Atom N of residue 41
Atom ND2 of residue 40
Atom CB of residue 40
Atom C of residue 40
Atom CA of residue 40
ASN
Atom SD of residue 39
Atom CG of residue 39
Atom O of residue 39
Atom CA of residue 39
Atom CD2 of residue 38
Atom CD1 of residue 38
Atom CG of residue 38
Atom O of residue 38
Atom C of residue 38
Atom CA of residue 38
LEU
Atom ND2 of residue 37
Atom OD1 of residue 37
Atom CA of residue 37
Atom N of residue 37
Atom CE of residue 36
Atom SD of residue 36
Atom CG of residue 36
Atom CB of residue 36
Atom O of residue 36
Atom C of residue 36
Atom CA of residue 36
MET
Atom N of residue 36
Atom CG2 of residue 35
Atom OG1 of residue 35
Atom O of residue 35
Atom CA of residue 35
Atom N of residue 35
Atom O of residue 34
Atom CA of residue 34
GLY
Atom CA of residue 32
PRO
Atom CG of residue 31
Atom C of residue 31
Atom N of residue 31
Atom NZ of residue 30
Atom CE of residue 30
Atom CG of residue 30
Atom CB of residue 30
Atom O of residue 30
Atom C of residue 30
LYS
Atom OG1 of residue 29
Atom O of residue 29
THR
Atom N of residue 29
Atom CB of residue 28
Atom C of residue 28
PRO
Atom CG1 of residue 27
Atom CA of residue 27
Atom N of residue 27
Atom CB of residue 26
Atom C of residue 26
Atom CA of residue 26
ALA
Atom CB of residue 25
Atom CA of residue 25
Atom CE2 of residue 24
Atom CE1 of residue 24
Atom CD2 of residue 24
Atom CD1 of residue 24
Atom CB of residue 24
Atom N of residue 24
Atom O of residue 23
GLY
Atom O of residue 22
Atom N of residue 22
Atom CG of residue 21
Atom NE2 of residue 20
Atom ND1 of residue 20
Atom CG of residue 20
Atom O of residue 20
Atom C of residue 20
Atom CA of residue 20
HIS
Atom C of residue 19
Atom CA of residue 19
ASP
Atom N of residue 19
Atom CB of residue 18
Atom O of residue 18
Atom C of residue 18
LYS
Atom NH1 of residue 17
Atom NE of residue 17
Atom CG of residue 17
Atom CB of residue 17
Atom C of residue 17
Atom CA of residue 17
ARG
Atom CZ3 of residue 16
Atom CZ2 of residue 16
Atom CE3 of residue 16
Atom CE2 of residue 16
Atom CD2 of residue 16
Atom CG of residue 16
Atom CB of residue 16
Atom O of residue 16
Atom C of residue 16
Atom CA of residue 16
Atom N of residue 16
Atom CB of residue 15
Atom O of residue 15
Atom C of residue 15
ALA
Atom N of residue 15
Atom NZ of residue 14
Atom CD of residue 14
Atom CB of residue 14
Atom C of residue 14
Atom CA of residue 14
Atom N of residue 14
Atom NH1 of residue 13
Atom CZ of residue 13
Atom CG of residue 13
Atom CB of residue 13
Atom O of residue 13
Atom CA of residue 13
Atom N of residue 13
Atom OE2 of residue 12
Atom CG of residue 12
Atom CB of residue 12
Atom C of residue 12
Atom OE1 of residue 11
Atom C of residue 11
Atom CA of residue 11
GLN
Atom N of residue 11
Atom CB of residue 10
Atom C of residue 10
Atom CD2 of residue 9
Atom CG of residue 9
Atom O of residue 9
Atom CA of residue 9
Atom NH1 of residue 8
Atom NE of residue 8
Atom CG of residue 8
Atom O of residue 8
Atom C of residue 8
Atom CA of residue 8
ARG
Atom N of residue 8
Atom CB of residue 7
Atom N of residue 7
Atom CD2 of residue 6
Atom CG of residue 6
Atom O of residue 6
Atom CA of residue 6
LEU
Atom C of residue 5
Atom N of residue 5
Atom CD1 of residue 4
Atom CG2 of residue 4
Atom CB of residue 4
Atom CA of residue 4
ILE
Atom N of residue 4
Atom CA of residue 3
GLY
Atom N of residue 3
Atom O of residue 2
Atom CA of residue 2
SER
1z5s_A.pdb
Model 49
SampledDensityMap86
VAL
TYR
Atom CA of residue 585
Atom CA of residue 584
THR
GLN
SER
Atom CA of residue 579
HIS
ALA
Atom CA of residue 573
SER
Atom CA of residue 571
LEU
Atom CA of residue 569
Atom CA of residue 568
ASN
PRO
LYS
Atom CA of residue 565
VAL
Atom CA of residue 563
PHE
Atom CA of residue 562
LEU
Atom CA of residue 560
LEU
Atom CA of residue 558
Atom CA of residue 557
LEU
Atom CA of residue 552
PHE
Atom CA of residue 551
TYR
Atom CA of residue 550
ASP
Atom CA of residue 549
GLN
Atom CA of residue 547
VAL
Atom CA of residue 546
MET
Atom CA of residue 545
Atom CA of residue 544
Atom CA of residue 543
Atom CA of residue 542
ALA
MET
Atom CA of residue 540
PRO
Atom CA of residue 538
Atom CA of residue 537
Atom CA of residue 536
LEU
Atom CA of residue 535
ASN
Atom CA of residue 534
Atom CA of residue 533
ILE
Atom CA of residue 532
ALA
Atom CA of residue 531
LYS
Atom CA of residue 530
Atom CA of residue 529
LYS
Atom CA of residue 528
ASP
Atom CA of residue 527
Atom CA of residue 526
SER
Atom CA of residue 525
LYS
Atom CA of residue 524
LEU
Atom CA of residue 523
LEU
GLY
Atom CA of residue 521
Atom CA of residue 520
HIS
VAL
Atom CA of residue 518
LEU
Atom CA of residue 513
PHE
Atom CE of residue 39
THR
Atom CA of residue 511
ASN
Atom CA of residue 510
SER
Atom CA of residue 509
ASN
Atom CA of residue 508
Atom CA of residue 506
SER
Atom CA of residue 505
SER
Atom CA of residue 504
ASN
PHE
ALA
Atom CA of residue 501
Atom CA of residue 500
GLN
Atom CA of residue 499
MET
Atom CA of residue 498
LEU
ALA
Atom CA of residue 496
ASP
Atom CA of residue 495
VAL
Atom CA of residue 494
ALA
Atom CA of residue 493
Atom CA of residue 492
GLN
Atom CA of residue 491
VAL
ALA
Atom CA of residue 489
MET
ARG
Atom CA of residue 487
VAL
THR
ALA
ASP
Atom CA of residue 482
LYS
VAL
Atom CA of residue 479
SER
Atom CA of residue 477
VAL
LYS
Atom CA of residue 475
LEU
Atom CA of residue 474
PHE
ALA
Atom CA of residue 472
SER
Atom CA of residue 471
Atom CA of residue 470
VAL
Atom CA of residue 469
LYS
Atom CA of residue 468
GLU
Atom CA of residue 467
PRO
Atom CA of residue 466
Atom CA of residue 465
Atom CA of residue 464
THR
THR
GLN
GLN
Atom CA of residue 459
ALA
ILE
LEU
VAL
Atom CA of residue 454
SER
Atom CA of residue 453
LYS
Atom CA of residue 452
PRO
Atom CA of residue 451
GLY
Atom CA of residue 450
LEU
Atom CA of residue 449
Atom CA of residue 448
Atom CA of residue 447
Atom CA of residue 446
Atom CA of residue 445
Atom CA of residue 444
Atom CA of residue 443
Atom CA of residue 442
Atom CA of residue 441
PHE
Atom CA of residue 440
Atom CA of residue 439
LEU
Atom CA of residue 438
PHE
THR
SER
Atom CA of residue 435
VAL
Atom CA of residue 434
Atom CA of residue 433
Atom OXT of residue 587
Atom CG2 of residue 587
Atom CG1 of residue 587
Atom CB of residue 587
Atom O of residue 587
Atom CA of residue 587
Atom N of residue 587
Atom CB of residue 586
Atom CA of residue 586
Atom OH of residue 585
Atom CZ of residue 585
Atom CE2 of residue 585
Atom CD2 of residue 585
Atom CD1 of residue 585
Atom CG of residue 585
Atom O of residue 585
Atom C of residue 585
Atom CA of residue 585
TYR
Atom N of residue 585
Atom CD2 of residue 584
Atom CB of residue 584
Atom O of residue 584
Atom C of residue 584
Atom CA of residue 584
Atom N of residue 584
Atom CG2 of residue 583
Atom OG1 of residue 583
Atom O of residue 583
Atom C of residue 583
Atom CA of residue 583
THR
Atom N of residue 583
Atom NE2 of residue 582
Atom OE1 of residue 582
Atom CD of residue 582
Atom CG of residue 582
Atom C of residue 582
Atom CA of residue 582
Atom CD2 of residue 581
Atom CG of residue 581
Atom CB of residue 581
THR
Atom C of residue 581
Atom CD2 of residue 580
Atom CG of residue 580
Atom N of residue 580
Atom C of residue 579
Atom CA of residue 579
SER
Atom CE of residue 76
Atom O of residue 578
Atom C of residue 578
Atom N of residue 578
THR
Atom NH2 of residue 577
Atom CZ of residue 577
Atom NE of residue 577
Atom CG of residue 577
Atom C of residue 577
Atom CA of residue 577
Atom CB of residue 576
Atom CA of residue 576
ALA
Atom CZ of residue 575
Atom CE1 of residue 575
Atom CG of residue 575
Atom C of residue 575
Atom CA of residue 44
Atom CA of residue 575
GLN
PHE
Atom N of residue 575
GLU
Atom OG of residue 574
TYR
Atom CB of residue 574
VAL
Atom C of residue 574
Atom CA of residue 574
SER
Atom CB of residue 573
Atom O of residue 573
Atom CA of residue 573
Atom CA of residue 495
Atom CB of residue 572
Atom CA of residue 494
Atom C of residue 572
Atom C of residue 56
Atom CA of residue 493
SER
Atom O of residue 569
Atom OG of residue 568
Atom C of residue 568
Atom N of residue 568
Atom N of residue 567
Atom CG of residue 566
Atom NZ of residue 565
Chain B
LYS
Atom OG1 of residue 564
mol_0 rigid body
Atom N of residue 564
Atom CG2 of residue 563
Atom CZ of residue 562
Atom N of residue 561
Atom CB of residue 558
Atom O of residue 558
Atom CG of residue 557
Atom CA of residue 557
Atom N of residue 557
PRO
Atom CB of residue 556
Atom N of residue 556
VAL
Atom CD2 of residue 555
Atom O of residue 555
Atom CD of residue 76
Atom N of residue 555
AccumulateRigidBodyDerivatives0
Atom C of residue 554
VAL
Atom CA of residue 554
ALA
Atom N of residue 554
Atom CB of residue 553
Atom O of residue 553
Atom C of residue 553
LYS
Atom CG of residue 552
Model 51
Atom CB of residue 552
Atom O of residue 552
Atom O of residue 490
Atom CZ of residue 551
ARG
Atom CA of residue 490
Atom CE1 of residue 551
Atom O of residue 115
Atom CA of residue 233
Atom CD2 of residue 551
Atom CB of residue 551
Atom O of residue 116
Atom C of residue 551
PRO
GLU
Atom CA of residue 551
PHE
Atom N of residue 551
Atom OH of residue 550
PRO
Atom CZ of residue 550
Atom CE2 of residue 550
Atom CD1 of residue 550
VAL
Atom CG of residue 550
Atom CB of residue 550
Atom CA of residue 22
SER
Atom C of residue 550
Atom CA of residue 550
Atom CA of residue 21
TYR
Atom OD1 of residue 549
Atom CG of residue 549
Atom CA of residue 18
PHE
Atom CB of residue 549
Atom CA of residue 219
Atom O of residue 549
Atom N of residue 549
Atom CD of residue 548
Atom CB of residue 548
Atom CA of residue 59
Atom C of residue 548
Atom CA of residue 58
GLN
Atom OG1 of residue 14
Atom N of residue 548
Atom OE1 of residue 547
SER
Atom SD of residue 545
Atom C of residue 545
VAL
ARG
Atom NE2 of residue 544
Atom N of residue 544
Atom OD1 of residue 543
Atom CB of residue 543
Atom O of residue 543
Atom CA of residue 127
Atom C of residue 543
Atom CA of residue 543
Atom CD2 of residue 542
Atom CD1 of residue 542
Atom O of residue 542
Atom C of residue 542
ALA
LEU
Atom C of residue 541
ALA
Atom SD of residue 540
Atom CG of residue 540
Atom CB of residue 540
Atom O of residue 540
Atom CD1 of residue 539
LEU
Atom CG of residue 539
Atom CB of residue 539
Atom C of residue 539
Atom CA of residue 539
Atom CA of residue 108
Atom N of residue 539
Atom O of residue 538
Atom CA of residue 90
Atom CA of residue 538
Atom CA of residue 58
Atom N of residue 538
GLY
Atom N of residue 537
Atom OH of residue 536
HIS
Atom CD2 of residue 536
Atom CA of residue 83
Atom CD1 of residue 536
Atom O of residue 536
Atom C of residue 536
Atom CD of residue 157
Atom CA of residue 536
TYR
Atom CD1 of residue 535
LYS
Atom CG of residue 535
Atom CB of residue 535
Atom C of residue 535
Atom OE1 of residue 54
Atom CB of residue 569
Atom CA of residue 535
LEU
Atom N of residue 535
Atom ND2 of residue 534
Atom O of residue 567
Atom CG of residue 534
Atom O of residue 534
Atom O of residue 533
ALA
Atom N of residue 533
Atom CD1 of residue 532
Atom CG2 of residue 532
Atom CG1 of residue 532
Atom CA of residue 531
ALA
Atom N of residue 531
Atom CA of residue 530
Atom CG2 of residue 529
Atom N of residue 529
Atom CA of residue 46
Atom C of residue 528
Atom CA of residue 528
Atom OD1 of residue 527
VAL
Atom CA of residue 527
ASP
Atom CD of residue 526
Atom CG of residue 526
Atom CA of residue 36
Atom O of residue 526
Atom C of residue 526
Atom CA of residue 526
ASP
Atom O of residue 525
Atom C of residue 525
Atom CD of residue 524
Atom CB of residue 524
Atom C of residue 524
Atom CA of residue 524
Atom CB of residue 147
LYS
Atom N of residue 524
VAL
PRO
Atom CB of residue 523
Atom O of residue 523
Atom N of residue 523
GLU
Atom CD1 of residue 522
Atom CG of residue 522
Atom CB of residue 522
Atom O of residue 522
Atom C of residue 522
Atom CA of residue 522
Atom O of residue 521
Atom CA of residue 521
GLY
SER
Atom CE of residue 520
ALA
Atom CG of residue 520
LEU
Atom O of residue 520
Atom N of residue 520
Atom NE2 of residue 519
Atom CE1 of residue 519
Atom O of residue 519
Atom CA of residue 2684
Atom CA of residue 519
Atom N of residue 519
Atom CG2 of residue 518
Atom C of residue 518
Atom CA of residue 518
Atom CB of residue 517
Atom O of residue 517
Atom N of residue 517
Atom CA of residue 59
Atom CD2 of residue 516
Atom CG of residue 516
LEU
LYS
Atom N of residue 516
Atom N of residue 515
Atom CA of residue 72
ALA
Atom CD1 of residue 513
PRO
Atom CB of residue 513
Atom O of residue 513
Atom CD2 of residue 512
Atom CA of residue 46
Atom CD1 of residue 512
Atom O of residue 512
GLU
Atom C of residue 512
Atom CA of residue 143
Atom CA of residue 512
VAL
PHE
Atom CG2 of residue 511
Atom CB of residue 511
Atom CA of residue 25
Atom O of residue 511
Atom CA of residue 2642
SER
Atom CA of residue 575
Atom N of residue 511
Atom ND2 of residue 510
Atom OD1 of residue 510
Atom O of residue 510
ASN
Atom CA of residue 39
Atom CA of residue 435
Atom N of residue 510
Atom O of residue 509
GLU
Atom C of residue 509
Atom CA of residue 79
Atom CA of residue 509
LYS
SER
Atom CG of residue 508
Atom C of residue 139
Atom C of residue 86
ASP
Atom CB of residue 508
Atom CA of residue 508
Atom CZ of residue 507
Atom CA of residue 119
Atom CE2 of residue 507
Atom C of residue 507
Atom OG of residue 506
Atom C of residue 506
Atom CA of residue 506
GLN
Atom CA of residue 107
Atom CA of residue 505
Atom N of residue 83
ALA
SER
LEU
Atom OG of residue 504
Atom CB of residue 504
ALA
Atom CA of residue 504
SER
Atom N of residue 504
Atom CG of residue 81
Atom CA of residue 539
Atom ND2 of residue 503
Atom CB of residue 80
Atom CD1 of residue 502
Atom CA of residue 80
Atom O of residue 502
Atom C of residue 502
Atom N of residue 502
Atom CA of residue 501
ALA
Atom N of residue 501
Atom NZ of residue 500
Atom CA of residue 559
Atom CD of residue 500
Atom CG of residue 500
Atom CB of residue 500
Atom CG of residue 78
Atom C of residue 500
LYS
Atom CA of residue 80
Atom CA of residue 409
Atom NE2 of residue 499
Atom OE1 of residue 499
Atom CA of residue 518
Atom CD of residue 499
Atom CG of residue 499
Atom C of residue 499
Atom CA of residue 499
GLN
Atom CG of residue 498
Atom CA of residue 23
Atom CB of residue 498
Atom O of residue 498
TYR
Atom C of residue 498
Atom CA of residue 400
P0
Atom CA of residue 498
Atom N of residue 498
Atom CD2 of residue 497
Atom CG of residue 497
Atom CB of residue 497
Atom CA of residue 156
Atom O of residue 497
Atom CA of residue 496
Atom C of residue 495
Atom O of residue 494
Atom C of residue 494
Atom C of residue 39
VAL
VAL
Atom CA of residue 524
Atom CA of residue 493
Atom CA of residue 377
Atom CA of residue 71
Atom OD2 of residue 492
Atom CG of residue 492
Atom NE2 of residue 491
Atom CA of residue 61
Atom OE1 of residue 491
Atom CD of residue 491
THR
Atom O of residue 491
Atom CA of residue 367
PRO
Atom N of residue 491
Atom CA of residue 511
VAL
Atom O of residue 490
Atom CA of residue 490
Atom CB of residue 489
Atom O of residue 489
Atom C of residue 489
Atom C of residue 34
Atom CE of residue 488
Atom O of residue 136
Atom CG of residue 488
Atom CA of residue 119
Atom C of residue 136
Atom CA of residue 351
Atom CB of residue 488
PHE
Atom C of residue 488
Atom CA of residue 551
Atom CA of residue 488
Atom OE2 of residue 571
Atom NH2 of residue 487
Atom O of residue 135
Atom O of residue 33
Atom CZ of residue 487
Atom CG of residue 487
Atom O of residue 487
ARG
ILE
Atom N of residue 487
Atom CG2 of residue 486
Atom CB of residue 485
Atom O of residue 485
Atom CA of residue 485
Atom N of residue 485
PHE
Atom O of residue 484
ALA
Atom CA of residue 135
Atom C of residue 483
Atom CA of residue 483
Atom CB of residue 482
Atom O of residue 482
ALA
Atom C of residue 482
PHE
Atom N of residue 482
MET
Atom NZ of residue 481
Atom CA of residue 98
Atom CD of residue 481
Atom CA of residue 447
Atom N of residue 481
Atom CE2 of residue 480
VAL
Atom CD1 of residue 480
Atom N of residue 106
Atom O of residue 480
Atom CD of residue 105
Atom C of residue 480
Atom CG of residue 105
Atom CA of residue 480
Atom N of residue 105
Atom O of residue 479
VAL
1tdx.pdb
Atom N of residue 479
Atom CB of residue 478
Atom C of residue 477
ASN
Atom CD of residue 118
SER
Atom CA of residue 103
ILE
Atom N of residue 476
ARG
Atom CA of residue 117
Atom CA of residue 475
VAL
LYS
Atom CE2 of residue 473
Atom CD1 of residue 473
Atom C of residue 473
Atom CB of residue 471
SER
Atom CG1 of residue 470
Atom CA of residue 247
Atom CB of residue 470
VAL
Atom N of residue 470
Atom CB of residue 469
Atom O of residue 469
VAL
Atom CG of residue 467
Atom C of residue 467
GLU
Atom N of residue 467
Atom CD of residue 466
Atom CG of residue 466
Atom CA of residue 227
LEU
Atom CB of residue 466
Atom CA of residue 466
PRO
Atom CA of residue 145
Atom CG of residue 465
Atom OG of residue 464
PRO
Atom O of residue 464
Atom CB of residue 463
Atom CB of residue 5
Atom C of residue 463
GLN
Atom CA of residue 152
Atom CA of residue 463
THR
Atom OD1 of residue 462
Atom CA of residue 18
Atom CG of residue 462
Atom CA of residue 28
Atom N of residue 462
Atom CB of residue 461
ILE
Atom CA of residue 461
Atom CA of residue 202
THR
1tdx.pdb
Atom NE2 of residue 460
Atom CE2 of residue 104
Atom OE1 of residue 460
GLN
Atom N of residue 460
Atom CG of residue 459
Atom CA of residue 11
LYS
Atom CB of residue 459
Atom CA of residue 116
Atom O of residue 459
CYS
Atom CB of residue 458
Atom O of residue 458
Atom CA of residue 458
ALA
Atom CB of residue 457
Atom O of residue 457
Atom CG of residue 456
Atom N of residue 101
Atom CB of residue 456
Atom O of residue 456
Atom C of residue 456
LEU
Atom CA of residue 456
Atom N of residue 456
Atom CA of residue 12
P0
Atom CB of residue 455
Atom C of residue 455
Atom CA of residue 455
Atom CA of residue 172
Atom OG of residue 454
Atom CB of residue 454
Atom C of residue 454
Atom CA of residue 454
SER
Atom N of residue 454
Atom O of residue 453
Atom CA of residue 72
Atom O of residue 452
Atom CD of residue 451
Atom CG of residue 451
Atom O of residue 451
P0
Atom C of residue 451
PRO
Atom N of residue 451
Atom CA of residue 33
Atom O of residue 450
Atom C of residue 450
Atom CA of residue 154
DensityMap13
GLY
Atom CD2 of residue 449
GLU
Atom CD1 of residue 449
ALA
Atom CB of residue 449
GLN
Atom O of residue 449
ALA
Atom C of residue 449
Atom CA of residue 449
LEU
Atom N of residue 449
Atom NH2 of residue 448
Atom NH1 of residue 448
Atom CZ of residue 448
Atom CD of residue 448
Atom CG of residue 448
Atom CA of residue 145
Atom O of residue 448
Atom CA of residue 42
Atom C of residue 448
Atom CA of residue 448
Atom O of residue 447
Atom C of residue 447
LEU
Atom CA of residue 581
Atom CA of residue 2645
Atom N of residue 447
Atom CD2 of residue 446
Atom CG of residue 446
Atom O of residue 446
Atom CA of residue 446
Atom CA of residue 14
Atom N of residue 446
Atom NZ of residue 445
Atom CD of residue 445
Atom N of residue 445
GLU
Atom N of residue 444
Atom CA of residue 585
Atom CD of residue 443
GLU
Atom O of residue 443
Atom N of residue 443
Atom OG of residue 442
Atom CA of residue 560
Atom CB of residue 442
GLY
Atom O of residue 442
GLN
Atom CA of residue 216
Atom C of residue 442
LEU
SER
Atom CD of residue 441
Atom CG of residue 441
Atom CB of residue 441
Atom N of residue 441
Atom CE1 of residue 440
Atom CA of residue 551
Atom CD2 of residue 440
ILE
Atom N of residue 440
Atom CB of residue 439
Atom O of residue 439
Atom CA of residue 545
Atom C of residue 439
Atom CA of residue 439
Atom CA of residue 544
ALA
PRO
Atom CD2 of residue 438
Atom CD1 of residue 438
Atom CZ of residue 437
Atom CE1 of residue 437
Atom CD2 of residue 437
Atom CA of residue 555
Atom CD1 of residue 437
Atom CG of residue 437
Atom O of residue 437
Atom C of residue 437
PHE
Atom CB of residue 436
Atom CA of residue 530
Atom O of residue 436
Atom CA of residue 436
Atom CA of residue 551
Atom OG of residue 435
Atom CB of residue 435
Atom CA of residue 20
Atom O of residue 435
Atom N of residue 435
LEU
Atom CG2 of residue 434
ALA
Atom CG1 of residue 434
Atom CB of residue 434
GLU
VAL
Atom N of residue 434
Atom CB of residue 433
Atom CA of residue 535
Atom C of residue 433
LEU
Atom CA of residue 433
Atom N of residue 433
Atom CA of residue 432
Atom CA of residue 113
Atom CG of residue 157
Atom CB of residue 157
Atom CA of residue 532
Atom O of residue 157
Atom C of residue 157
Atom CA of residue 157
Atom N of residue 157
ILE
Atom CA of residue 156
Atom CE2 of residue 155
Atom CG of residue 155
Atom CA of residue 522
Atom O of residue 155
Atom C of residue 155
Atom CD of residue 154
Atom CB of residue 154
Atom O of residue 154
Atom NZ of residue 153
Atom CE of residue 153
PRO
Atom C of residue 153
Atom CA of residue 88
Atom CA of residue 153
TYR
LYS
Atom CA of residue 87
Atom N of residue 153
Atom CB of residue 152
Atom O of residue 152
Atom NE2 of residue 151
Atom CD of residue 151
Atom CG of residue 151
Atom CB of residue 151
Atom C of residue 150
Atom CA of residue 150
Atom CA of residue 495
Atom NE of residue 149
Atom CG of residue 149
Atom O of residue 149
Atom CG2 of residue 148
Atom CA of residue 40
Atom NH2 of residue 147
Atom NE of residue 147
Atom O of residue 147
VAL
Atom C of residue 147
Atom O of residue 88
Atom N of residue 147
Atom NZ of residue 146
Atom CE of residue 146
Atom CA of residue 113
Atom CA of residue 133
Atom CA of residue 146
Atom CD of residue 145
Atom CG of residue 145
Atom CA of residue 96
Atom O of residue 145
Atom NE2 of residue 139
Atom C of residue 145
Atom CA of residue 145
GLU
Atom OH of residue 144
Atom CE1 of residue 144
Atom CG of residue 144
Atom C of residue 144
TYR
Atom CA of residue 86
Atom CA of residue 516
Atom OE2 of residue 143
Atom OE1 of residue 143
Atom CA of residue 468
Atom CD of residue 143
GLN
Atom CG of residue 143
Atom O of residue 143
Atom C of residue 143
GLU
GLU
Atom CG2 of residue 142
Atom CB of residue 142
Atom O of residue 142
Atom NH2 of residue 141
Atom CG of residue 141
Atom CA of residue 134
Atom O of residue 141
Atom C of residue 141
Atom CD of residue 139
Atom CA of residue 139
Atom N of residue 139
Atom CB of residue 138
Atom O of residue 138
mol_3
Atom CA of residue 138
CYS
UpdateRigidBodyMembers14
Atom N of residue 138
Atom CZ of residue 137
Atom CG of residue 137
ARG
Atom CB of residue 137
Atom CA of residue 18
Atom C of residue 137
Atom O of residue 136
Atom CA of residue 136
Atom CA of residue 92
ILE
Atom CA of residue 20
Atom CA of residue 142
Atom CA of residue 91
Atom N of residue 136
ASN
Atom CA of residue 90
Atom CA of residue 70
Atom CG2 of residue 135
Atom CA of residue 118
Atom OG1 of residue 135
LYS
Atom CB of residue 135
Atom O of residue 135
Model 35
Atom C of residue 135
MET
Atom OH of residue 134
Atom CA of residue 583
Atom CZ of residue 134
Atom CA of residue 62
Atom CG of residue 134
Atom CA of residue 60
Atom O of residue 134
Atom CA of residue 59
Atom C of residue 134
ARG
TYR
Atom CA of residue 577
Atom N of residue 134
Atom CB of residue 133
Atom CA of residue 133
Atom CA of residue 574
Atom N of residue 133
Atom OE2 of residue 132
CYS
Atom OE1 of residue 132
GLU
Atom CG of residue 132
Atom O of residue 132
Atom CA of residue 132
Atom O of residue 131
Atom CA of residue 90
Atom C of residue 131
Atom CA of residue 131
Atom CA of residue 89
ALA
GLN
Atom N of residue 131
Atom NE2 of residue 130
Atom CD of residue 130
Atom OE2 of residue 83
LEU
Atom CA of residue 23
Atom CG of residue 130
LEU
Atom CB of residue 130
Atom CD2 of residue 81
Atom O of residue 128
Atom C of residue 128
Atom CE of residue 74
Atom C of residue 127
Atom CA of residue 133
ILE
Atom CA of residue 127
ASP
LEU
Atom N of residue 127
Atom CA of residue 62
Atom NE2 of residue 126
Atom OE1 of residue 126
Atom C of residue 80
Atom CG of residue 126
LEU
Atom CB of residue 126
Atom CA of residue 37
Atom O of residue 126
Atom N of residue 80
Atom CG of residue 73
Atom C of residue 126
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 126
Atom CA of residue 110
GLN
Atom N of residue 126
Atom CD1 of residue 125
PRO
Atom CG2 of residue 125
LEU
Atom CB of residue 72
Atom C of residue 125
Atom CA of residue 53
Atom CA of residue 125
ALA
Atom N of residue 79
ILE
Atom CA of residue 87
Atom N of residue 125
Atom N of residue 72
Atom OD1 of residue 124
Atom OG of residue 71
Atom CG of residue 124
Atom CB of residue 71
Atom CB of residue 124
Atom C of residue 124
ASN
Atom CD of residue 123
Atom CG of residue 123
Atom CB of residue 123
Atom O of residue 123
Atom N of residue 70
Atom CG of residue 122
GLU
Atom CG of residue 121
VAL
Atom N of residue 121
Atom N of residue 120
Atom N of residue 119
Atom CA of residue 93
Atom OE2 of residue 118
Atom C of residue 65
Atom CB of residue 118
Atom CA of residue 118
Atom OE1 of residue 117
Atom CA of residue 64
Atom CD of residue 117
Atom O of residue 117
Atom C of residue 117
Atom CA of residue 497
Atom CA of residue 117
SER
GLN
1z5s_A_fitted.pdb
Atom N of residue 117
Atom CD1 of residue 116
Atom CA of residue 116
HIS
Atom N of residue 116
Atom CA of residue 457
GLY
Atom CA of residue 85
Atom CB of residue 114
Atom CA of residue 439
Atom C of residue 114
Atom CD2 of residue 113
Atom CD1 of residue 113
Atom O of residue 113
ILE
Atom C of residue 113
Atom CD1 of residue 112
ILE
Atom O of residue 112
Atom CA of residue 112
Atom NE2 of residue 111
Atom OE1 of residue 111
Atom CD of residue 111
ARG
GLN
Atom N of residue 111
Atom CE of residue 110
Atom CD of residue 110
Atom C of residue 110
PRO
Atom CA of residue 110
LYS
VAL
Atom CD1 of residue 109
Atom C of residue 109
Atom CA of residue 109
Atom N of residue 109
Atom CG2 of residue 108
Atom OG1 of residue 108
Atom N of residue 9
Atom CB of residue 108
TYR
Atom CA of residue 108
Atom CA of residue 49
Atom N of residue 108
Atom CB of residue 107
Atom CA of residue 42
Atom O of residue 107
Atom C of residue 107
Atom N of residue 107
Atom CB of residue 106
Atom CA of residue 418
Atom C of residue 106
Atom CA of residue 106
Atom CA of residue 37
Atom CA of residue 417
ALA
Atom CA of residue 106
Atom CD of residue 105
Atom CG of residue 105
Atom CA of residue 35
Atom CB of residue 105
Atom N of residue 105
Atom CZ of residue 104
Atom NE of residue 104
Atom CD of residue 104
SER
Atom C of residue 104
Atom CZ3 of residue 103
Atom CA of residue 91
Atom CE2 of residue 103
Atom CA of residue 74
Atom NE1 of residue 103
LYS
Atom CD1 of residue 103
Atom CG of residue 103
Atom CA of residue 526
TRP
Atom CA of residue 62
Atom OD2 of residue 102
Atom OD1 of residue 102
PHE
Chain B
Atom CG of residue 102
Atom CA of residue 137
Atom N of residue 507
Atom CB of residue 102
Atom O of residue 102
Atom C of residue 102
ARG
Atom CA of residue 549
Atom O of residue 506
Atom CA of residue 102
Atom O of residue 113
ASP
Atom N of residue 102
SER
Atom CA of residue 113
Atom NZ of residue 101
Atom CA of residue 83
ILE
Atom C of residue 505
Atom CG of residue 53
Atom O of residue 101
Atom N of residue 101
Atom C of residue 504
Atom CG of residue 100
Atom CB of residue 100
Atom O of residue 100
Atom CA of residue 100
Atom CB of residue 81
Atom OD1 of residue 503
Atom C of residue 111
ASP
Atom CB of residue 503
Atom OE2 of residue 99
Atom CA of residue 81
Atom O of residue 503
rigid bodies list
Atom OE1 of residue 99
Atom CB of residue 99
Atom CA of residue 318
ASN
Atom C of residue 99
Atom CA of residue 118
Atom CA of residue 99
Atom CA of residue 569
Atom CE1 of residue 502
Atom CA of residue 110
GLN
GLU
Atom CB of residue 502
Atom CD of residue 98
Atom CG of residue 98
Atom CB of residue 98
Atom CA of residue 502
Atom O of residue 98
Atom C of residue 98
GLU
Atom CA of residue 98
ASP
Atom CB of residue 501
GLU
Atom CD1 of residue 97
Atom CA of residue 304
Atom CG of residue 97
Atom O of residue 97
Atom C of residue 97
ALA
LEU
Atom CD1 of residue 96
ALA
Atom CG2 of residue 96
Atom CA of residue 100
Atom CG1 of residue 96
Atom O of residue 96
Atom C of residue 96
Atom CA of residue 96
ILE
Atom CA of residue 295
ASN
Atom CB of residue 95
Atom O of residue 95
Atom CG of residue 94
Atom CA of residue 94
Atom C of residue 105
LEU
Atom N of residue 94
Atom CD1 of residue 497
Atom SG of residue 93
Atom O of residue 93
Atom C of residue 93
Atom CA of residue 507
Atom C of residue 497
Atom CA of residue 93
CYS
Atom N of residue 93
Atom CB of residue 92
VAL
Atom C of residue 496
Atom CG of residue 104
Atom O of residue 92
Atom O of residue 91
Atom CZ of residue 103
ARG
Atom C of residue 91
Atom O of residue 90
Atom O of residue 89
Atom C of residue 89
SER
LEU
Atom O of residue 88
Atom N of residue 88
Atom OH of residue 87
Atom CZ of residue 87
Atom CE2 of residue 87
Atom CG of residue 87
Atom CB of residue 87
VAL
Atom O of residue 87
Atom C of residue 87
Atom N of residue 100
Atom CA of residue 87
Atom N of residue 87
Atom CG2 of residue 86
Atom CB of residue 86
Atom CA of residue 53
Atom C of residue 86
ASP
Atom CA of residue 86
Atom CA of residue 52
VAL
Atom N of residue 86
Atom N of residue 85
Atom CD of residue 84
Atom CB of residue 84
Atom C of residue 119
TYR
Atom NE of residue 33
MET
Atom CA of residue 84
PRO
Atom CE1 of residue 83
Atom CA of residue 43
Atom CD2 of residue 83
Atom CA of residue 83
HIS
Atom CZ of residue 82
Atom CE2 of residue 82
Atom CE1 of residue 82
VAL
Atom CB of residue 82
Atom CA of residue 142
Atom CA of residue 51
Atom CD2 of residue 81
Atom C of residue 81
LEU
PRO
Atom C of residue 131
Atom N of residue 484
Atom CD of residue 80
Atom CD2 of residue 116
Atom O of residue 80
ALA
Atom CD1 of residue 116
Atom C of residue 80
PRO
Atom CG of residue 79
Atom O of residue 79
THR
Atom N of residue 79
Atom OE2 of residue 78
GLY
Atom CD of residue 78
Atom CG of residue 78
Atom O of residue 78
Atom N of residue 115
Atom CA of residue 43
Atom N of residue 78
Atom CZ of residue 77
Model 6
Atom CG of residue 77
Atom NZ of residue 76
Atom CE of residue 76
Atom O of residue 76
Atom C of residue 76
Atom CA of residue 76
Atom SG of residue 75
Atom NZ of residue 74
Atom CG of residue 74
LYS
Atom CA of residue 73
PHE
SER
Atom CG of residue 83
Atom N of residue 71
Atom CA of residue 95
Atom OG of residue 70
Atom CA of residue 70
Atom CG of residue 69
PRO
ILE
Atom CA of residue 477
Atom CD1 of residue 68
Atom CG of residue 68
Atom CB of residue 68
Atom O of residue 68
Atom CA of residue 68
Atom CG of residue 80
TYR
Atom CA of residue 80
Atom CG of residue 67
Atom CA of residue 66
Atom CD of residue 78
Atom NZ of residue 65
Atom CA of residue 474
SER
Atom CE of residue 65
ALA
Atom CD1 of residue 64
Atom CA of residue 375
Atom C of residue 64
Atom N of residue 64
Atom CA of residue 25
Atom CB of residue 63
Atom CA of residue 63
Atom CA of residue 2637
Atom CA of residue 37
LEU
Atom CE of residue 62
TYR
ALA
Atom SD of residue 62
MET
Atom CA of residue 34
Atom N of residue 62
Atom CZ of residue 61
Atom CA of residue 19
Atom CA of residue 2661
SER
Atom NE of residue 61
Atom CD of residue 61
Atom CG of residue 61
PHE
Atom C of residue 61
Atom C of residue 60
LEU
LEU
Atom CA of residue 60
GLU
Atom CA of residue 467
Atom CA of residue 146
Atom N of residue 60
Atom CE2 of residue 58
ALA
Atom CG of residue 58
TYR
Atom C of residue 58
Atom CA of residue 134
Atom CA of residue 58
ALA
ALA
Atom CB of residue 57
GLN
Atom O of residue 57
Atom CA of residue 2674
ALA
Atom C of residue 57
ALA
Atom CA of residue 57
Atom C of residue 132
Atom CA of residue 56
Atom N of residue 55
Atom OE1 of residue 54
ARG
Atom O of residue 54
Atom O of residue 66
Atom CA of residue 54
PHE
Atom N of residue 54
Atom CA of residue 114
Atom CG of residue 53
Atom CB of residue 53
Atom CA of residue 114
Atom CA of residue 2655
Atom C of residue 53
Atom CA of residue 113
Atom CA of residue 2654
TRP
Atom N of residue 53
Atom CD of residue 52
Atom CG of residue 52
TYR
Atom N of residue 459
Atom C of residue 52
Atom N of residue 52
Atom CG2 of residue 51
Atom OG1 of residue 51
GLY
Atom CB of residue 51
Atom O of residue 51
Atom CA of residue 51
Atom CA of residue 50
GLY
Atom CA of residue 26
Atom C of residue 49
Atom CA of residue 49
ASP
Atom CD of residue 48
Atom C of residue 48
Atom CD of residue 60
Atom CA of residue 48
Atom C of residue 47
Atom N of residue 47
Atom CD of residue 46
PRO
Atom N of residue 46
rigid bodies list
Atom CD1 of residue 45
ILE
python stream
Atom O of residue 44
Atom SG of residue 43
Atom CB of residue 43
Atom O of residue 43
Atom OE2 of residue 42
Atom OE1 of residue 42
Atom CD of residue 42
Atom CB of residue 42
GLY
Atom CE3 of residue 41
Atom CA of residue 67
Atom CD2 of residue 447
Atom CB of residue 41
ILE
Atom CA of residue 34
Atom CA of residue 39
Atom CD1 of residue 447
Atom O of residue 41
GLN
Atom CA of residue 33
Atom CG of residue 447
Atom C of residue 41
TRP
GLU
Chain B
Atom N of residue 41
Atom O of residue 40
LYS
Atom CA of residue 40
ASN
Atom N of residue 40
Atom CB of residue 559
Atom CA of residue 39
ASP
MET
Atom CA of residue 68
Atom N of residue 39
Atom CD1 of residue 38
Atom CA of residue 281
Atom N of residue 559
Atom CG of residue 38
Atom CD2 of residue 558
Atom CB of residue 38
Atom CD1 of residue 558
Atom O of residue 38
LYS
Atom C of residue 38
Atom CB of residue 558
Atom CA of residue 38
Atom CA of residue 317
Atom N of residue 38
Model 29
Atom O of residue 37
ASN
Atom CG of residue 36
VAL
Atom C of residue 36
Atom CA of residue 469
Atom CA of residue 36
LYS
MET
Atom CA of residue 40
Atom N of residue 36
Atom CA of residue 136
Atom CA of residue 80
Atom CE2 of residue 134
Atom CA of residue 45
Atom CG2 of residue 35
Atom OG1 of residue 35
Atom O of residue 35
Atom CA of residue 37
Atom C of residue 35
Atom CA of residue 35
Atom O of residue 47
Atom N of residue 35
Atom CA of residue 34
Atom CG of residue 33
UpdateRigidBodyMembers16
Atom C of residue 33
ASP
Atom N of residue 33
Atom CD of residue 32
Atom CG of residue 32
Atom CB of residue 32
Atom O of residue 32
Atom C of residue 32
Atom CA of residue 32
Atom CA of residue 38
ASN
TYR
Atom CE2 of residue 550
Atom CD of residue 30
Atom CB of residue 30
Atom O of residue 30
Atom CA of residue 30
Atom CG2 of residue 29
Atom C of residue 29
Atom CA of residue 29
THR
GLY
GLU
Atom N of residue 29
Atom CA of residue 222
Atom CD of residue 28
Fit restraint internal rb map
Atom CG of residue 28
ALA
Atom CA of residue 218
Atom CB of residue 28
Atom N of residue 549
Atom O of residue 28
PHE
Atom C of residue 28
Atom CA of residue 28
PRO
Atom CB of residue 27
Atom CA of residue 176
Atom O of residue 27
TYR
GLY
Atom CB of residue 26
GLN
Atom C of residue 26
Atom CA of residue 26
Atom CE2 of residue 24
GLN
Atom O of residue 24
PHE
Atom CE2 of residue 22
ASN
Atom CD2 of residue 22
Atom CD1 of residue 22
MET
Atom CG of residue 22
Atom CB of residue 22
VAL
Atom CA of residue 13
Atom O of residue 22
Atom CD of residue 21
Atom CA of residue 22
Atom CA of residue 542
Atom CD of residue 21
Atom O of residue 21
Atom C of residue 21
Atom ND1 of residue 20
Atom CG of residue 20
Atom N of residue 535
ALA
Atom O of residue 20
Atom C of residue 20
Atom CA of residue 54
Atom CA of residue 11
Atom CA of residue 20
HIS
Atom CA of residue 4
Atom N of residue 20
Atom CD1 of residue 542
ASP
Atom CA of residue 19
ALA
Atom N of residue 19
Atom CZ of residue 60
Atom CB of residue 18
Atom O of residue 18
LEU
Atom CA of residue 18
Atom CA of residue 69
Atom C of residue 60
Atom NH2 of residue 17
Atom NH1 of residue 17
Atom CD of residue 17
Atom CE of residue 540
Atom CG of residue 17
Atom CB of residue 31
Atom CA of residue 64
Atom O of residue 540
Atom CA of residue 17
Atom N of residue 17
Atom CH2 of residue 16
Atom CA of residue 12
Atom CZ2 of residue 16
ARG
Atom N of residue 124
Atom CE3 of residue 16
Atom CE2 of residue 16
TYR
Atom NE1 of residue 16
Atom CD2 of residue 16
Atom CB of residue 16
Atom CA of residue 16
Atom N of residue 16
Atom O of residue 537
CYS
Atom CA of residue 15
ALA
GLY
Atom NZ of residue 14
Atom CD2 of residue 536
Atom C of residue 14
GLU
Atom CA of residue 271
Atom N of residue 14
Atom NH2 of residue 13
Atom CZ of residue 13
Atom NE of residue 13
Atom C of residue 13
Atom CB of residue 39
Atom CB of residue 12
Atom O of residue 12
Atom CA of residue 12
TYR
GLU
Atom O of residue 23
ARG
Atom N of residue 12
Atom OE1 of residue 11
Atom CD of residue 11
Atom CA of residue 2641
Atom CA of residue 262
Atom CB of residue 11
Atom O of residue 11
GLU
Atom O of residue 10
LEU
ALA
SER
Atom N of residue 10
Atom CD1 of residue 9
Atom CG of residue 9
THR
Atom N of residue 118
Atom CA of residue 80
Atom CB of residue 9
Atom CG of residue 117
Atom O of residue 50
Atom N of residue 9
Atom NE of residue 8
Atom CD of residue 8
ARG
Atom C of residue 7
Atom CA of residue 7
SER
Atom CG of residue 18
Atom CA of residue 323
Atom O of residue 6
Atom C of residue 41
LYS
LEU
Atom N of residue 38
Atom O of residue 5
Atom CA of residue 511
Atom O of residue 4
Atom C of residue 3
Atom CA of residue 3
Atom N of residue 3
Atom CB of residue 36
Atom O of residue 2
Atom CA of residue 83
Atom CA of residue 2
SampledDensityMap83
Atom CA of residue 585
LEU
LEU
Atom CA of residue 489
PHE
Atom CA of residue 488
SER
GLU
Atom ND2 of residue 31
Atom N of residue 523
LEU
Atom CA of residue 581
Atom CA of residue 479
Atom CA of residue 566
LEU
SER
LYS
Atom CA of residue 142
Atom CB of residue 26
VAL
Atom CA of residue 562
LYS
Atom CD of residue 104
ALA
Atom CA of residue 127
Atom CG of residue 104
Atom CA of residue 561
Atom CA of residue 560
LEU
LEU
Atom CA of residue 558
Atom CE1 of residue 519
Atom CA of residue 556
Atom CA of residue 553
PHE
Atom C of residue 19
Atom CA of residue 550
Atom CA of residue 549
Atom OE1 of residue 17
GLN
Atom NH1 of residue 577
Atom O of residue 27
Atom N of residue 115
Atom CA of residue 548
Atom CB of residue 17
GLN
Atom CA of residue 36
Atom CA of residue 547
Atom CA of residue 17
Atom N of residue 518
VAL
Atom CA of residue 132
Atom CA of residue 546
MET
Atom CA of residue 541
MET
SER
Atom C of residue 113
LEU
LEU
PRO
Atom CZ of residue 24
ARG
Atom CA of residue 516
GLY
Atom C of residue 18
Atom CA of residue 537
Atom CZ of residue 22
Atom N of residue 515
Atom CA of residue 530
GLY
LYS
Atom CA of residue 528
SER
Atom CA of residue 525
PRO
Atom CA of residue 131
Atom N of residue 573
LYS
Atom CA of residue 524
LEU
Atom CA of residue 522
Atom N of residue 513
MET
Atom CB of residue 109
Atom CA of residue 26
Atom CD of residue 20
HIS
Atom CA of residue 519
Atom O of residue 8
VAL
Atom CA of residue 518
GLU
LEU
Atom CA of residue 515
THR
Atom CA of residue 514
LEU
Atom O of residue 568
Atom CD2 of residue 12
PHE
Atom CD1 of residue 107
Atom CA of residue 512
Atom O of residue 511
THR
LYS
Atom CA of residue 511
ASN
ASN
SER
ASN
Atom CA of residue 12
GLN
Atom CA of residue 503
Atom O of residue 105
ARG
Atom CA of residue 502
GLN
Atom CA of residue 497
Atom CB of residue 508
GLU
ALA
PHE
ASP
Atom O of residue 17
Atom CA of residue 125
Atom CA of residue 495
VAL
VAL
Atom CA of residue 124
Atom CA of residue 494
SER
ALA
Atom CA of residue 123
Atom CA of residue 493
ALA
ASP
Atom CA of residue 122
Atom CA of residue 492
PHE
GLN
Atom CA of residue 491
VAL
Atom CA of residue 490
Atom CA of residue 489
Atom CA of residue 488
Atom CA of residue 2634
ARG
LYS
GLN
Atom O of residue 507
Atom CA of residue 487
VAL
Atom CA of residue 486
Atom CA of residue 137
Atom CA of residue 485
Atom CA of residue 484
Atom CA of residue 483
Atom CA of residue 478
Atom CA of residue 477
Atom CB of residue 504
Atom CA of residue 476
Atom CA of residue 475
Atom CA of residue 474
ILE
Atom CA of residue 434
Atom CA of residue 473
Atom CA of residue 467
Atom CA of residue 466
Atom CA of residue 41
ILE
Atom CA of residue 464
GLN
GLN
ALA
Atom O of residue 21
Atom CA of residue 458
ILE
Atom CA of residue 457
Atom O of residue 40
LEU
VAL
ILE
Atom C of residue 500
SER
PRO
GLY
Atom CB of residue 8
LEU
Atom CA of residue 2632
Atom CA of residue 447
Atom CG of residue 555
Atom CA of residue 2631
ASN
Atom CA of residue 446
LEU
LYS
PRO
Atom CA of residue 441
Atom CA of residue 49
Atom CA of residue 438
LYS
PHE
Atom N of residue 116
Atom OXT of residue 587
Atom CB of residue 586
Atom CA of residue 66
GLY
Atom O of residue 586
Atom N of residue 56
Atom C of residue 586
Atom CA of residue 586
LYS
Atom OE1 of residue 54
Atom CE1 of residue 585
Atom OG of residue 7
Atom CB of residue 585
Atom CD1 of residue 584
Atom CA of residue 519
Atom CB of residue 5
Atom CA of residue 584
Atom CA of residue 436
LEU
Atom CB of residue 583
LEU
Atom N of residue 583
LEU
Atom CB of residue 582
Atom C of residue 582
Atom CA of residue 582
SER
Atom C of residue 2
Atom NZ of residue 48
Atom CD1 of residue 581
Atom CG of residue 581
Atom CG of residue 48
Atom O of residue 581
Atom N of residue 48
Atom CD1 of residue 580
Atom CG of residue 580
Atom CB of residue 580
Atom C of residue 580
Atom CA of residue 580
LEU
Atom CA of residue 31
Atom CB of residue 579
Atom CA of residue 46
Atom C of residue 579
Atom CA of residue 579
Atom OD2 of residue 51
SER
GLU
Atom N of residue 579
Atom CA of residue 581
Atom CG2 of residue 45
Atom NE2 of residue 578
Atom CA of residue 81
Atom CD2 of residue 578
Atom ND1 of residue 578
Atom CA of residue 25
Atom CB of residue 578
Atom C of residue 578
Atom CA of residue 578
HIS
Atom CA of residue 240
Atom NH1 of residue 577
Atom CA of residue 67
Atom NE of residue 577
Atom CB of residue 577
Atom CA of residue 16
Atom O of residue 577
Atom CB of residue 576
Atom O of residue 576
Atom CA of residue 576
Atom CD1 of residue 575
Atom CG of residue 575
Atom CA of residue 574
Atom CA of residue 552
Atom CD of residue 76
Atom C of residue 573
Atom OG of residue 572
Atom CB of residue 572
PRO
Atom O of residue 572
Atom C of residue 572
ALA
Atom CA of residue 37
Atom CA of residue 572
MET
SER
Atom N of residue 572
Atom OD1 of residue 100
GLN
Atom CB of residue 571
Atom CA of residue 571
Atom CA of residue 114
Atom CA of residue 346
GLU
Atom N of residue 571
LEU
Atom CD1 of residue 570
VAL
Atom CB of residue 570
SampledDensityMap62
Atom CA of residue 570
Atom CA of residue 344
Atom CA of residue 112
LEU
Atom CA of residue 28
Atom N of residue 570
Atom N of residue 100
Atom C of residue 569
HIS
Atom CA of residue 569
Atom CA of residue 118
ALA
Atom OG of residue 568
Atom CE2 of residue 575
Atom CA of residue 538
Atom CA of residue 568
SER
Atom CA of residue 110
Atom CA of residue 342
Atom N of residue 568
ALA
Atom CG of residue 567
Atom NE2 of residue 117
Atom CB of residue 567
LEU
Atom O of residue 567
python stream
NullModifier6
ASN
Atom N of residue 567
Atom CD of residue 566
Atom CG of residue 566
Atom CA of residue 81
Atom CB of residue 566
Atom O of residue 566
Atom N of residue 566
Fit restraint
Atom NZ of residue 565
Atom CE of residue 565
Atom O of residue 565
Model 37
Atom C of residue 565
LYS
Atom CD2 of residue 60
Atom CG2 of residue 564
Atom CG of residue 60
Atom CB of residue 564
Atom CB of residue 60
Atom O of residue 564
Atom C of residue 97
LEU
ARG
Atom N of residue 564
Atom NZ of residue 59
Atom CG1 of residue 563
Atom N of residue 563
Atom CZ of residue 562
Atom CE2 of residue 562
Atom CE1 of residue 58
Atom CG of residue 562
Atom CB of residue 58
ALA
Atom CA of residue 562
Atom N of residue 562
Atom CB of residue 561
Atom N of residue 561
LEU
Atom O of residue 39
Atom CD1 of residue 559
ARG
Atom CA of residue 55
Atom CA of residue 559
GLU
Atom CD of residue 54
Atom CG of residue 558
Atom C of residue 558
Atom CG of residue 37
Atom N of residue 558
Atom CB of residue 37
Atom CD of residue 557
Atom CH2 of residue 53
GLU
Atom CG of residue 557
Atom CZ2 of residue 53
Atom CA of residue 37
Atom O of residue 557
Atom CE3 of residue 53
Atom C of residue 557
PRO
PHE
Atom N of residue 557
Atom O of residue 556
Atom C of residue 556
Atom O of residue 555
Atom N of residue 555
Atom CB of residue 553
Atom O of residue 553
Atom CA of residue 553
Atom CG of residue 552
Atom C of residue 552
Atom CA of residue 66
Atom CA of residue 552
PRO
Atom CA of residue 21
Atom N of residue 552
Atom CZ of residue 551
Atom CE1 of residue 551
Atom CD2 of residue 551
Atom CD1 of residue 551
Atom CA of residue 307
Atom CG of residue 551
Atom CA of residue 551
PHE
Atom CE1 of residue 550
Atom CB of residue 46
Atom CD1 of residue 550
Atom CA of residue 10
Atom CA of residue 550
ALA
TYR
Atom N of residue 550
ARG
Atom CA of residue 80
Atom CB of residue 45
Atom OD1 of residue 549
Atom CG of residue 549
PHE
Atom CB of residue 549
Atom CA of residue 45
Atom O of residue 549
Atom C of residue 549
Atom CD of residue 548
Atom CG of residue 548
GLY
Atom C of residue 548
Atom CA of residue 548
PHE
Atom CA of residue 43
PHE
GLN
Atom CA of residue 27
Atom N of residue 548
Atom CA of residue 83
Atom OE1 of residue 547
Atom CD of residue 547
Atom CA of residue 19
Atom CB of residue 547
LEU
Atom O of residue 547
Atom N of residue 55
Atom CA of residue 42
GLN
Atom CB of residue 546
Atom O of residue 546
Atom CA of residue 546
VAL
GLU
Atom N of residue 546
P2
Atom N of residue 94
Atom N of residue 448
Atom CG of residue 41
Atom SD of residue 545
Atom CG of residue 545
Atom CA of residue 42
Atom CB of residue 545
Atom O of residue 545
Atom C of residue 545
MET
Atom CE1 of residue 544
Atom CD2 of residue 544
Atom ND1 of residue 544
Atom CE of residue 39
Atom CA of residue 2684
Atom CA of residue 544
LYS
HIS
Atom N of residue 544
Atom OD1 of residue 543
Atom CA of residue 432
Atom C of residue 543
TYR
Atom CA of residue 482
Atom CD2 of residue 38
Atom CA of residue 543
ASN
Atom N of residue 543
Atom O of residue 542
Atom C of residue 542
Atom ND2 of residue 37
Atom CA of residue 27
Atom CA of residue 542
Atom CB of residue 541
Atom CA of residue 293
Atom C of residue 541
Atom N of residue 541
Atom CB of residue 17
Atom SD of residue 540
Atom N of residue 32
Atom CB of residue 540
Atom CB of residue 30
Atom CA of residue 284
Atom O of residue 539
Atom O of residue 30
PRO
Atom C of residue 539
LEU
Atom N of residue 30
Atom CD of residue 538
Atom N of residue 34
Atom CZ of residue 29
Atom O of residue 538
Atom OD2 of residue 33
Atom NE of residue 29
Atom C of residue 538
ALA
Atom CA of residue 538
PRO
Atom C of residue 537
Atom CE of residue 14
Atom N of residue 537
PHE
Atom CD of residue 14
Atom OH of residue 536
Atom CZ of residue 536
Atom O of residue 14
Atom CE1 of residue 536
Atom CA of residue 2651
Atom CA of residue 14
Atom CD1 of residue 536
HIS
Atom N of residue 536
Atom CD2 of residue 535
Atom CG of residue 535
PHE
Atom N of residue 31
Atom O of residue 535
Atom C of residue 535
Atom CD1 of residue 26
Atom CA of residue 535
PRO
Atom CA of residue 49
Atom O of residue 129
Atom OD1 of residue 534
Atom OD1 of residue 51
Atom CA of residue 534
Atom CG of residue 128
ASN
Atom N of residue 534
Atom CB of residue 533
Atom O of residue 533
Atom CA of residue 128
LYS
Atom C of residue 533
Atom N of residue 25
ASP
ALA
Atom CA of residue 48
Atom CA of residue 533
Atom N of residue 533
MET
Atom CD1 of residue 532
Atom CG2 of residue 532
Atom CA of residue 21
Atom CB of residue 532
Atom O of residue 47
Atom CA of residue 332
Atom CA of residue 532
Atom CA of residue 331
Atom N of residue 532
Atom CB of residue 46
Atom CB of residue 531
Atom CA of residue 10
Atom CA of residue 259
Atom CA of residue 328
ALA
Atom N of residue 531
Atom CE of residue 530
Atom CA of residue 256
LYS
Atom CB of residue 530
Atom O of residue 530
Atom C of residue 530
LYS
Atom CB of residue 529
Atom CA of residue 38
Atom O of residue 529
Atom CA of residue 18
Atom CA of residue 249
GLY
Atom CG2 of residue 41
Atom N of residue 529
Atom NZ of residue 528
Atom CE of residue 528
Atom CG of residue 528
Atom CA of residue 246
VAL
Atom CB of residue 528
Atom O of residue 40
Atom O of residue 528
Atom CB of residue 39
Atom C of residue 528
Atom CA of residue 14
Atom CA of residue 528
Atom C of residue 39
Atom CD of residue 39
LYS
Atom CA of residue 508
Atom OD2 of residue 527
ASN
Atom N of residue 527
Atom CB of residue 34
Atom CA of residue 543
Atom OE2 of residue 526
Atom OE1 of residue 526
Atom CB of residue 526
Atom O of residue 526
Atom N of residue 526
Atom CB of residue 525
Atom N of residue 34
Atom NZ of residue 524
Atom OD2 of residue 33
Atom CE of residue 524
Atom OD1 of residue 33
Atom CD of residue 524
Atom CG of residue 33
Atom CG of residue 524
Atom O of residue 33
Atom O of residue 524
Atom C of residue 33
Atom C of residue 524
ASP
Atom CA of residue 576
LYS
Atom CD of residue 32
Atom CD2 of residue 523
Atom CB of residue 32
Atom CG of residue 523
Atom OD1 of residue 31
Atom CD2 of residue 522
Atom CD1 of residue 522
Atom CA of residue 147
Atom CB of residue 522
Atom CA of residue 481
Atom O of residue 522
Atom N of residue 522
Atom CA of residue 519
Atom O of residue 521
Atom C of residue 521
Atom CA of residue 521
Atom O of residue 26
Atom N of residue 521
Atom CB of residue 520
GLY
Atom CD2 of residue 519
Atom ND1 of residue 519
Atom CG of residue 519
Atom CB of residue 519
Atom CG1 of residue 518
ASP
Atom C of residue 518
Atom CA of residue 37
Atom CA of residue 462
Atom CA of residue 518
THR
VAL
Atom CA of residue 125
Atom N of residue 17
GLU
Atom CD2 of residue 517
Atom CA of residue 376
ALA
Atom CD1 of residue 517
Atom CG of residue 517
Atom O of residue 517
PRO
Atom C of residue 517
Atom CA of residue 455
ALA
Atom CD1 of residue 516
Atom CA of residue 156
Atom CG of residue 516
Atom C of residue 516
PHE
Atom CA of residue 367
ASP
Atom NH2 of residue 515
Atom CA of residue 165
Atom NE of residue 515
ARG
PHE
Atom C of residue 515
Atom N of residue 23
LYS
ARG
SER
ARG
Atom CD1 of residue 4
Atom CG2 of residue 4
Atom CG2 of residue 514
THR
Atom C of residue 14
Atom N of residue 514
ALA
GLU
THR
Atom CD2 of residue 513
Atom CD1 of residue 513
Atom CA of residue 480
HIS
Atom CB of residue 513
Atom C of residue 513
LEU
LYS
Atom CZ of residue 512
SER
Atom CE2 of residue 512
TYR
Atom O of residue 512
Atom N of residue 512
Atom CB of residue 511
Atom C of residue 511
TYR
Atom CA of residue 511
THR
PRO
Atom N of residue 511
Atom CA of residue 7
Atom ND2 of residue 510
Atom CB of residue 510
Atom N of residue 510
Atom CA of residue 5
Atom OG of residue 509
Atom CA of residue 66
DistancePairScore 0
Atom N of residue 509
Atom CA of residue 65
Atom ND2 of residue 508
Atom C of residue 508
SER
Atom N of residue 508
Atom CD of residue 128
Atom CZ of residue 507
Atom CA of residue 109
Atom CE1 of residue 507
ASP
Atom CD2 of residue 507
Atom CA of residue 42
Atom CD1 of residue 507
Atom CA of residue 568
Atom CG of residue 507
PHE
Atom CB of residue 506
Atom CB of residue 505
PRO
Atom C of residue 505
Atom CA of residue 557
Atom CA of residue 505
Atom CA of residue 47
ALA
SER
Atom CA of residue 504
Chain C
Atom CB of residue 503
Atom O of residue 503
Atom N of residue 503
Atom CE2 of residue 502
SER
Atom CB of residue 502
Atom CA of residue 80
Atom CA of residue 502
Atom N of residue 501
TYR
Atom NZ of residue 500
Atom OD1 of residue 40
Atom CA of residue 457
Atom CE of residue 500
Atom CA of residue 456
Atom CD of residue 500
LYS
Atom CB of residue 500
Atom N of residue 9
Atom CA of residue 80
Atom O of residue 500
Atom N of residue 12
ALA
SER
LYS
Atom CA of residue 81
Atom NE2 of residue 499
Atom CB of residue 499
ASP
Atom C of residue 499
Atom CA of residue 527
LYS
Atom CA of residue 499
LEU
Atom N of residue 499
Atom CA of residue 70
Atom CB of residue 498
Atom O of residue 498
Atom CA of residue 141
Atom C of residue 498
ARG
Atom CA of residue 498
Atom CG of residue 497
Atom C of residue 497
Atom CA of residue 497
Atom CA of residue 90
LEU
Chain D
Atom C of residue 496
Atom NH2 of residue 8
Atom OD2 of residue 495
Atom C of residue 495
Atom CA of residue 59
Atom CA of residue 495
Atom CA of residue 12
PRO
ASP
Atom N of residue 495
Atom CG1 of residue 494
Atom CA of residue 85
Atom O of residue 493
Atom OD2 of residue 492
Atom CA of residue 25
Atom CG of residue 492
Atom CB of residue 492
Atom CA of residue 492
Atom CD of residue 491
Atom C of residue 491
THR
Atom CA of residue 491
Atom CB of residue 565
GLN
Atom O of residue 565
ALA
Atom CA of residue 56
Atom N of residue 491
Atom CA of residue 565
Atom O of residue 139
PRO
Atom CG1 of residue 490
Atom N of residue 552
Atom CB of residue 490
Atom CA of residue 30
Atom CA of residue 35
Atom C of residue 489
Atom CA of residue 489
Atom CA of residue 29
Atom CA of residue 34
ALA
Atom CG of residue 488
PRO
Atom O of residue 488
Atom CA of residue 94
Atom C of residue 488
Atom O of residue 487
Atom C of residue 487
Atom CA of residue 487
Atom CA of residue 6
Atom CB of residue 485
1z5s_C.pdb
Atom CA of residue 485
THR
Atom N of residue 485
Atom CB of residue 484
ARG
Atom CA of residue 484
Atom CA of residue 459
MET
ALA
Atom OE1 of residue 483
Atom O of residue 483
Atom C of residue 483
GLU
Chain C
Atom OD2 of residue 482
Atom CA of residue 142
Atom OD1 of residue 482
Atom CG of residue 482
LYS
Atom CA of residue 450
Atom O of residue 482
Atom CA of residue 482
Atom N of residue 482
Atom CD of residue 481
Atom O of residue 481
ARG
Atom CA of residue 444
Atom C of residue 481
Atom CA of residue 481
Atom CA of residue 443
LYS
Atom N of residue 481
Atom CZ of residue 480
Atom CE2 of residue 480
Atom CA of residue 86
Atom CE1 of residue 480
Atom CD2 of residue 480
Atom C of residue 480
Atom CA of residue 480
PHE
Atom CA of residue 126
Atom CG2 of residue 479
Atom CG1 of residue 479
Atom O of residue 479
Atom CA of residue 180
Atom CA of residue 479
Atom CA of residue 44
Atom OG of residue 478
Atom CB of residue 478
Atom O of residue 478
Atom CA of residue 478
Atom CB of residue 477
ILE
Atom O of residue 477
Atom C of residue 477
Atom CA of residue 477
SER
Atom CG2 of residue 476
Atom CG1 of residue 476
Atom C of residue 476
Atom OG1 of residue 7
LYS
Atom N of residue 476
Atom CA of residue 110
Atom NZ of residue 475
Atom CE of residue 475
SER
Atom O of residue 475
Atom C of residue 475
Atom CA of residue 475
LYS
Atom CD1 of residue 474
Atom O of residue 474
VAL
Atom CA of residue 474
Atom CA of residue 54
Atom CZ of residue 473
Atom CA of residue 52
ALA
Atom CD1 of residue 473
Atom CA of residue 472
Atom N of residue 472
Atom CB of residue 471
Atom N of residue 54
Atom ND2 of residue 140
Atom CA of residue 41
VAL
Atom N of residue 471
Atom CH2 of residue 53
ASP
Atom OD1 of residue 140
Atom CA of residue 73
Atom CG2 of residue 470
GLY
PHE
Atom C of residue 140
Atom C of residue 470
Atom CG2 of residue 469
Atom OE1 of residue 139
Atom CA of residue 2
Atom CG1 of residue 469
Atom CA of residue 35
Atom CB of residue 469
LEU
Atom CG of residue 548
Atom C of residue 469
VAL
Atom CE of residue 468
Atom CG of residue 468
Atom CB of residue 468
Atom CA of residue 468
LYS
Atom OE2 of residue 467
Atom CA of residue 58
Atom CD of residue 467
Atom C of residue 467
GLU
Atom N of residue 467
GLY
Atom CB of residue 466
Atom O of residue 466
Atom C of residue 465
Atom CA of residue 465
GLY
Atom OG of residue 464
Atom CB of residue 464
Atom O of residue 464
Atom C of residue 464
Atom CB of residue 463
PHE
Atom O of residue 463
normalize rigid bodies
LEU
Atom NZ of residue 154
THR
Atom CA of residue 463
Atom CA of residue 114
Atom CA of residue 36
THR
Atom OD2 of residue 462
Atom CG of residue 462
Atom CG of residue 542
Atom C of residue 462
Atom CA of residue 31
Atom CG2 of residue 461
LEU
Atom N of residue 542
Atom CA of residue 2672
VAL
Atom CB of residue 461
Atom CA of residue 75
Atom CB of residue 541
Atom O of residue 461
Atom CD of residue 460
Atom CG of residue 460
Atom CA of residue 5
Atom C of residue 460
Atom CA of residue 460
Atom CA of residue 95
Atom CD of residue 459
Atom CG of residue 459
Atom CB of residue 459
Atom CA of residue 4
Atom CA of residue 18
Atom O of residue 459
Atom CA of residue 2660
Atom C of residue 459
Atom CA of residue 459
Atom CE2 of residue 144
Atom CA of residue 2659
GLN
Atom CB of residue 458
Atom CD1 of residue 457
Atom CG2 of residue 457
Atom C of residue 457
Atom N of residue 457
THR
Atom CD2 of residue 456
Atom CA of residue 2646
Atom CA of residue 456
GLU
Atom CB of residue 455
Atom O of residue 455
Atom C of residue 455
Atom CA of residue 455
Atom CB of residue 454
GLU
Atom O of residue 454
Atom CA of residue 2682
Atom C of residue 454
Atom CA of residue 2681
SER
Atom CB of residue 147
Atom N of residue 454
Atom CD1 of residue 516
Atom N of residue 453
Atom CB of residue 452
GLU
Atom O of residue 452
Atom C of residue 452
Atom CD of residue 451
Atom O of residue 451
Atom C of residue 54
Atom C of residue 451
Atom CD of residue 515
GLU
Atom CA of residue 451
Atom CE3 of residue 53
GLY
Atom CA of residue 155
Atom C of residue 449
Atom CA of residue 449
Atom CG of residue 448
Atom C of residue 448
Atom CD2 of residue 447
Atom CG of residue 447
Atom O of residue 447
ARG
Atom N of residue 447
Atom CB of residue 446
Atom O of residue 446
Atom CA of residue 84
Atom CD of residue 445
Atom CA of residue 568
Atom OE2 of residue 444
Atom NE2 of residue 139
Atom N of residue 87
Atom O of residue 444
Atom OE1 of residue 139
Atom CD2 of residue 86
ASP
Atom C of residue 444
Atom CG of residue 443
Atom OG of residue 442
CYS
GLU
Atom O of residue 442
Atom N of residue 138
GLU
Atom C of residue 442
SER
Atom N of residue 442
GLN
Atom CD of residue 441
Atom O of residue 441
Atom CA of residue 441
Atom CZ of residue 440
Atom CA of residue 14
Atom CE1 of residue 440
Atom CD1 of residue 440
PHE
Atom N of residue 440
Atom CB of residue 439
GLN
Atom CA of residue 439
ALA
Atom CD1 of residue 438
Atom CG of residue 438
Atom CA of residue 438
AccumulateRigidBodyDerivatives18
LEU
Atom CZ of residue 437
Atom CA of residue 568
Atom O of residue 437
Atom CA of residue 437
PHE
Atom N of residue 437
Atom CG2 of residue 436
SER
Atom CB of residue 436
Atom CD of residue 47
Atom CA of residue 89
Atom O of residue 436
Atom C of residue 436
GLU
Atom CA of residue 436
THR
Atom CA of residue 53
Atom N of residue 436
Atom CB of residue 435
Atom C of residue 435
Atom CA of residue 435
SER
Atom O of residue 434
ILE
GLU
Atom N of residue 434
Atom OD2 of residue 433
Atom OD1 of residue 433
Atom CG of residue 433
P2
Atom CA of residue 25
Atom CA of residue 433
Atom CA of residue 80
ASP
Atom N of residue 433
GLU
Atom CA of residue 33
PRO
Atom C of residue 432
Atom CD of residue 468
Atom CA of residue 432
ALA
Atom O of residue 157
Atom C of residue 128
Atom CA of residue 157
PRO
PRO
Atom N of residue 157
Atom N of residue 128
Atom CB of residue 156
Atom OD2 of residue 127
TYR
Atom O of residue 156
Atom CG of residue 127
Atom CA of residue 156
ALA
VAL
Atom CA of residue 395
Atom CE2 of residue 155
Atom CD2 of residue 155
Atom CD of residue 126
Atom CA of residue 392
Atom CB of residue 155
Atom O of residue 155
Atom O of residue 126
Atom CA of residue 586
GLU
Atom CA of residue 155
TYR
PHE
GLN
Atom NZ of residue 154
Atom N of residue 126
Atom CE of residue 154
Atom CG of residue 154
Atom O of residue 125
Atom CA of residue 497
Atom C of residue 154
Atom CA of residue 154
LYS
Atom NZ of residue 153
Atom CA of residue 382
Atom CD of residue 153
Atom CB of residue 153
Atom CA of residue 576
Atom O of residue 153
Atom C of residue 153
Atom NH2 of residue 104
Atom CA of residue 491
Atom CA of residue 153
VAL
LYS
LEU
Atom O of residue 152
Atom C of residue 152
Atom CA of residue 152
Atom CA of residue 164
ALA
VAL
Atom NE2 of residue 151
VAL
Atom CD of residue 151
ASN
Atom CB of residue 151
Atom C of residue 150
PHE
ALA
Atom CA of residue 150
Atom N of residue 150
Atom NH2 of residue 149
Atom CB of residue 507
GLN
Atom NH1 of residue 149
Atom NE of residue 149
Atom CD of residue 149
Atom CG of residue 149
Atom CB of residue 149
Atom O of residue 149
Atom CA of residue 555
Atom N of residue 149
LEU
Atom CA of residue 505
Atom CG2 of residue 148
Atom O of residue 130
Atom CG1 of residue 148
LEU
Atom CB of residue 148
Atom O of residue 148
GLY
Atom CA of residue 43
Atom CZ of residue 550
Atom C of residue 148
LEU
VAL
Atom N of residue 148
Atom NH2 of residue 147
ARG
Atom NH1 of residue 147
Atom CG of residue 550
HIS
Atom NE of residue 147
Atom N of residue 503
Atom CB of residue 147
Atom O of residue 133
Atom O of residue 147
Atom CA of residue 147
ARG
Atom N of residue 147
Atom CA of residue 556
Atom NZ of residue 146
ALA
Atom CD of residue 145
Atom C of residue 145
Atom CZ of residue 144
Atom CE2 of residue 144
Atom O of residue 144
Atom C of residue 144
Atom CA of residue 144
PRO
Atom CB of residue 143
Atom O of residue 143
Atom CA of residue 523
Atom C of residue 143
VAL
PRO
Atom CA of residue 143
Atom O of residue 142
Atom CA of residue 81
Atom NH2 of residue 141
Atom CA of residue 516
PHE
Atom NH1 of residue 141
VAL
ASP
Atom O of residue 141
Atom C of residue 141
Atom CA of residue 141
GLY
Atom ND2 of residue 140
Atom CG of residue 140
Atom O of residue 140
VAL
Atom CZ of residue 125
Atom N of residue 25
Atom N of residue 140
Atom CG of residue 139
Atom C of residue 139
Atom CA of residue 56
Atom CA of residue 139
Atom CB of residue 138
Atom O of residue 123
Atom CE2 of residue 137
Atom CG of residue 137
Atom CA of residue 491
Atom C of residue 137
Atom CA of residue 137
Atom CA of residue 490
TYR
Atom N of residue 137
Atom CD1 of residue 136
HIS
HIS
Atom CB of residue 136
ILE
Atom O of residue 135
Atom N of residue 135
Atom CA of residue 277
Atom OH of residue 134
Atom CE1 of residue 134
Atom CD2 of residue 134
Atom CG of residue 134
Atom O of residue 134
Atom CA of residue 134
Atom CA of residue 133
Atom CA of residue 120
LEU
Atom N of residue 133
Atom OE2 of residue 132
Atom CD of residue 132
Atom O of residue 132
GLU
Atom OE1 of residue 130
LYS
Atom CD of residue 130
Atom N of residue 21
Atom CG of residue 130
LYS
GLN
Atom CA of residue 78
Atom N of residue 130
VAL
THR
Atom CA of residue 129
ALA
Atom CD of residue 128
Atom O of residue 128
Atom C of residue 128
Atom CA of residue 128
Atom CA of residue 68
PRO
Atom OD2 of residue 127
Atom CG of residue 127
GLN
Atom C of residue 127
VAL
Atom CA of residue 127
Atom CB of residue 42
ASP
Atom OE1 of residue 126
Atom CD of residue 126
Atom CG of residue 126
Atom CB of residue 126
Atom O of residue 126
Atom N of residue 126
LEU
Atom CG2 of residue 125
Atom CA of residue 243
ARG
Atom CG1 of residue 125
Atom OG of residue 37
Atom N of residue 125
PHE
Atom ND2 of residue 124
Atom OD1 of residue 124
Atom N of residue 124
Atom CA of residue 231
Atom CB of residue 123
Atom CB of residue 483
Atom C of residue 123
Atom OE2 of residue 122
PHE
Atom OE1 of residue 122
Atom CD of residue 122
Atom CA of residue 122
GLY
Atom OD1 of residue 121
Atom CA of residue 221
Atom OE1 of residue 32
Atom CG of residue 121
Atom CA of residue 121
HIS
Atom CD1 of residue 120
LYS
Atom CD1 of residue 30
Atom O of residue 120
Atom C of residue 120
Atom CA of residue 120
LEU
Atom CD2 of residue 119
Atom CA of residue 486
Atom CB of residue 119
Atom CA of residue 399
Atom N of residue 119
Atom CA of residue 569
Atom OE1 of residue 118
HIS
Atom NE2 of residue 117
VAL
Atom OE1 of residue 117
Atom CD of residue 117
SER
Atom N of residue 520
Atom C of residue 117
VAL
GLN
Atom CA of residue 29
Atom CA of residue 45
LEU
Atom N of residue 117
Atom CG2 of residue 116
Atom CG1 of residue 116
Atom CB of residue 116
GLU
HIS
Atom CA of residue 116
Atom CA of residue 464
Atom C of residue 115
Atom CB of residue 27
Atom CA of residue 463
GLY
Atom CA of residue 503
Atom CD1 of residue 114
Atom CG of residue 114
ASP
Atom N of residue 114
ARG
Atom CD1 of residue 113
PRO
Atom CG of residue 113
Atom CA of residue 355
Atom CB of residue 113
Atom CA of residue 539
Atom CA of residue 113
Atom O of residue 21
Atom CD1 of residue 112
Atom C of residue 112
ILE
Atom N of residue 112
Atom CE of residue 10
Atom CA of residue 148
Atom OE1 of residue 111
Atom CB of residue 111
Atom CB of residue 18
VAL
Atom O of residue 111
ILE
Atom N of residue 111
Atom CE of residue 110
Atom CD of residue 110
Atom CG of residue 110
VAL
Atom CB of residue 110
Atom C of residue 110
Atom CA of residue 138
SER
Atom N of residue 110
Atom CD1 of residue 109
Atom CG2 of residue 109
PHE
Atom C of residue 109
ALA
Atom C of residue 108
THR
Atom N of residue 108
Atom CB of residue 107
Atom C of residue 107
Atom OG1 of residue 7
THR
ILE
Atom CA of residue 106
Atom CA of residue 318
Atom CD of residue 105
Atom CB of residue 105
Atom O of residue 62
LEU
Atom N of residue 105
PHE
Atom C of residue 62
Atom NH2 of residue 104
Atom NH1 of residue 104
Atom CZ of residue 104
Atom NE of residue 104
Atom CH2 of residue 103
Atom CZ2 of residue 103
Atom CB of residue 98
THR
Atom CA of residue 152
Atom N of residue 508
Atom CE3 of residue 103
Atom CE2 of residue 103
Atom OG1 of residue 564
Atom CD1 of residue 103
Atom O of residue 73
Atom C of residue 103
Atom CA of residue 103
TRP
GLY
PRO
Atom CA of residue 44
Atom N of residue 103
LEU
Atom N of residue 73
Atom OD2 of residue 102
Atom O of residue 72
PRO
Atom O of residue 102
Atom CG of residue 101
Atom O of residue 101
Atom C of residue 101
VAL
Atom CA of residue 101
Atom CA of residue 94
Atom CB of residue 70
LYS
Atom CA of residue 83
Atom CA of residue 92
Atom C of residue 70
Atom CA of residue 455
Atom OD2 of residue 100
Atom CG of residue 100
GLN
Atom CB of residue 100
Atom C of residue 100
Atom CA of residue 100
Atom CA of residue 69
Atom OE2 of residue 99
Atom OE1 of residue 99
ARG
Atom CG of residue 99
Atom CZ2 of residue 104
Atom CB of residue 99
Atom N of residue 99
GLU
Atom OE2 of residue 98
Atom OE1 of residue 98
Atom CG2 of residue 86
Atom CA of residue 119
Atom CB of residue 98
Atom N of residue 104
Atom C of residue 98
Atom O of residue 86
Atom CA of residue 98
GLU
Atom N of residue 98
LEU
Atom O of residue 97
Atom C of residue 97
Atom N of residue 97
Atom CD of residue 84
Atom CG1 of residue 96
Atom O of residue 96
Atom C of residue 96
Atom C of residue 84
Atom CA of residue 96
Atom O of residue 78
ALA
Atom CG of residue 65
Atom N of residue 96
Atom N of residue 84
Atom OG of residue 95
Atom ND1 of residue 83
Atom CA of residue 104
Atom CA of residue 95
Atom CA of residue 179
Atom N of residue 95
Atom CG of residue 94
Atom CB of residue 94
Atom CG of residue 64
Atom O of residue 94
Atom CA of residue 94
Atom CA of residue 472
Atom N of residue 94
Atom SG of residue 93
ASP
PHE
Atom CG2 of residue 92
Atom CA of residue 169
Atom CG1 of residue 92
Atom CB of residue 92
Atom O of residue 92
Atom C of residue 92
VAL
Atom CA of residue 470
Atom N of residue 92
Atom CB of residue 91
PRO
Atom O of residue 91
Atom C of residue 91
THR
Atom CA of residue 21
Atom CA of residue 469
Atom N of residue 91
Atom O of residue 90
Atom C of residue 90
ILE
Atom CE of residue 468
GLY
Atom CD of residue 468
Atom N of residue 90
Atom CG of residue 468
Atom OG of residue 89
Atom CA of residue 237
Atom CB of residue 468
Atom CB of residue 89
Atom N of residue 8
Atom C of residue 468
Atom C of residue 89
THR
Atom CA of residue 468
Atom CA of residue 89
Atom C of residue 11
LYS
SER
Atom N of residue 89
Atom OE1 of residue 467
Atom CA of residue 30
Atom CA of residue 55
Atom CG of residue 88
ARG
Atom CA of residue 155
Atom CD of residue 467
Atom CA of residue 54
Atom CB of residue 88
Atom O of residue 467
Atom CA of residue 151
Atom CA of residue 88
Atom OH of residue 87
Atom CE1 of residue 87
Atom C of residue 466
Atom CG of residue 87
Atom CB of residue 87
Atom C of residue 87
Atom CA of residue 87
GLU
Atom OD1 of residue 465
TYR
Atom CG2 of residue 86
Atom CB of residue 146
ALA
VAL
Atom N of residue 86
Atom OD1 of residue 85
Atom N of residue 76
Atom CG of residue 85
Atom CA of residue 99
Atom CB of residue 85
Atom C of residue 75
PRO
Atom CA of residue 85
ASN
Atom N of residue 75
GLU
Chain D
Atom CD of residue 84
ASP
Atom CA of residue 14
Atom CA of residue 84
Atom N of residue 84
LYS
Atom NE2 of residue 83
Atom CA of residue 122
Atom CE1 of residue 83
Atom ND1 of residue 83
Atom CG of residue 83
Atom CA of residue 147
Atom C of residue 83
Atom CA of residue 146
HIS
ASN
Atom N of residue 83
Atom CZ of residue 82
Atom OD2 of residue 88
Atom CG of residue 82
Atom CE2 of residue 53
Atom OD1 of residue 88
Atom CA of residue 113
Atom CB of residue 82
Atom O of residue 82
Atom C of residue 82
Atom O of residue 88
Atom CA of residue 82
PHE
Atom N of residue 82
LEU
Atom CD2 of residue 81
TYR
Atom CD1 of residue 81
Atom CA of residue 81
Atom CB of residue 81
Atom O of residue 81
Atom C of residue 80
Atom CB of residue 79
Atom CD1 of residue 85
Atom O of residue 79
Atom CA of residue 77
Atom C of residue 79
Atom CB of residue 85
GLY
Atom CA of residue 79
Atom CA of residue 75
PRO
Atom OE2 of residue 78
LEU
ASP
Atom OE1 of residue 78
LEU
Atom CA of residue 78
GLU
Atom CA of residue 566
Atom CZ of residue 77
LEU
Atom CE2 of residue 77
Atom CE1 of residue 77
Atom CD1 of residue 77
Atom CA of residue 89
VAL
Atom CG of residue 77
Atom O of residue 77
Atom C of residue 77
LYS
Atom CB of residue 8
PHE
Atom NZ of residue 76
Atom CG of residue 76
GLU
Atom CB of residue 13
Atom CB of residue 76
Atom O of residue 76
LYS
VAL
Atom SG of residue 75
Atom CB of residue 75
Atom O of residue 75
Atom CA of residue 75
Atom CB of residue 44
ASP
Atom N of residue 75
GLN
Atom O of residue 127
Atom NH2 of residue 80
Atom NZ of residue 74
GLN
Atom CD of residue 74
Atom CB of residue 74
Atom O of residue 74
Atom CD of residue 73
Atom CB of residue 73
Atom CG of residue 547
Atom C of residue 73
Atom CA of residue 73
Atom CA of residue 114
Atom N of residue 73
Atom CD of residue 72
Atom CA of residue 88
Atom O of residue 72
LYS
Atom CG1 of residue 546
Atom C of residue 72
Atom CA of residue 72
Atom ND2 of residue 124
PRO
ALA
Atom O of residue 124
Atom O of residue 71
Atom C of residue 71
SER
Atom O of residue 70
Atom C of residue 70
Atom N of residue 77
Atom CA of residue 77
Atom CG of residue 69
Atom CA of residue 69
Atom CB of residue 69
Atom C of residue 69
Atom CA of residue 69
PRO
Atom N of residue 69
Atom OH of residue 68
Atom CZ of residue 68
Atom CE2 of residue 68
Atom CD2 of residue 68
Atom CD1 of residue 68
Atom CB of residue 68
Atom O of residue 68
Atom C of residue 68
Atom CA of residue 68
TYR
Atom OD2 of residue 67
Atom OD1 of residue 67
Atom CG of residue 67
Atom CB of residue 67
Atom O of residue 67
Atom N of residue 542
Atom CA of residue 56
Atom C of residue 67
Atom CA of residue 55
ASP
ALA
Atom OD1 of residue 66
Atom CB of residue 66
Atom O of residue 66
Atom CG of residue 540
PHE
Atom C of residue 66
Atom CA of residue 507
Atom CA of residue 66
Atom N of residue 66
Atom NZ of residue 65
LYS
Atom CD of residue 65
Atom CA of residue 48
Atom CG of residue 65
Atom CB of residue 65
Atom O of residue 65
GLU
Atom CZ of residue 64
SER
ARG
Atom CE1 of residue 64
Atom CD2 of residue 64
Atom CD1 of residue 64
Atom CG of residue 64
Atom CB of residue 64
Atom C of residue 64
Atom CA of residue 64
Atom CD2 of residue 63
ASP
Atom CG of residue 63
Atom O of residue 63
Atom C of residue 63
LEU
Atom N of residue 63
Atom CE of residue 62
Atom SD of residue 62
Atom CA of residue 137
Atom CG of residue 62
Atom CA of residue 136
Atom CB of residue 62
Atom CZ of residue 61
Atom C of residue 43
Atom NZ of residue 30
Atom NE of residue 61
Atom CE of residue 30
Atom CD of residue 61
Atom CG of residue 61
Atom CA of residue 61
Atom CD2 of residue 60
TYR
Atom CD1 of residue 60
Atom CA of residue 91
Atom CG of residue 60
Atom CB of residue 60
PRO
Atom O of residue 60
Atom N of residue 128
Atom C of residue 60
Atom CA of residue 60
ASP
ILE
Atom CB of residue 59
Atom O of residue 59
Atom CA of residue 85
VAL
Atom C of residue 59
Atom CE2 of residue 58
LEU
ALA
Atom CE1 of residue 58
Atom CA of residue 44
Atom N of residue 26
Atom CD2 of residue 58
Atom CG2 of residue 25
Atom CD1 of residue 58
Atom CG1 of residue 25
Atom CG of residue 58
Atom CZ of residue 24
Atom CA of residue 456
Atom CD2 of residue 57
Atom CD1 of residue 57
mol0
Atom CA of residue 44
Atom CE1 of residue 24
Atom CG of residue 57
Atom CD2 of residue 24
Atom CB of residue 57
Atom CD1 of residue 24
Atom O of residue 57
Atom C of residue 57
Atom CB of residue 24
ARG
Atom CA of residue 57
Atom N of residue 61
LEU
Atom CA of residue 587
Atom N of residue 57
VAL
Atom N of residue 24
Atom CA of residue 56
Atom CZ of residue 22
Atom O of residue 55
Atom C of residue 55
Atom OH of residue 585
GLY
Atom N of residue 55
Atom OE2 of residue 54
Atom CD2 of residue 585
VAL
Atom CD of residue 54
Atom CA of residue 530
Atom CD1 of residue 585
Atom CG of residue 54
Atom CG of residue 584
ASP
Atom CA of residue 2670
GLU
LEU
Atom CG of residue 6
Atom CB of residue 584
Atom N of residue 54
Atom O of residue 584
Atom CH2 of residue 53
Atom CA of residue 437
Atom C of residue 584
Atom CZ3 of residue 53
Atom C of residue 585
TRP
Atom CA of residue 112
Atom CD of residue 52
Atom CG of residue 52
Atom CB of residue 52
Atom O of residue 52
Atom C of residue 52
PRO
Atom N of residue 52
Atom CB of residue 51
Atom N of residue 51
Atom O of residue 50
ASP
Atom C of residue 50
Atom CB of residue 49
Atom O of residue 49
Atom C of residue 49
LYS
Atom O of residue 586
Atom N of residue 49
Atom CD of residue 48
Atom C of residue 581
Atom CA of residue 12
Atom CB of residue 48
Atom CA of residue 38
Atom O of residue 48
Atom O of residue 47
Atom C of residue 47
Atom O of residue 580
Atom CA of residue 47
Atom CD of residue 122
GLY
Atom CD of residue 46
Atom C of residue 122
SER
Atom CB of residue 46
Atom C of residue 46
Atom C of residue 121
Atom CB of residue 45
Atom O of residue 45
LYS
Atom C of residue 45
Atom CA of residue 45
Atom CD2 of residue 120
ILE
Atom NH2 of residue 577
Atom CA of residue 44
ALA
LEU
Atom CA of residue 239
Atom N of residue 44
PRO
Atom CB of residue 43
Atom CA of residue 43
Atom CA of residue 2683
CYS
Atom N of residue 43
Atom OE1 of residue 42
Atom CD of residue 42
Atom CG of residue 42
Atom N of residue 576
Atom CA of residue 42
Atom CE of residue 64
GLU
Atom CZ3 of residue 41
Atom CZ2 of residue 41
Atom CA of residue 41
SER
Atom N of residue 41
Atom ND2 of residue 40
PHE
Atom N of residue 40
Atom CA of residue 39
Atom O of residue 532
Atom OE1 of residue 12
Atom CD1 of residue 38
Atom CG of residue 38
Atom CB of residue 38
THR
Atom O of residue 38
Atom C of residue 38
Atom CA of residue 38
LEU
PHE
Atom N of residue 38
Atom C of residue 37
GLN
Atom CB of residue 6
Atom SD of residue 36
Atom CG of residue 36
Atom CB of residue 36
Atom C of residue 36
MET
Atom N of residue 36
Atom CB of residue 35
Atom C of residue 35
GLY
THR
Atom N of residue 35
Atom O of residue 34
GLN
Atom OD1 of residue 33
Atom CG of residue 33
Atom CB of residue 33
VAL
Atom O of residue 33
Atom C of residue 33
Atom CA of residue 33
ASP
Atom CG of residue 32
Atom CB of residue 32
Atom C of residue 32
PRO
Atom N of residue 32
Atom OD1 of residue 31
THR
Atom CG of residue 31
Atom O of residue 31
Atom CA of residue 104
ASN
Atom NZ of residue 30
Atom CE of residue 30
Atom CD of residue 30
Atom C of residue 30
Model 15
LYS
Atom CG2 of residue 29
Atom OG1 of residue 29
Atom CB of residue 29
GLY
Atom O of residue 29
Atom C of residue 29
Atom N of residue 29
Atom CG of residue 28
Atom CA of residue 28
Atom N of residue 28
Atom CA of residue 573
Atom CG1 of residue 27
Atom CB of residue 27
Atom C of residue 27
Atom N of residue 27
Atom O of residue 26
ASN
Atom CA of residue 26
ALA
Atom CG2 of residue 25
Atom CG1 of residue 25
Atom CB of residue 25
Atom CA of residue 25
Atom CZ of residue 24
Atom O of residue 575
Atom CE2 of residue 24
Atom CE1 of residue 24
Atom CA of residue 559
Atom CD2 of residue 24
Atom CB of residue 24
Atom C of residue 24
Atom CA of residue 24
Atom N of residue 24
Atom CB of residue 126
Atom CA of residue 573
Atom O of residue 23
Atom CA of residue 23
Atom CA of residue 49
Atom SG of residue 573
Atom N of residue 23
TYR
Atom CB of residue 573
Atom CZ of residue 22
PRO
Atom CE2 of residue 22
Atom CA of residue 573
Atom CD2 of residue 22
python stream rigid body
ASP
Atom CB of residue 22
Atom C of residue 22
Atom C of residue 68
Atom CA of residue 22
Atom N of residue 22
Atom CD of residue 21
Atom CA of residue 510
Atom N of residue 21
Atom CA of residue 11
SER
Atom NE2 of residue 20
SER
Atom CB of residue 20
Atom O of residue 20
Atom C of residue 20
HIS
Atom O of residue 19
Atom CA of residue 325
Atom CA of residue 141
Atom C of residue 19
ASP
ASP
Atom N of residue 19
PRO
PHE
Atom CB of residue 18
Atom CA of residue 540
Atom C of residue 18
Atom O of residue 501
Atom CD2 of residue 558
Atom CA of residue 18
LYS
Atom NH2 of residue 17
Atom CZ of residue 17
TYR
Atom CD of residue 17
Atom N of residue 558
Atom CA of residue 2636
Atom CG of residue 17
Atom C of residue 17
Atom O of residue 557
Atom CA of residue 17
ARG
Atom NE1 of residue 16
GLU
GLN
Atom CD1 of residue 16
Atom CA of residue 526
Atom CA of residue 587
Atom CG of residue 16
Atom CA of residue 124
Atom O of residue 16
Atom CB of residue 15
Atom CA of residue 15
Atom NZ of residue 14
Atom CE of residue 14
Atom CB of residue 14
Atom CA of residue 516
Atom O of residue 14
DensityMap889
Atom N of residue 14
Atom NH1 of residue 13
Atom CZ of residue 13
Atom O of residue 13
Atom C of residue 13
Atom CA of residue 528
Atom N of residue 13
Atom OE2 of residue 12
Atom CD of residue 12
Atom CE of residue 118
Atom CA of residue 12
Atom CA of residue 43
GLU
Atom CA of residue 267
Atom CG of residue 11
Atom C of residue 11
CYS
Atom CB of residue 493
GLN
Atom CA of residue 509
ALA
Atom N of residue 11
ALA
Atom CD2 of residue 9
Atom CG of residue 9
Atom CB of residue 9
Atom C of residue 9
ARG
Atom CA of residue 123
Atom C of residue 7
Atom N of residue 7
HIS
Atom CG of residue 6
Atom C of residue 6
Atom CA of residue 127
Atom CA of residue 444
Atom CA of residue 6
Atom C of residue 5
Atom CG1 of residue 4
ILE
SER
Atom CA of residue 31
Atom N of residue 4
Atom O of residue 3
Atom CA of residue 3
Atom O of residue 2
Atom C of residue 2
Atom CA of residue 66
Atom CA of residue 2
SER
Atom N of residue 2
Model 47
python stream rigid body rigid body positions
AccumulateRigidBodyDerivatives21
normalize rigid bodies
Atom CA of residue 473
LYS
NormalizeRotation7
Atom CG2 of residue 136
Atom CA of residue 133
Atom CB of residue 62
rigid bodies list
Atom O of residue 552
PRO
ALA
python stream rigid body
Atom CA of residue 147
ALA
Atom CG1 of residue 112
Atom CA of residue 152
GLN
ALA
Atom CA of residue 150
Atom CZ of residue 144
Atom CA of residue 149
GLU
TYR
Atom CA of residue 69
Atom CA of residue 144
ASN
Atom CA of residue 143
Atom CA of residue 142
Atom CB of residue 462
ASN
Atom C of residue 462
Atom CA of residue 323
GLN
Atom N of residue 5
ASP
CYS
Atom CB of residue 83
Atom CA of residue 2641
TYR
Atom CA of residue 2640
ILE
Atom CG of residue 558
THR
GLY
Atom OD1 of residue 492
Atom CA of residue 134
Atom CA of residue 133
GLU
ALA
Atom CA of residue 131
GLN
Atom CA of residue 129
Atom CA of residue 2631
PRO
Atom CA of residue 128
Atom CA of residue 2630
ASP
Atom CA of residue 127
GLN
Atom CA of residue 126
Atom C of residue 459
ILE
Atom CA of residue 115
Atom CA of residue 459
Atom CA of residue 125
GLN
ASN
Atom CA of residue 122
Atom CB of residue 447
ASN
LEU
Atom CA of residue 434
GLU
Atom CA of residue 119
Atom N of residue 67
CYS
GLN
Atom CD of residue 65
Atom CA of residue 117
ILE
Atom CA of residue 114
Atom CA of residue 515
ILE
Atom CE1 of residue 64
GLN
Atom CA of residue 111
LYS
Atom CA of residue 110
Atom CG1 of residue 30
Atom CB of residue 539
Atom CA of residue 109
THR
Atom CA of residue 133
Atom CA of residue 61
Atom CB of residue 134
Atom CA of residue 107
ALA
PRO
Atom CA of residue 105
TRP
Atom OD1 of residue 33
Atom CA of residue 103
Atom N of residue 538
Atom CA of residue 102
Atom CA of residue 101
Atom CA of residue 100
LEU
Atom CA of residue 98
ILE
Atom CE2 of residue 536
LEU
Atom CA of residue 96
LEU
ARG
GLY
Atom CA of residue 94
CYS
VAL
Atom CA of residue 91
Atom CA of residue 486
Atom C of residue 62
GLY
Atom CA of residue 131
Atom CA of residue 62
Atom CA of residue 90
Atom CA of residue 93
Atom CA of residue 37
Atom CG of residue 534
HIS
PHE
PRO
GLU
PHE
Atom OD1 of residue 127
LYS
Atom CE2 of residue 58
CYS
LYS
PRO
Atom CB of residue 58
PRO
Atom C of residue 40
Atom CA of residue 72
Atom CA of residue 89
SER
Atom CA of residue 71
LYS
SER
LYS
Atom CA of residue 70
PRO
VAL
Atom CA of residue 69
ASP
Atom O of residue 31
Atom C of residue 540
Atom CA of residue 66
Atom CA of residue 476
LYS
Atom CD of residue 126
Atom CA of residue 65
PHE
Atom CA of residue 64
LEU
Atom CA of residue 63
MET
Atom CA of residue 62
Atom CB of residue 57
ARG
Atom CZ of residue 58
Atom CA of residue 61
LEU
Atom CA of residue 60
LYS
Atom CA of residue 58
LEU
Atom CG of residue 571
Atom CA of residue 56
ARG
ALA
GLY
Atom CA of residue 55
GLU
Atom CA of residue 54
TRP
Atom CA of residue 52
LEU
GLY
Atom O of residue 139
PRO
Atom C of residue 51
Atom CA of residue 49
GLY
LEU
Atom CA of residue 47
Atom N of residue 90
PRO
PRO
Atom OG of residue 89
Atom CA of residue 282
ALA
Atom CA of residue 46
CYS
Atom O of residue 36
Atom CA of residue 43
Atom CA of residue 10
Atom O of residue 507
GLU
Atom CA of residue 35
Atom CA of residue 41
GLU
ASN
Atom CA of residue 40
Atom CA of residue 39
LEU
Atom CA of residue 38
Atom CA of residue 37
MET
MET
Atom CA of residue 2668
Atom CA of residue 36
VAL
THR
ASP
Atom O of residue 569
Atom CA of residue 35
GLY
Atom CA of residue 34
Atom CG of residue 503
ASP
PRO
VAL
Atom O of residue 492
Atom C of residue 22
TYR
Atom CA of residue 32
ASN
Atom CA of residue 29
ALA
PRO
Atom CA of residue 28
VAL
Atom CA of residue 68
ALA
VAL
Atom N of residue 146
Atom CA of residue 22
PRO
Atom CA of residue 21
HIS
Atom CA of residue 20
ASP
ARG
Atom CA of residue 17
ASP
TRP
Atom C of residue 32
Atom CA of residue 16
Atom O of residue 501
Atom N of residue 98
Atom CA of residue 63
ALA
Atom CA of residue 15
GLU
GLN
ALA
Atom CA of residue 10
Atom CA of residue 9
Atom CG of residue 79
Atom C of residue 501
Atom CD2 of residue 97
MET
ARG
Atom CA of residue 8
Atom CA of residue 6
PRO
SER
Chain A
Atom CA of residue 2
Model 45
Atom CD1 of residue 437
P2
Atom CA of residue 15
P1
Atom CA of residue 89
P0
ALA
Atom CA of residue 518
Atom N of residue 52
ARG
Atom CA of residue 517
Atom CA of residue 52
Atom N of residue 144
LEU
Atom CA of residue 462
ILE
Atom CB of residue 60
LYS
Atom CA of residue 515
Atom CA of residue 461
MET
ILE
ALA
ALA
Atom CA of residue 510
Atom CA of residue 79
ALA
Atom CA of residue 508
SER
Atom NZ of residue 48
Atom CA of residue 507
Atom CA of residue 49
AccumulateRigidBodyDerivatives4
LYS
Atom CB of residue 527
Atom CA of residue 504
GLN
Atom CA of residue 503
LYS
1z5s_C_wrong.pdb
Atom CA of residue 502
TYR
Atom O of residue 16
LYS
Atom CA of residue 501
Atom CA of residue 452
VAL
Atom CA of residue 70
Atom CA of residue 500
GLN
ARG
Atom CA of residue 69
Atom CA of residue 499
GLY
LEU
Atom CB of residue 46
Atom CA of residue 498
PRO
Atom CA of residue 497
Atom O of residue 122
Atom N of residue 580
Atom CG of residue 46
GLU
Atom CA of residue 496
ILE
Atom CA of residue 495
ILE
Atom CA of residue 494
GLY
Atom CD1 of residue 45
Atom CA of residue 441
Atom CA of residue 493
Atom O of residue 45
LYS
Atom CA of residue 492
Atom CA of residue 491
Atom CA of residue 438
MET
Atom CA of residue 490
PHE
MET
ASP
Atom CA of residue 487
Atom CA of residue 486
Atom CA of residue 485
Atom CD1 of residue 119
Atom CA of residue 484
Atom CA of residue 523
Atom CA of residue 483
Atom CA of residue 480
ILE
Atom CB of residue 10
GLY
Atom O of residue 65
Atom CG of residue 118
Chain A
Atom C of residue 42
Atom CA of residue 478
GLU
Atom CA of residue 477
Atom CD1 of residue 41
Atom CA of residue 474
Atom CA of residue 473
Atom CA of residue 472
LYS
Atom O of residue 76
Atom CA of residue 471
Atom C of residue 12
HIS
Atom CA of residue 470
Atom CA of residue 469
Atom CA of residue 48
Atom N of residue 77
LYS
Atom CA of residue 462
Atom CG of residue 39
GLU
Atom CA of residue 461
Atom CA of residue 115
VAL
GLU
Atom CB of residue 113
Atom CA of residue 452
LEU
Atom N of residue 586
Atom CA of residue 451
Atom CA of residue 450
LYS
PRO
ILE
LYS
Atom CB of residue 10
Atom CA of residue 452
Atom CA of residue 147
Atom CA of residue 515
LEU
Atom CA of residue 62
ALA
Atom C of residue 514
Atom CA of residue 441
Atom CA of residue 61
PHE
Atom CA of residue 440
Atom CA of residue 439
Atom CG of residue 12
ILE
Atom O of residue 583
Atom CA of residue 437
ALA
Atom CA of residue 436
TYR
Atom CA of residue 513
LEU
Atom CA of residue 435
ALA
Atom CA of residue 434
GLU
Atom CA of residue 85
LYS
Atom CA of residue 428
Atom CA of residue 427
Atom CA of residue 426
Atom CA of residue 425
Atom CA of residue 422
Atom CA of residue 421
Atom CA of residue 419
Atom O of residue 579
Atom CA of residue 416
Atom CA of residue 415
PRO
Atom CA of residue 414
Atom CA of residue 412
Atom C of residue 116
Atom NH1 of residue 104
Atom CA of residue 411
Atom CA of residue 99
ALA
LEU
Atom CA of residue 410
Atom CA of residue 97
LEU
Atom CA of residue 407
Atom CA of residue 95
Atom CA of residue 27
ALA
Atom O of residue 27
Chain A
Atom CA of residue 406
Atom CA of residue 26
Atom CA of residue 94
ARG
Atom CA of residue 145
Atom CA of residue 93
ILE
Atom CA of residue 143
Atom O of residue 114
ILE
Atom CA of residue 140
Atom C of residue 85
ILE
Atom CA of residue 138
GLU
Atom O of residue 580
ARG
Atom CA of residue 136
Atom CA of residue 135
LYS
GLU
ALA
LYS
Atom CA of residue 131
LEU
Atom CA of residue 128
Atom O of residue 504
ALA
Atom CA of residue 130
ALA
Atom O of residue 112
Atom CA of residue 129
Atom CA of residue 21
Atom ND1 of residue 578
TYR
Atom CG of residue 578
Atom CA of residue 128
GLY
Atom CA of residue 125
ILE
Atom C of residue 100
Atom CA of residue 124
ILE
LYS
Atom CA of residue 123
SER
GLY
Atom CA of residue 122
PRO
Atom CD2 of residue 502
Atom CG of residue 19
Atom CA of residue 121
HIS
ILE
ARG
Atom CA of residue 119
Atom CA of residue 2631
Atom CA of residue 115
LEU
Atom CA of residue 314
LEU
THR
Atom CA of residue 113
Atom CA of residue 111
Atom C of residue 565
Atom CG2 of residue 490
Atom CA of residue 108
MET
LEU
GLU
Atom CA of residue 106
Atom CA of residue 63
Atom CG1 of residue 486
GLY
GLY
Atom N of residue 500
Atom N of residue 17
Atom CA of residue 43
Atom CA of residue 103
Atom CA of residue 101
ARG
Atom CG of residue 499
Atom CA of residue 107
THR
HIS
Atom CE of residue 498
Atom CA of residue 97
Atom CA of residue 96
ASP
GLY
ALA
GLU
LYS
ASP
GLN
THR
GLY
LYS
GLU
ALA
Atom CG1 of residue 92
MET
LYS
ALA
ALA
Atom CA of residue 78
PRO
Atom CA of residue 77
HIS
Atom CA of residue 76
Atom C of residue 94
GLN
Atom C of residue 98
Atom CA of residue 45
LEU
Atom CA of residue 74
Atom CA of residue 479
ILE
SER
Atom CA of residue 127
LYS
Atom CA of residue 71
Atom CA of residue 12
ASP
GLY
Atom CA of residue 69
Atom CA of residue 68
Atom CA of residue 67
Atom CA of residue 20
ALA
Atom CA of residue 66
Atom CD1 of residue 9
CYS
Atom O of residue 125
Atom CA of residue 94
THR
PHE
Atom CA of residue 13
Atom CA of residue 93
VAL
Atom CA of residue 92
VAL
Atom CG of residue 491
Atom CA of residue 91
ILE
Atom CA of residue 90
ASP
LEU
GLY
Atom N of residue 565
Atom CA of residue 57
Atom CA of residue 76
LEU
LEU
MET
Atom CA of residue 51
Atom CA of residue 49
MET
Atom CA of residue 48
Atom CD2 of residue 92
GLY
Atom C of residue 485
LYS
LYS
Atom CA of residue 46
Atom CD1 of residue 94
Atom CA of residue 82
Atom CA of residue 44
Atom CA of residue 118
Atom CA of residue 43
THR
Atom CA of residue 484
Atom CA of residue 42
MET
Atom CA of residue 41
Atom CB of residue 117
ARG
Atom CA of residue 40
Atom CA of residue 39
Atom N of residue 98
THR
GLU
Atom CA of residue 20
GLY
Atom CG of residue 487
Atom CA of residue 36
Atom CA of residue 500
Atom CA of residue 107
Atom CA of residue 454
Atom CA of residue 35
ILE
Atom CA of residue 453
Atom CA of residue 34
Atom CA of residue 33
ALA
Atom CA of residue 32
ALA
Atom CA of residue 31
LEU
Atom OD1 of residue 95
Atom CA of residue 30
Atom CA of residue 29
ASN
LEU
Atom CA of residue 556
ARG
ASN
Atom CA of residue 26
Atom CA of residue 92
Atom CA of residue 25
Atom CA of residue 134
ALA
Atom CA of residue 14
Atom CA of residue 24
Atom CG of residue 93
ASP
Atom CB of residue 93
Atom CA of residue 117
Atom CA of residue 23
ARG
GLY
Atom CA of residue 20
Atom CA of residue 19
Atom C of residue 119
Atom CA of residue 18
GLU
Atom CA of residue 14
Atom C of residue 140
Atom O of residue 66
PRO
LEU
Atom CA of residue 99
GLN
Atom CA of residue 11
Atom C of residue 118
d1q3sa1.pdb
Atom CD2 of residue 437
Atom CA of residue 10
GLN
P1
Atom OD1 of residue 6
P0
Model 43
LYS
Atom CA of residue 157
Atom CA of residue 20
Atom CB of residue 479
Atom OE1 of residue 111
Atom CA of residue 433
Atom CA of residue 310
ALA
CYS
Atom CA of residue 156
Atom CA of residue 309
PHE
Atom CA of residue 308
LYS
PRO
Atom CA of residue 154
VAL
Atom CA of residue 55
TYR
Atom CA of residue 136
THR
THR
Atom CA of residue 134
ALA
Atom CA of residue 133
Atom N of residue 466
LEU
GLU
python stream rigid body
Atom CA of residue 131
Atom CA of residue 97
Atom CA of residue 546
Atom CA of residue 130
Atom CB of residue 465
ALA
ASN
Atom CA of residue 129
Atom CA of residue 437
ARG
PRO
Atom CA of residue 132
Atom CA of residue 86
Atom CA of residue 436
ASP
Atom CB of residue 464
Atom CA of residue 435
GLN
Atom CA of residue 126
Atom CA of residue 125
Atom CA of residue 472
ASN
Atom O of residue 85
Atom CA of residue 124
PRO
Atom CA of residue 123
Atom OG1 of residue 463
Atom C of residue 503
GLU
PRO
VAL
Atom CA of residue 122
ASN
Atom N of residue 57
ASN
ASN
Atom CA of residue 121
Atom CG of residue 39
Atom N of residue 560
Atom CB of residue 20
GLU
LEU
Atom CA of residue 120
Atom CD of residue 11
LEU
Atom OD2 of residue 462
Atom CG of residue 11
Atom CA of residue 119
Atom CA of residue 118
Atom CA of residue 117
Atom CA of residue 40
GLY
Atom CA of residue 115
Atom C of residue 501
Atom CA of residue 113
ASP
Atom C of residue 54
Atom CA of residue 558
Atom CA of residue 112
LEU
GLN
Atom C of residue 21
LYS
LYS
VAL
ILE
ALA
THR
Atom CA of residue 455
Atom CA of residue 108
ALA
Atom CA of residue 106
Atom CA of residue 105
Atom CA of residue 37
ARG
Atom CA of residue 103
ASP
Atom CD of residue 80
PHE
GLU
Atom CA of residue 100
LEU
Atom CA of residue 99
GLU
Atom CA of residue 84
Atom NE of residue 448
Atom CA of residue 98
LEU
Atom CA of residue 97
Atom CA of residue 96
Atom CA of residue 95
VAL
Atom CA of residue 92
Atom O of residue 7
Atom CA of residue 91
GLY
SER
Atom CA of residue 88
TYR
Atom CA of residue 87
Atom CA of residue 86
Atom N of residue 496
ASN
PRO
Atom CA of residue 85
PRO
Atom CG1 of residue 455
Atom CA of residue 84
Atom CA of residue 83
PHE
Atom CA of residue 82
LEU
Atom CA of residue 12
Atom CA of residue 81
Atom CD of residue 66
Atom CA of residue 79
Atom CA of residue 31
GLU
Atom CA of residue 78
Atom CA of residue 30
PHE
Atom CA of residue 77
GLY
Atom CA of residue 29
LYS
Atom CZ of residue 147
Atom CA of residue 76
Atom CA of residue 75
Atom CA of residue 73
Atom OG of residue 70
Atom NH2 of residue 60
Atom NH2 of residue 487
PRO
SER
Atom ND2 of residue 40
Atom CA of residue 70
Atom CB of residue 483
PRO
Atom CA of residue 513
Atom CA of residue 68
GLY
Atom C of residue 546
ASP
ASP
Atom CB of residue 546
Atom CA of residue 66
Atom CA of residue 77
Atom O of residue 65
LYS
Atom CA of residue 65
Atom CA of residue 452
Atom CA of residue 64
Atom CA of residue 71
Atom C of residue 75
Atom SD of residue 64
Atom CA of residue 63
MET
Atom CA of residue 41
Atom CA of residue 112
Atom CA of residue 61
GLY
GLN
LEU
Atom CA of residue 40
Atom CA of residue 111
Atom CA of residue 60
LYS
ASP
LYS
Atom N of residue 44
ASN
Atom CA of residue 59
PHE
Atom O of residue 548
LEU
SER
Atom CA of residue 74
Atom CG of residue 63
Atom CA of residue 57
Atom CA of residue 55
LYS
Atom CG of residue 449
Atom CA of residue 66
GLU
Atom CA of residue 54
TRP
ASP
Atom CA of residue 53
PRO
Atom C of residue 547
PHE
THR
GLN
ARG
Atom CA of residue 547
Atom CA of residue 36
Atom CA of residue 51
Atom CA of residue 128
Atom CD1 of residue 137
GLY
Atom CA of residue 116
LYS
Atom CA of residue 49
LYS
Atom CA of residue 48
Atom CA of residue 35
GLY
Atom CA of residue 148
Atom CA of residue 80
ARG
P7
Atom CE of residue 545
Atom CD of residue 115
Atom CA of residue 46
Atom CA of residue 226
ILE
Atom CA of residue 45
Atom CA of residue 9
Atom CA of residue 44
Atom CA of residue 43
GLU
Atom CE1 of residue 137
Atom CA of residue 42
Atom CA of residue 40
Atom N of residue 14
ARG
Atom CA of residue 38
ASN
LYS
Atom CA of residue 37
Atom CA of residue 36
Atom SD of residue 36
Atom CG of residue 13
LYS
THR
Atom CA of residue 74
Atom CE of residue 65
Atom CA of residue 35
Atom O of residue 432
PHE
ASP
Atom CB of residue 76
Atom O of residue 69
Atom CA of residue 32
Atom CA of residue 34
Atom CA of residue 549
Atom CA of residue 31
Atom CA of residue 30
Atom CA of residue 20
Atom CA of residue 29
Atom CG of residue 539
PRO
Atom C of residue 65
Atom CA of residue 28
VAL
Atom CD2 of residue 137
PHE
ALA
VAL
PHE
GLY
Atom CA of residue 22
Atom CA of residue 89
PRO
Atom CA of residue 578
Atom CA of residue 134
LYS
GLU
Atom CA of residue 18
PRO
ARG
Atom CA of residue 197
Atom CA of residue 17
ALA
LYS
Atom CD of residue 132
Atom CA of residue 15
THR
LYS
Atom CB of residue 11
Atom CA of residue 13
Atom CA of residue 12
Atom CA of residue 11
Atom CA of residue 10
LEU
ARG
Atom CA of residue 8
THR
SER
Atom CA of residue 7
LEU
Atom CA of residue 90
Atom C of residue 534
SER
Chain A
python stream
Atom CA of residue 111
Atom CA of residue 2
LEU
Model 42
Atom CB of residue 475
P314
THR
Atom N of residue 8
PRO
ARG
Atom CA of residue 157
DensityMap917
ASP
Atom OD2 of residue 33
Atom CA of residue 156
Atom CA of residue 75
PHE
Atom CA of residue 153
Atom CG of residue 513
Atom CA of residue 152
GLY
Atom CA of residue 433
GLN
Atom CA of residue 436
Atom CD1 of residue 512
Atom CA of residue 432
Atom CA of residue 151
HIS
Atom O of residue 582
Atom CB of residue 109
GLY
ALA
Atom CA of residue 431
Atom CA of residue 150
GLY
ARG
Atom O of residue 91
Atom CA of residue 149
Atom CA of residue 148
Atom CA of residue 145
TYR
Atom CA of residue 144
LYS
Atom CA of residue 91
Atom CD2 of residue 580
Atom CA of residue 142
Atom CA of residue 139
Atom OD1 of residue 510
Atom N of residue 31
Atom CG of residue 510
Atom CA of residue 141
ASN
Atom CA of residue 139
Atom CB of residue 30
CYS
Atom CA of residue 138
TYR
Atom CA of residue 137
Atom CA of residue 455
Atom CA of residue 136
Atom CB of residue 133
Atom CA of residue 134
ALA
Atom CA of residue 133
Atom CA of residue 413
Atom CA of residue 81
Atom CA of residue 132
LYS
ALA
Atom CA of residue 131
Atom OE1 of residue 571
GLN
Atom CA of residue 120
Atom CA of residue 58
Atom CD of residue 571
GLN
Atom CA of residue 130
GLU
Atom OE1 of residue 444
ALA
Atom CA of residue 98
Atom O of residue 4
PRO
Atom CA of residue 129
Atom CA of residue 126
ILE
Atom CA of residue 125
ASN
GLN
Atom CA of residue 124
PRO
Atom CA of residue 123
GLU
Atom CA of residue 120
mol1 rigid body rigid body positions
Atom N of residue 581
GLU
Atom CA of residue 116
Atom CA of residue 115
Atom CA of residue 114
Atom N of residue 575
THR
Atom CA of residue 84
Atom CA of residue 113
Atom CA of residue 555
Atom CA of residue 110
GLY
Atom CA of residue 8
Atom CA of residue 108
Atom CE1 of residue 22
Atom CA of residue 106
Atom CA of residue 105
ARG
LYS
Atom CA of residue 101
Atom CA of residue 278
ASP
TYR
HIS
LYS
Atom CA of residue 100
GLU
LEU
Atom CA of residue 99
Atom CA of residue 103
Atom CA of residue 59
ILE
Atom CA of residue 236
Atom CA of residue 98
Atom CA of residue 120
LEU
THR
Atom CA of residue 97
ILE
Atom N of residue 577
Atom CA of residue 96
SER
Atom CA of residue 95
Atom CA of residue 91
PHE
Atom CA of residue 90
Atom CA of residue 417
Atom CA of residue 88
Atom CA of residue 416
Atom CA of residue 87
GLY
VAL
PHE
ASN
GLU
Atom O of residue 574
VAL
Atom N of residue 79
PRO
ASN
PHE
SER
PHE
PRO
LYS
Atom O of residue 15
Atom O of residue 44
GLY
CYS
ILE
LYS
GLU
PRO
Atom CA of residue 126
Atom CA of residue 496
PRO
Atom CA of residue 72
Atom CB of residue 152
SER
ASN
SER
Atom CA of residue 376
Atom CB of residue 37
Atom CA of residue 69
Atom CD of residue 33
Atom N of residue 488
Atom CD1 of residue 135
LYS
Atom CA of residue 68
ASP
MET
ASP
Atom CA of residue 66
Atom CE of residue 76
Atom CA of residue 65
PHE
Atom CA of residue 64
LEU
VAL
LYS
Atom CA of residue 63
MET
GLU
LYS
Atom CA of residue 62
Atom CA of residue 61
Atom CA of residue 60
Atom O of residue 42
LYS
LYS
LEU
PHE
Atom NE2 of residue 126
PRO
LEU
Atom CA of residue 57
Atom CA of residue 509
GLY
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom CD2 of residue 20
Atom CA of residue 56
Atom CA of residue 53
Atom O of residue 125
Atom CB of residue 11
Atom OG1 of residue 73
Atom CA of residue 52
GLY
LYS
Atom CA of residue 58
THR
Atom CB of residue 494
Atom CA of residue 49
Atom CB of residue 39
ASN
Atom CA of residue 48
Atom CA of residue 227
GLY
VAL
Atom OD1 of residue 492
Atom CA of residue 47
Atom CA of residue 493
PRO
PRO
ASN
Atom CA of residue 46
Atom CA of residue 213
Atom CA of residue 492
ILE
Atom CA of residue 45
PHE
TRP
Atom CA of residue 62
Atom CA of residue 488
SER
ASN
VAL
LEU
Atom CA of residue 40
Atom CA of residue 39
LEU
Atom CA of residue 38
MET
GLY
ASN
THR
Atom CA of residue 34
Atom CA of residue 343
GLN
PRO
ALA
ASN
LYS
ASP
Atom CA of residue 132
THR
THR
Atom O of residue 486
Atom CB of residue 118
MapReaderWriter45
PRO
Atom CG of residue 560
VAL
Atom CA of residue 27
PHE
ALA
Atom CB of residue 555
Atom CA of residue 26
Atom CA of residue 560
Atom O of residue 35
Atom O of residue 68
Atom CA of residue 25
Atom O of residue 563
Atom SD of residue 488
Atom N of residue 121
Atom CA of residue 559
Atom CA of residue 24
Atom CA of residue 558
Atom CA of residue 23
Atom CA of residue 137
PRO
PHE
ASP
Atom CA of residue 445
Atom CA of residue 321
Atom CA of residue 22
GLU
Atom CA of residue 20
Atom CD1 of residue 134
LYS
Atom O of residue 140
Atom O of residue 470
Atom CA of residue 18
Atom N of residue 477
ARG
Atom CA of residue 86
ASN
Atom C of residue 549
Atom CA of residue 15
TYR
Atom CA of residue 65
ARG
Atom O of residue 550
Atom CA of residue 273
Atom CA of residue 13
GLU
GLN
Atom CD of residue 147
ALA
Atom CA of residue 45
Atom CA of residue 10
LEU
Atom CG2 of residue 132
ARG
Atom CA of residue 442
Atom CA of residue 8
SER
Atom CA of residue 7
Atom OE2 of residue 483
LEU
Atom CG2 of residue 116
Atom CA of residue 6
GLU
ARG
ALA
Atom CD1 of residue 30
ILE
Atom CA of residue 4
Chain A
Atom CA of residue 3
Atom CG2 of residue 108
Atom CA of residue 147
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 157
PRO
ALA
PHE
GLY
ALA
Atom CA of residue 2688
Atom CG of residue 456
Atom CA of residue 2691
Atom CB of residue 456
Atom CG2 of residue 8
GLN
Atom CA of residue 151
ALA
VAL
Atom C of residue 456
ILE
Atom CA of residue 149
Atom CA of residue 572
Atom CG of residue 4
Atom CA of residue 148
HIS
Atom CA of residue 147
LYS
Atom CA of residue 146
GLU
ALA
Atom CA of residue 144
Atom CA of residue 29
GLU
Atom CA of residue 571
Atom CA of residue 143
GLU
VAL
Atom CG of residue 570
GLN
Atom CA of residue 141
Atom CA of residue 140
LEU
ASP
Atom CA of residue 139
Atom CA of residue 463
Atom N of residue 570
CYS
Atom CA of residue 138
Atom CA of residue 127
Atom CA of residue 105
TYR
Atom CA of residue 480
ALA
ILE
Atom CA of residue 136
Atom CA of residue 478
Atom C of residue 567
Atom CA of residue 454
Atom CA of residue 133
ILE
Atom CA of residue 132
Atom CD2 of residue 87
ALA
GLU
Atom CA of residue 131
Atom CA of residue 99
ALA
Atom CA of residue 156
Atom CA of residue 129
Atom CA of residue 39
ARG
ASN
Atom N of residue 146
Atom CD2 of residue 104
PRO
Atom CA of residue 128
GLY
GLN
Atom CA of residue 126
ILE
Atom CA of residue 153
PRO
ILE
Atom CA of residue 123
GLU
Atom CA of residue 121
Atom CA of residue 151
Atom CA of residue 120
GLU
HIS
GLN
ILE
Atom CA of residue 114
Atom CB of residue 103
LEU
Atom N of residue 532
Atom CG of residue 85
Atom O of residue 103
ILE
Atom CA of residue 146
Atom CA of residue 111
Atom O of residue 531
Atom O of residue 85
Atom CA of residue 97
LYS
Atom C of residue 531
Atom C of residue 85
SampledDensityMap14
ILE
GLN
Atom CA of residue 109
GLY
THR
Atom OD2 of residue 102
ILE
Atom CA of residue 106
PRO
Atom CA of residue 161
ARG
Atom CA of residue 104
Atom CA of residue 105
ASP
Atom CA of residue 102
Atom CD2 of residue 116
LEU
LYS
GLU
Atom O of residue 529
Atom CB of residue 83
Atom CA of residue 99
Atom C of residue 529
Atom O of residue 83
Atom CA of residue 98
Atom C of residue 83
VAL
Atom CA of residue 97
LEU
Atom CA of residue 94
CYS
VAL
VAL
THR
LEU
Atom CA of residue 91
Atom CZ of residue 141
GLY
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.em
TYR
Atom CA of residue 87
Atom N of residue 119
LEU
Atom O of residue 6
Atom CA of residue 85
CYS
PRO
Atom CA of residue 84
Atom CG of residue 527
Atom CA of residue 82
LEU
LEU
Atom CB of residue 527
LYS
Atom O of residue 8
Atom CA of residue 81
Atom O of residue 527
Atom C of residue 8
Atom CA of residue 80
Atom C of residue 527
Atom CG of residue 81
VAL
Atom CA of residue 79
GLU
Atom CB of residue 81
Atom CD2 of residue 98
Atom CA of residue 78
LYS
Atom C of residue 81
Atom CA of residue 76
Atom CA of residue 75
Atom CA of residue 9
LYS
THR
PRO
Atom CB of residue 452
Atom CA of residue 73
PRO
Atom C of residue 452
Atom CA of residue 71
PRO
ASP
LYS
Atom CA of residue 159
PHE
Atom CA of residue 64
MET
LEU
Atom CA of residue 59
Atom N of residue 79
Atom CA of residue 32
PHE
Atom CA of residue 58
Atom CA of residue 57
Atom CA of residue 49
VAL
Atom CA of residue 114
GLY
Atom CA of residue 149
PRO
Atom CA of residue 46
VAL
ALA
Atom CA of residue 44
Atom CA of residue 523
Atom CA of residue 147
Atom CA of residue 43
GLU
TRP
GLY
Atom CA of residue 41
ASN
Atom CA of residue 40
Atom O of residue 148
Atom CA of residue 38
Atom CA of residue 144
ASN
Atom CA of residue 117
Atom CG of residue 441
Atom CA of residue 464
Atom CA of residue 37
Atom CA of residue 35
GLY
P1
ASP
PRO
ASN
LYS
THR
Atom CA of residue 28
VAL
MET
Atom CA of residue 27
Atom CA of residue 136
Atom CA of residue 25
Atom CB of residue 440
Atom SG of residue 75
Model 3
PHE
Atom CA of residue 24
Atom O of residue 440
Atom CB of residue 75
GLY
GLY
VAL
Atom C of residue 440
Atom O of residue 75
ASP
PHE
Atom CA of residue 22
Atom CA of residue 92
PRO
Atom CA of residue 20
Atom CA of residue 133
ASP
Atom NZ of residue 74
Atom CA of residue 18
Atom CE of residue 74
Atom CA of residue 17
TRP
Atom CD of residue 74
LYS
Atom CA of residue 16
Atom CA of residue 125
ALA
ARG
Atom CA of residue 12
Atom CD of residue 538
GLN
Atom CA of residue 11
Atom CA of residue 10
Atom CA of residue 8
Atom NH2 of residue 69
SER
LEU
Atom CA of residue 544
Atom CA of residue 3
python stream
Atom CA of residue 41
Atom CA of residue 2
Atom CA of residue 157
Atom CA of residue 133
Atom CA of residue 2639
ALA
Atom CA of residue 2677
Atom CA of residue 156
PHE
Atom CA of residue 155
LYS
GLU
Atom CA of residue 154
Atom CA of residue 537
Atom CA of residue 132
Atom CA of residue 565
Atom CA of residue 153
Atom CA of residue 457
ARG
PHE
VAL
Atom CA of residue 148
Atom CA of residue 2672
Atom CA of residue 147
GLU
Atom CA of residue 128
Atom CA of residue 145
GLU
Atom N of residue 56
Atom CA of residue 143
VAL
Atom CA of residue 2669
ARG
ILE
ASN
GLY
LEU
Atom CA of residue 558
Atom CA of residue 140
Atom CA of residue 2630
GLN
Atom CA of residue 467
Atom OE2 of residue 571
GLN
CYS
Atom CG2 of residue 455
Atom CA of residue 2667
Atom CA of residue 138
TYR
Atom CB of residue 571
Atom CA of residue 137
Atom CA of residue 465
Atom N of residue 571
ASN
Atom CA of residue 135
Atom CD1 of residue 570
Atom CA of residue 134
Atom CA of residue 132
GLN
ALA
Atom N of residue 569
Atom CA of residue 129
GLU
ASP
Atom CG of residue 567
PRO
Atom CA of residue 127
Atom CB of residue 567
GLN
LEU
Atom N of residue 66
TYR
Atom CA of residue 126
ILE
Atom CG2 of residue 65
Atom CA of residue 125
ASN
Atom CA of residue 116
GLU
PHE
Atom CA of residue 2636
Atom CB of residue 453
Atom NE1 of residue 53
Atom CA of residue 122
ILE
PHE
LEU
Atom C of residue 96
Atom C of residue 453
Atom CA of residue 155
Atom CD1 of residue 53
Atom CA of residue 120
LEU
Atom CA of residue 119
Atom CA of residue 118
Atom CA of residue 546
GLN
Atom CA of residue 117
Atom CA of residue 115
Atom N of residue 475
LEU
Atom CA of residue 113
ILE
GLN
Atom CA of residue 111
Atom CA of residue 110
LYS
ILE
Atom CE2 of residue 440
ILE
PRO
ARG
ARG
TRP
Atom CA of residue 5
Atom CE2 of residue 473
ASP
ASP
Atom CA of residue 102
LYS
ASP
Atom CA of residue 100
GLU
GLU
LEU
Atom C of residue 440
Atom CA of residue 97
ILE
Atom CA of residue 440
Atom CA of residue 96
SER
Atom CG of residue 473
LEU
CYS
THR
Atom CA of residue 91
GLY
Atom CA of residue 90
Atom CA of residue 408
PRO
Atom CA of residue 88
TYR
Atom CA of residue 87
Atom CA of residue 2672
VAL
VAL
Atom CA of residue 86
Atom NE2 of residue 106
ASN
Atom CG of residue 69
Chain A
Atom C of residue 438
Atom CA of residue 82
LEU
Atom CB of residue 106
Atom CA of residue 80
SER
LYS
GLU
Atom CG2 of residue 436
Atom CA of residue 78
PHE
Atom CA of residue 131
Atom CA of residue 76
Atom CH2 of residue 104
CYS
LYS
Atom CA of residue 469
Atom CZ2 of residue 104
PRO
Atom CA of residue 73
SER
Atom CA of residue 548
SER
Atom CA of residue 68
Atom CA of residue 67
LYS
CYS
Atom CA of residue 65
Atom CE2 of residue 68
PHE
Atom CA of residue 401
Atom CA of residue 64
HIS
MET
Atom CA of residue 2666
ARG
ALA
LYS
PRO
Atom CA of residue 59
Atom CA of residue 58
GLY
Atom CA of residue 513
ASN
Atom CA of residue 37
VAL
GLY
Atom CA of residue 437
Atom CA of residue 396
Atom CA of residue 55
Atom N of residue 470
Atom CA of residue 99
GLU
TRP
Atom CA of residue 53
PRO
Atom CA of residue 52
Atom CB of residue 467
Atom CD of residue 103
Atom CA of residue 50
ILE
Atom CA of residue 47
Atom O of residue 468
ALA
Atom C of residue 468
CYS
Atom CA of residue 387
Atom CA of residue 43
Atom CA of residue 38
Atom CA of residue 36
Atom CA of residue 377
Atom CA of residue 35
Atom C of residue 156
GLY
Atom C of residue 102
ASP
Atom CB of residue 79
Atom CA of residue 33
Atom O of residue 79
Atom CG of residue 66
Atom CA of residue 32
Atom CA of residue 31
LYS
ASP
Atom CA of residue 30
VAL
LEU
Atom CA of residue 496
Atom CA of residue 27
ILE
PHE
Atom CA of residue 24
Atom CA of residue 23
PHE
PRO
HIS
Atom O of residue 465
ASP
Atom CA of residue 19
Atom O of residue 539
Atom CA of residue 18
Atom CG of residue 76
Atom CA of residue 2636
Atom CA of residue 16
Atom CA of residue 14
Atom O of residue 462
ARG
Atom CB of residue 75
ALA
Atom O of residue 75
Atom CA of residue 9
LEU
1tdx.pdb
Atom CA of residue 2656
Atom CA of residue 5
ILE
ASN
Atom CA of residue 542
Atom CG2 of residue 73
Atom CA of residue 4
Atom CA of residue 11
Fit restraint internal rb map
Fit restraint internal rb map
Atom CA of residue 66
Fit restraint
ASN
ILE
Atom CA of residue 181
Atom CA of residue 332
Atom N of residue 140
Atom ND2 of residue 508
Atom CA of residue 331
ALA
SER
Atom CA of residue 408
Atom CB of residue 104
VAL
ARG
Atom CA of residue 326
Atom C of residue 151
Atom CA of residue 324
GLN
GLN
Atom CA of residue 323
Atom N of residue 37
SER
Atom CA of residue 322
TYR
LeavesRefiner2
LEU
Atom CA of residue 2691
LEU
Atom CA of residue 2690
VAL
Atom CB of residue 506
Atom CA of residue 2688
GLU
GLY
Atom CA of residue 313
Atom CG of residue 83
Atom N of residue 506
GLY
Atom CE of residue 101
GLU
ASP
Atom OG of residue 505
Atom CA of residue 306
ILE
Atom CA of residue 305
ILE
Atom CA of residue 303
Atom CG of residue 543
ARG
Atom CA of residue 302
TRP
Atom CG of residue 570
Atom CZ of residue 33
Atom O of residue 19
ASP
SER
GLU
Atom CG of residue 147
ASP
Atom O of residue 541
ARG
LEU
CYS
Atom OE2 of residue 98
ALA
SER
GLY
GLU
VAL
Atom CA of residue 587
ARG
Atom CA of residue 586
LYS
Atom CG of residue 144
GLU
LYS
VAL
LEU
GLU
ILE
Atom OG of residue 95
LYS
ALA
GLU
Atom CA of residue 274
Atom C of residue 28
LEU
Atom CA of residue 273
Atom C of residue 142
ALA
ARG
Atom CB of residue 94
LYS
ALA
LYS
Atom CA of residue 128
ASP
MET
Atom CA of residue 270
ASN
VAL
GLN
ILE
ILE
THR
GLU
Atom CA of residue 257
VAL
LEU
Atom CA of residue 250
Atom OG1 of residue 24
GLU
Atom CB of residue 24
Atom CA of residue 2634
PRO
Atom CA of residue 249
Atom SG of residue 138
Atom CA of residue 248
Atom CG of residue 40
GLU
ALA
ARG
Chain A
LEU
SER
ALA
Atom CA of residue 244
Atom CB of residue 88
Atom CA of residue 243
Atom CB of residue 137
Atom CA of residue 546
Atom CA of residue 585
VAL
Atom CA of residue 545
Atom CA of residue 584
LYS
Chain A
Atom CA of residue 236
ASN
GLY
PHE
ALA
SER
Atom CA of residue 329
LYS
VAL
GLN
LYS
Atom CA of residue 258
Atom CA of residue 327
LEU
Atom CA of residue 326
Atom SD of residue 488
Atom CB of residue 44
Atom CA of residue 35
GLN
Atom CA of residue 325
Atom CG of residue 84
Atom CA of residue 44
THR
Atom CA of residue 324
Atom CG2 of residue 529
Atom O of residue 43
Atom CA of residue 322
ALA
LEU
Atom CA of residue 320
Atom C of residue 33
Atom C of residue 135
Atom NE of residue 487
ASN
LEU
Atom CD1 of residue 517
ASP
Atom C of residue 135
Atom CA of residue 316
ASP
Atom CA of residue 315
GLU
GLY
Atom CA of residue 313
GLU
Atom CA of residue 71
Atom CA of residue 113
Atom CA of residue 306
ILE
VAL
Atom CA of residue 516
Atom CA of residue 303
Atom CA of residue 302
Atom O of residue 435
MET
Atom CA of residue 301
Atom O of residue 107
Atom CA of residue 300
ASP
Atom C of residue 132
Atom CA of residue 299
LYS
ILE
Atom CA of residue 298
ASP
Atom CA of residue 296
ASP
ARG
Atom CA of residue 293
Atom O of residue 433
LEU
Atom C of residue 433
Atom CA of residue 292
Atom O of residue 110
ALA
Atom CA of residue 290
ILE
ASN
Atom CA of residue 289
Atom CA of residue 86
Atom CA of residue 287
Atom CA of residue 85
Atom CA of residue 286
Atom CA of residue 285
LYS
Atom CA of residue 284
Atom CA of residue 541
Atom CZ of residue 155
ALA
GLU
Atom CA of residue 72
Atom CA of residue 283
LYS
VAL
GLU
Atom CA of residue 279
Atom CA of residue 278
python stream rigid body rigid body positions
GLU
Atom CB of residue 518
Atom CA of residue 277
Atom CA of residue 276
LEU
Atom CA of residue 69
Atom CA of residue 273
MET
Atom CA of residue 272
Atom C of residue 587
Atom CA of residue 271
VAL
Atom CA of residue 270
VAL
LYS
Atom OE2 of residue 483
Atom CD of residue 123
GLN
Atom CG of residue 123
Atom CA of residue 267
Atom N of residue 80
LYS
ILE
GLU
GLU
ILE
SER
ILE
THR
GLU
Atom CG1 of residue 90
Atom C of residue 78
VAL
Atom CA of residue 250
GLU
Atom CB of residue 51
VAL
GLU
Atom CB of residue 583
Atom CA of residue 247
Atom O of residue 44
Atom CA of residue 243
Atom C of residue 44
LYS
Atom CA of residue 242
TYR
VAL
LYS
Atom CA of residue 238
Atom CB of residue 582
ARG
GLY
Atom CA of residue 89
Atom CA of residue 25
Atom CG of residue 503
PRO
LEU
Atom CA of residue 236
UpdateRigidBodyMembers19
Atom NH2 of residue 60
mol1 rigid body
Atom CB of residue 31
LEU
VAL
Atom O of residue 29
LEU
Fit restraint
PRO
ALA
MET
SER
AccumulateRigidBodyDerivatives19
VAL
Atom CA of residue 393
ARG
Atom CA of residue 392
THR
Atom CA of residue 389
Atom CA of residue 74
LEU
Atom CA of residue 388
ARG
Atom CA of residue 450
Atom CG of residue 481
SER
Atom CA of residue 384
PHE
Atom CA of residue 366
Atom CA of residue 382
Atom O of residue 19
TYR
Atom OG of residue 71
Atom NZ of residue 101
ASN
Atom CA of residue 378
Atom CE2 of residue 16
Atom CA of residue 124
GLU
PHE
LYS
Atom CA of residue 375
THR
Atom CA of residue 544
ARG
Atom CA of residue 29
GLN
Atom CA of residue 374
Atom CA of residue 543
LEU
MET
Atom CA of residue 373
Atom CD1 of residue 15
LEU
Atom CA of residue 372
Atom CA of residue 157
LEU
Atom O of residue 25
VAL
ALA
Atom CA of residue 371
PHE
Atom CA of residue 70
ASP
Atom CA of residue 370
ALA
Atom CA of residue 368
LEU
THR
Atom CA of residue 113
VAL
Atom CA of residue 365
Atom CA of residue 112
Atom CA of residue 451
Atom CA of residue 14
ALA
Atom CA of residue 364
Atom CA of residue 448
Atom CA of residue 146
VAL
Atom CA of residue 361
Atom CA of residue 359
GLY
GLN
LEU
PRO
Atom CD2 of residue 63
VAL
Atom CG1 of residue 5
LYS
Atom CA of residue 332
THR
Atom CA of residue 47
LYS
GLY
Atom CA of residue 43
Atom CD2 of residue 103
ARG
LYS
LEU
TYR
Atom CA of residue 40
Atom CA of residue 52
Atom CA of residue 152
Atom C of residue 88
VAL
Atom CA of residue 39
Atom CA of residue 151
PRO
ASP
GLY
Atom N of residue 88
Atom CA of residue 38
LEU
ILE
GLY
LEU
Atom CA of residue 35
ALA
Atom CA of residue 59
Atom CA of residue 33
GLY
GLU
ASP
Atom CA of residue 91
Atom CA of residue 27
PHE
LEU
SER
Atom CA of residue 23
ASP
Atom ND2 of residue 85
Atom CA of residue 22
GLU
ALA
Atom CA of residue 21
LEU
Atom CA of residue 20
Atom CA of residue 41
Atom CD1 of residue 560
Atom CA of residue 19
LEU
ILE
Atom CA of residue 17
Atom C of residue 23
ARG
mol1
LEU
Atom CA of residue 409
SER
VAL
ALA
Atom CA of residue 406
Atom CA of residue 85
Atom CA of residue 405
Atom CA of residue 404
Atom CA of residue 403
Atom CA of residue 402
LEU
Atom CA of residue 400
Atom CA of residue 29
SER
Atom CA of residue 399
PHE
Atom CA of residue 398
MET
Atom CA of residue 397
Atom CA of residue 50
Atom CA of residue 56
ASN
Atom ND1 of residue 83
ASP
Atom C of residue 80
Atom OD1 of residue 67
PRO
ARG
THR
Atom N of residue 80
Atom CA of residue 393
MET
Atom CA of residue 392
GLY
Atom CA of residue 391
Atom CA of residue 2657
Atom CA of residue 390
Atom CD1 of residue 104
Atom CA of residue 2688
VAL
Atom CA of residue 37
Atom CA of residue 2656
Atom CA of residue 389
Atom CA of residue 386
Atom N of residue 82
Atom CA of residue 385
Atom CA of residue 383
Atom CA of residue 6
Atom CB of residue 124
Atom CA of residue 382
Atom CA of residue 381
Atom CA of residue 376
Atom CD1 of residue 34
Atom N of residue 123
Atom CA of residue 263
PHE
ASP
Atom CA of residue 374
Atom CA of residue 262
Atom CG of residue 77
GLN
Atom CA of residue 373
Atom CB of residue 122
Atom CA of residue 372
Atom CA of residue 366
Atom CA of residue 365
Atom CA of residue 11
Atom CA of residue 364
Atom CA of residue 363
Atom CA of residue 7
Atom CA of residue 362
ARG
Atom CA of residue 361
Atom CA of residue 71
VAL
Atom CA of residue 359
ILE
ILE
PHE
Atom N of residue 75
ASP
ASN
LYS
GLN
Atom CA of residue 70
LEU
PRO
THR
LEU
GLN
ARG
Atom CA of residue 2634
MET
Atom CA of residue 2633
ARG
Atom CA of residue 557
GLN
Atom CA of residue 117
Atom CA of residue 38
Atom N of residue 113
ASN
Atom CA of residue 45
Atom CA of residue 43
LYS
TYR
Atom CA of residue 40
Atom CA of residue 39
Atom CA of residue 53
Atom CA of residue 38
Atom O of residue 64
Atom CA of residue 37
Atom NZ of residue 475
Atom CA of residue 36
Atom CA of residue 35
LYS
PRO
Atom CA of residue 28
ASP
Atom CA of residue 27
Atom O of residue 49
ALA
Atom CA of residue 95
PHE
Atom CA of residue 24
Atom CA of residue 93
ASP
Atom CA of residue 22
Atom CA of residue 92
ALA
Atom CA of residue 21
Atom CA of residue 20
SER
Atom N of residue 107
Atom CA of residue 523
Atom CA of residue 18
Atom C of residue 93
Atom CA of residue 60
Atom CA of residue 522
Atom CA of residue 17
ASP
mol1
Atom CA of residue 15
Atom CA of residue 92
NormalizeRotation6
Atom CA of residue 374
Atom C of residue 520
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/three_particles_in.em
Atom CA of residue 373
MET
Atom CA of residue 372
Atom CA of residue 371
GLU
Atom CA of residue 370
LEU
SER
Atom CA of residue 369
VAL
Atom CA of residue 52
Atom CA of residue 368
VAL
ARG
ALA
ASP
Atom O of residue 116
Atom N of residue 28
VAL
Atom CD of residue 17
ALA
Atom O of residue 17
SER
PRO
GLU
Atom CA of residue 68
ILE
LEU
VAL
Atom CA of residue 33
Atom CA of residue 499
Atom CA of residue 357
Atom CA of residue 498
Atom CA of residue 356
Atom C of residue 25
Atom CA of residue 354
VAL
Atom OE1 of residue 21
Atom CA of residue 353
Atom CB of residue 516
LEU
TRP
Atom O of residue 516
Atom CA of residue 352
ALA
Atom C of residue 21
LYS
Atom CA of residue 351
GLY
Atom CA of residue 350
Atom CA of residue 19
Atom NH1 of residue 8
THR
THR
Atom N of residue 37
GLU
Atom CE of residue 36
Atom CA of residue 348
Atom CA of residue 448
PRO
Atom CA of residue 447
Atom CA of residue 34
ASP
Atom CA of residue 346
Atom O of residue 585
ARG
Atom CA of residue 487
TYR
Atom C of residue 53
TYR
Atom CA of residue 344
Atom CA of residue 486
ALA
Atom CA of residue 12
Atom CA of residue 343
Atom CA of residue 485
LEU
Atom CG1 of residue 4
Atom CE1 of residue 22
Atom OG1 of residue 514
Atom CA of residue 342
Atom CA of residue 341
Atom CA of residue 483
GLN
Atom CA of residue 340
Atom CA of residue 482
THR
GLN
Atom CA of residue 339
Atom CA of residue 481
SER
Atom O of residue 513
Atom CA of residue 337
Atom CA of residue 336
Atom CA of residue 4
Atom CB of residue 19
Atom CA of residue 478
ASN
Atom OE2 of residue 20
Atom CA of residue 477
ARG
Atom CA of residue 8
Atom CA of residue 334
Atom CA of residue 476
LEU
Atom CA of residue 333
Atom C of residue 4
VAL
Atom N of residue 8
Atom CA of residue 332
SER
Atom C of residue 5
Atom N of residue 33
ARG
Atom CD of residue 32
Atom CA of residue 331
Atom CA of residue 32
ALA
THR
Atom CA of residue 456
Atom C of residue 10
Atom CA of residue 329
ILE
Atom N of residue 10
Atom CA of residue 455
Atom CA of residue 328
GLY
Atom OG1 of residue 511
Atom CA of residue 345
Atom CA of residue 327
GLY
SER
Atom CG2 of residue 511
ALA
LYS
LEU
Atom CA of residue 453
Atom CA of residue 344
Atom CA of residue 326
Atom CA of residue 325
Atom CA of residue 4
Atom CA of residue 324
Atom C of residue 31
GLN
ARG
ASP
Atom CA of residue 322
LYS
Atom O of residue 13
Atom CA of residue 321
python stream rigid body
Atom N of residue 7
THR
Atom CA of residue 320
HIS
TYR
Atom CA of residue 319
LEU
GLY
Atom CA of residue 317
Atom CB of residue 509
LEU
ASP
PHE
Atom CD1 of residue 4
Atom CA of residue 314
ASP
Atom CA of residue 313
Atom CA of residue 312
ARG
Atom CA of residue 311
GLN
Atom O of residue 104
ALA
Atom N of residue 578
ILE
GLY
Atom CA of residue 307
CYS
Atom CG2 of residue 27
Atom N of residue 17
GLU
SER
LEU
Atom CA of residue 305
Atom CA of residue 451
GLU
Atom CA of residue 304
Atom CA of residue 450
LEU
Atom CA of residue 303
SER
Atom CA of residue 302
Atom CA of residue 301
Atom CA of residue 2633
Atom CA of residue 300
Atom CA of residue 138
PRO
Atom CA of residue 110
Atom N of residue 507
PHE
Atom CZ of residue 575
Atom CA of residue 298
Atom CA of residue 109
ARG
Atom CA of residue 564
Atom C of residue 25
ILE
ALA
Atom CA of residue 108
TYR
LEU
Atom CA of residue 132
Atom CA of residue 105
ASP
Atom CA of residue 104
VAL
Atom CB of residue 579
Atom CA of residue 103
THR
Atom CA of residue 102
ALA
Atom C of residue 574
Atom CA of residue 21
Atom CA of residue 101
LYS
Atom CA of residue 289
GLU
Atom N of residue 574
Atom CA of residue 288
Atom CB of residue 577
Atom CA of residue 545
Atom O of residue 11
Atom CA of residue 287
Atom CA of residue 82
HIS
ALA
ASP
Atom OD1 of residue 19
ASP
SER
SER
GLU
Atom NE of residue 448
Atom CA of residue 282
PRO
Atom CB of residue 581
Atom CA of residue 279
Atom CD2 of residue 134
GLN
TYR
Atom CA of residue 277
SER
PRO
Atom CA of residue 299
Atom CA of residue 276
ASP
Atom CA of residue 275
Atom CA of residue 274
Atom CA of residue 273
Atom SD of residue 498
ARG
Atom CA of residue 270
Atom CA of residue 269
GLU
GLN
Atom CA of residue 266
Atom CA of residue 65
Atom CA of residue 265
Atom CD of residue 14
Atom CA of residue 7
Atom CA of residue 135
TRP
Atom CA of residue 134
LYS
Atom CA of residue 262
Atom CA of residue 261
Atom CA of residue 21
ARG
Atom CA of residue 260
Atom CA of residue 259
ILE
MET
Atom CA of residue 14
GLU
VAL
Atom CZ of residue 8
Atom CG of residue 495
TRP
Atom N of residue 155
Atom CA of residue 54
TRP
Atom CA of residue 252
PRO
Atom CA of residue 72
TYR
GLU
ALA
Atom CA of residue 250
Atom C of residue 9
ASP
Atom CA of residue 249
Atom C of residue 493
GLU
Atom CA of residue 493
Atom CA of residue 248
ALA
PRO
PHE
Atom N of residue 10
Chain A
Atom CA of residue 246
Atom CA of residue 245
Atom CA of residue 241
ILE
Atom OE1 of residue 63
Atom CA of residue 239
MET
Atom CA of residue 570
Atom CA of residue 37
TYR
Atom CA of residue 238
Atom CA of residue 237
GLU
Atom CA of residue 236
Atom CA of residue 235
VAL
PHE
Atom CA of residue 230
Atom CA of residue 82
Atom CA of residue 229
MapReaderWriter4
PHE
LEU
PHE
Atom CA of residue 228
LEU
GLY
Atom CA of residue 227
Atom CA of residue 480
1z5s_A.pdb
PRO
ARG
Atom CA of residue 225
Atom CA of residue 220
Atom CA of residue 218
Atom CB of residue 13
Atom CA of residue 217
Atom CA of residue 469
Atom CA of residue 216
ILE
Atom CA of residue 468
Atom CA of residue 215
Atom CA of residue 212
Atom CA of residue 211
ASP
Atom CA of residue 8
Atom O of residue 432
GLY
THR
Atom CA of residue 7
Atom O of residue 484
LEU
Atom CA of residue 461
ASN
Atom CA of residue 208
ALA
ASP
Atom CA of residue 202
Atom CA of residue 48
LEU
Atom CA of residue 483
Atom CA of residue 201
Atom CA of residue 47
VAL
Atom CA of residue 200
LYS
VAL
GLN
PHE
Atom NZ of residue 481
TYR
ILE
Atom CA of residue 91
Atom CA of residue 26
Atom CA of residue 193
GLY
GLN
Atom CA of residue 191
ALA
Atom CA of residue 22
SER
GLY
Atom CA of residue 189
Atom CA of residue 447
ALA
Atom CA of residue 183
Atom CA of residue 181
Atom C of residue 479
ARG
VAL
GLY
ALA
Atom N of residue 479
Atom CA of residue 178
GLY
MET
Atom CA of residue 177
Atom CD of residue 9
ARG
LEU
Atom CA of residue 176
PRO
ASN
Atom CA of residue 175
GLY
Atom CA of residue 272
Atom CG of residue 444
Atom CA of residue 132
Atom CA of residue 174
Atom CA of residue 130
ARG
Atom CA of residue 173
Atom CA of residue 116
LEU
Atom CA of residue 172
Atom CA of residue 115
ASP
Atom CA of residue 171
GLN
Atom CA of residue 170
PHE
Atom CA of residue 169
Atom O of residue 476
Atom CA of residue 168
MET
Atom CA of residue 167
ASN
Atom CA of residue 166
TYR
Atom CA of residue 164
ARG
Atom CA of residue 163
PRO
Atom CA of residue 162
PRO
Atom CA of residue 161
THR
Atom CA of residue 160
TRP
Atom CA of residue 159
Atom CG of residue 474
ASP
Atom CZ of residue 440
VAL
Atom O of residue 5
MET
Atom CA of residue 85
ASP
Atom CA of residue 51
PHE
Atom CA of residue 83
Atom CA of residue 82
Atom CA of residue 81
Atom CA of residue 80
Atom CB of residue 472
Atom CA of residue 79
Atom CA of residue 78
Atom CA of residue 45
SER
Atom CA of residue 77
Atom CA of residue 44
TYR
Atom CA of residue 43
HIS
Atom CA of residue 438
Atom CA of residue 75
Atom CA of residue 42
LEU
Atom CA of residue 74
Atom OD2 of residue 549
Atom CA of residue 72
Atom CA of residue 38
HIS
Atom CA of residue 70
Atom CA of residue 97
Atom CA of residue 140
Atom CA of residue 470
Atom CA of residue 69
Atom CA of residue 68
Atom CA of residue 67
Atom CA of residue 66
ALA
GLY
GLU
Atom CA of residue 435
ILE
MET
VAL
ASP
Atom CE of residue 78
ASN
Atom OE1 of residue 467
LYS
ASP
ARG
Atom O of residue 530
GLU
VAL
Atom CA of residue 467
Atom CA of residue 54
ASN
Atom CA of residue 53
ARG
ARG
Atom CA of residue 51
Atom CA of residue 516
LEU
Atom CD of residue 157
TRP
Model 40
Atom CA of residue 50
ALA
Atom OD1 of residue 465
GLN
ASN
Atom CA of residue 43
LYS
Atom CA of residue 42
Atom CA of residue 41
Atom O of residue 544
Atom CA of residue 506
Atom CD1 of residue 155
GLU
Atom C of residue 544
Atom CA of residue 40
Atom O of residue 149
Atom N of residue 464
Atom N of residue 527
VAL
LEU
Atom OG of residue 525
ASP
Atom CA of residue 32
Atom N of residue 462
VAL
Atom CA of residue 13
GLY
GLN
LEU
Atom CA of residue 136
Atom CA of residue 28
Atom N of residue 136
GLY
Atom CA of residue 105
Atom CA of residue 461
Atom CA of residue 27
TYR
Atom CA of residue 25
ILE
Atom CA of residue 24
Atom CG of residue 523
Atom CA of residue 23
SER
Atom CD2 of residue 539
Atom CA of residue 20
PHE
ARG
Atom CG of residue 538
ARG
LYS
Atom CA of residue 13
Atom C of residue 144
CYS
Atom CA of residue 12
TYR
LEU
Atom N of residue 144
Atom CG1 of residue 457
Atom CB of residue 520
Atom CA of residue 10
VAL
Atom CA of residue 9
SER
Atom CA of residue 151
LEU
GLU
Atom CA of residue 7
LYS
ASP
Atom N of residue 143
LEU
Atom CG2 of residue 142
Atom CA of residue 5
SER
Atom C of residue 42
Atom CA of residue 94
GLY
ALA
Atom CA of residue 10
GLU
ALA
Atom O of residue 520
ALA
LEU
VAL
ARG
GLY
Atom CB of residue 518
ALA
SER
Atom OE2 of residue 12
Atom NH2 of residue 141
PRO
Atom N of residue 39
Atom CA of residue 37
GLY
THR
GLU
Atom CG of residue 43
Atom C of residue 6
PRO
Atom CA of residue 446
Atom N of residue 95
ASP
GLU
TYR
Atom CA of residue 34
ALA
Atom CA of residue 132
Atom CA of residue 442
Atom CA of residue 342
Atom CA of residue 341
Atom CA of residue 35
Atom CA of residue 515
Atom CA of residue 340
HIS
THR
ILE
HIS
GLU
Atom CA of residue 335
VAL
VAL
ARG
Atom CA of residue 144
LEU
Atom CA of residue 333
VAL
LYS
ALA
Atom CA of residue 571
Atom CA of residue 330
Atom O of residue 576
SER
ILE
Atom C of residue 576
ALA
GLY
Atom CB of residue 21
Atom CA of residue 327
LEU
LEU
Atom CA of residue 90
Atom CA of residue 324
GLU
Atom CD2 of residue 446
ASP
Atom CA of residue 322
Atom CA of residue 321
Atom CG of residue 105
Atom CA of residue 320
Atom CA of residue 90
Atom CA of residue 30
HIS
Atom CA of residue 6
Atom CA of residue 80
Atom O of residue 509
Atom CA of residue 316
Atom CA of residue 318
SER
Atom CA of residue 503
ASP
Atom CA of residue 2
Atom CA of residue 315
Atom CE1 of residue 437
Atom CA of residue 314
PHE
Atom CA of residue 46
ASP
Atom N of residue 104
Atom CA of residue 313
Atom CA of residue 96
Atom CA of residue 28
VAL
GLN
GLU
GLN
Atom CH2 of residue 16
Atom CA of residue 306
Atom CA of residue 310
Atom CA of residue 308
GLU
GLU
Atom CA of residue 304
LEU
Atom CA of residue 388
SER
Atom OG of residue 126
Atom CA of residue 302
ARG
Atom CA of residue 301
Atom CA of residue 300
ASP
PRO
GLU
Atom CA of residue 295
Atom CA of residue 294
ILE
ASP
Atom CA of residue 292
THR
Atom CA of residue 288
ALA
Atom ND2 of residue 121
PRO
HIS
Atom CB of residue 149
Atom CA of residue 27
SER
Atom CA of residue 286
Atom CA of residue 246
SER
LEU
Atom CA of residue 282
Atom CA of residue 35
Atom CA of residue 22
PRO
Atom CA of residue 281
PRO
Atom CA of residue 489
PRO
PRO
TYR
Atom CA of residue 275
Atom CA of residue 587
Atom CB of residue 74
Atom CA of residue 274
LEU
Atom CA of residue 479
Atom CA of residue 502
Atom CA of residue 273
Atom CA of residue 19
SER
Atom CA of residue 270
Atom NE of residue 125
LEU
Atom C of residue 126
Atom CA of residue 266
Atom CA of residue 9
Atom CD2 of residue 550
Atom CA of residue 265
Atom CB of residue 42
Atom CA of residue 264
TRP
LYS
Atom C of residue 24
Atom NE2 of residue 519
Atom CA of residue 585
Atom CA of residue 262
GLY
Atom NE2 of residue 11
Atom C of residue 76
LEU
LEU
Atom CB of residue 72
Atom CB of residue 102
LYS
ARG
GLU
Atom CA of residue 259
GLN
Atom CA of residue 258
GLU
Atom N of residue 13
VAL
Atom CA of residue 257
Atom CA of residue 6
TRP
Atom C of residue 27
Atom CD2 of residue 114
TYR
Atom CA of residue 250
Atom CA of residue 248
PRO
GLU
Atom CA of residue 125
Atom CA of residue 247
THR
GLN
ARG
GLY
Atom N of residue 516
Atom CA of residue 245
Atom CA of residue 244
VAL
Atom CA of residue 445
GLU
ARG
Atom CA of residue 243
Atom CG2 of residue 476
ARG
TYR
Atom CA of residue 33
Atom CA of residue 199
Atom CB of residue 532
ARG
Atom CA of residue 12
Atom CA of residue 241
ILE
Atom OD2 of residue 549
Atom CA of residue 240
MET
Atom CA of residue 238
Atom CA of residue 562
GLN
ALA
Atom CA of residue 237
PHE
Atom CA of residue 56
Atom C of residue 530
GLU
Atom CA of residue 234
ILE
1z5s_C_wrong.pdb
THR
Atom CG1 of residue 494
Atom CA of residue 232
Atom CD of residue 39
ARG
Atom N of residue 19
Atom CA of residue 457
Atom CA of residue 330
ILE
ILE
HIS
Atom CA of residue 228
PHE
ILE
Atom CB of residue 31
ARG
Atom CA of residue 142
Atom CD1 of residue 6
Atom CA of residue 226
PRO
ASN
Atom CA of residue 140
Atom CA of residue 221
Atom CB of residue 89
GLN
ARG
Atom CA of residue 577
Atom CA of residue 215
Atom CB of residue 124
ALA
Atom N of residue 72
Atom CA of residue 214
GLN
ILE
GLY
Atom CD of residue 444
Atom CA of residue 5
PHE
GLY
Atom CA of residue 207
PHE
ARG
LYS
Atom CA of residue 206
Atom CB of residue 40
Atom CA of residue 205
Atom CA of residue 204
Atom CA of residue 97
ASP
Atom CA of residue 3
Atom CA of residue 200
ASN
Atom CA of residue 199
SER
Atom O of residue 581
LYS
Atom C of residue 493
Atom CA of residue 198
SER
PHE
Atom CA of residue 2
LEU
Atom CA of residue 197
Atom CD1 of residue 87
Atom C of residue 40
ALA
VAL
Atom CA of residue 194
ILE
Atom CA of residue 436
Atom CA of residue 193
Atom CA of residue 192
GLN
Atom CA of residue 191
Atom CA of residue 190
Atom N of residue 123
LEU
THR
Atom CA of residue 189
Atom CA of residue 490
Atom N of residue 153
Atom CA of residue 188
ALA
TYR
PRO
ARG
PHE
GLY
Atom CA of residue 551
CYS
LEU
Model 46
Atom CA of residue 180
Atom CE1 of residue 20
ASP
Atom CA of residue 136
Atom CA of residue 178
Atom C of residue 439
Atom CA of residue 177
ARG
SER
Atom CA of residue 175
Atom CB of residue 39
Atom CD2 of residue 559
GLY
Atom CA of residue 174
ARG
Atom CA of residue 554
Atom CA of residue 173
LEU
GLN
Atom CA of residue 170
PHE
Atom CA of residue 169
PRO
Atom CE1 of residue 502
Atom O of residue 123
Atom N of residue 71
MET
ARG
Atom CA of residue 168
Atom CA of residue 328
Atom OE2 of residue 54
Atom CA of residue 167
Atom CA of residue 79
Atom N of residue 502
THR
ARG
Atom CA of residue 163
Atom CA of residue 123
Atom OG1 of residue 70
PRO
Atom CA of residue 162
PRO
Atom CA of residue 161
THR
Atom CA of residue 160
Atom CG of residue 517
TRP
Atom C of residue 37
LEU
Atom CA of residue 159
Atom CA of residue 87
Atom CG of residue 40
Atom CA of residue 154
Atom CA of residue 110
PRO
Atom CA of residue 86
PRO
Atom CA of residue 84
Atom CA of residue 439
Atom N of residue 113
THR
Atom CA of residue 82
LEU
Atom CA of residue 79
Atom OE1 of residue 122
MET
GLY
Atom CA of residue 78
Atom CB of residue 494
Atom CD of residue 11
Atom O of residue 122
SER
Atom CA of residue 505
Atom CG of residue 66
Atom O of residue 494
Atom CG2 of residue 73
PRO
Atom C of residue 122
Atom CZ of residue 69
TYR
Atom CA of residue 76
Atom C of residue 555
Atom C of residue 3
Atom CA of residue 75
LEU
Atom N of residue 122
SER
Atom CA of residue 74
CYS
VAL
LEU
GLN
Atom CA of residue 72
GLU
ARG
PRO
Atom CA of residue 67
Atom N of residue 554
Atom CA of residue 69
Atom C of residue 51
LEU
LYS
Atom CZ3 of residue 16
Atom CA of residue 67
THR
SER
Atom OD1 of residue 121
Atom OE2 of residue 35
Atom CA of residue 66
Atom CA of residue 362
ARG
Atom CA of residue 531
GLN
Atom CA of residue 65
Atom CA of residue 63
GLY
Atom CA of residue 62
MET
Atom CG of residue 36
Atom NH2 of residue 69
Atom CA of residue 60
Atom CA of residue 58
ARG
Atom CA of residue 291
Atom CA of residue 57
SER
GLY
Atom CA of residue 96
Atom CA of residue 56
Atom OH of residue 550
SER
TYR
Atom O of residue 454
Atom CA of residue 55
VAL
Atom CA of residue 54
Atom CA of residue 53
GLY
Atom CA of residue 52
THR
Atom CA of residue 51
Atom N of residue 442
Atom CG of residue 40
Atom C of residue 4
Atom CA of residue 242
TRP
Atom CA of residue 50
ASP
ALA
Atom CA of residue 569
Atom CA of residue 48
Atom CB of residue 71
GLN
HIS
Atom CA of residue 47
Atom CA of residue 45
ASN
Atom CA of residue 66
Atom CB of residue 496
GLU
Atom CA of residue 43
Atom CA of residue 517
LYS
Atom CA of residue 567
Atom CA of residue 42
LEU
Atom CA of residue 41
GLU
Atom CA of residue 40
GLU
Atom N of residue 85
Atom CD of residue 78
VAL
Atom CA of residue 39
Atom C of residue 10
PRO
Atom CA of residue 36
Atom CA of residue 32
Atom N of residue 492
Atom CA of residue 459
Atom CA of residue 35
Atom CA of residue 101
ASP
Atom CA of residue 571
Atom CA of residue 33
Atom CA of residue 31
Atom CA of residue 30
Atom CA of residue 37
GLN
Atom CA of residue 29
Atom C of residue 146
Atom CA of residue 28
Atom CA of residue 27
Atom N of residue 104
Atom CA of residue 26
TYR
Atom CA of residue 25
Atom CA of residue 24
GLU
Atom CA of residue 247
Atom CA of residue 29
Atom CB of residue 491
Atom CA of residue 23
SER
Atom CA of residue 518
Atom CG of residue 151
SER
Atom CA of residue 9
Atom CA of residue 506
TRP
GLU
GLN
Atom C of residue 108
Atom CA of residue 20
Atom CG2 of residue 455
PRO
CYS
PHE
Atom CA of residue 18
Atom CA of residue 17
Atom CA of residue 15
ARG
Atom CA of residue 572
Atom CA of residue 14
Atom O of residue 71
Atom CA of residue 13
SER
ALA
VAL
Atom CA of residue 8
Atom CA of residue 567
GLU
Atom CA of residue 571
Atom CA of residue 7
Atom CA of residue 219
Atom CA of residue 549
ASP
MET
Atom CA of residue 58
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.mrc
LEU
Atom CZ of residue 502
Atom N of residue 20
Atom CB of residue 438
Atom CA of residue 102
Atom CA of residue 5
Atom CG of residue 42
Atom CA of residue 4
Atom SG of residue 138
THR
SER
SER
ALA
Atom CA of residue 565
ALA
Atom CA of residue 15
THR
ALA
Chain B
Atom CA of residue 37
Atom CA of residue 1
Atom CA of residue 68
Atom CD1 of residue 440
normalize rigid bodies
SER
NullModifier5
Atom CG of residue 565
SER
ASP
Atom CB of residue 96
Atom CA of residue 2693
Atom N of residue 500
GLY
Atom CA of residue 2692
ASP
Atom CA of residue 2691
LEU
Atom CG2 of residue 564
Atom CA of residue 2690
TYR
Atom CA of residue 2689
Atom CA of residue 2687
Atom CA of residue 549
Atom CE of residue 498
Atom O of residue 25
GLY
Atom CA of residue 20
Atom CA of residue 2686
ASN
Atom CA of residue 2685
Atom N of residue 142
CoarseCC6
Atom CA of residue 2684
Atom CA of residue 2683
Atom CA of residue 135
LYS
VAL
Atom CA of residue 2681
THR
Atom CA of residue 2680
THR
Atom NE1 of residue 104
Atom CG2 of residue 92
PHE
Atom CA of residue 58
Atom CA of residue 539
Atom CB of residue 496
Atom CA of residue 2677
ASP
Atom CB of residue 561
Atom CA of residue 2675
GLY
ASP
Atom CA of residue 140
GLY
ASP
Atom CA of residue 2673
GLU
Atom CA of residue 2638
GLU
Atom CA of residue 259
ALA
Atom CA of residue 2672
Atom CA of residue 40
GLU
Atom CA of residue 2671
GLU
LYS
ALA
Atom CA of residue 2670
Atom O of residue 560
GLU
Atom CA of residue 2669
Atom CA of residue 19
Atom C of residue 90
SER
ASP
Atom CA of residue 90
Atom CA of residue 283
Atom CA of residue 2668
ALA
VAL
Atom CA of residue 2667
Atom CA of residue 19
TYR
Atom O of residue 559
Atom CA of residue 2666
Atom CA of residue 2665
ALA
PRO
Atom CA of residue 2664
Atom O of residue 493
Atom N of residue 138
Atom N of residue 133
ARG
Atom CA of residue 2663
Atom CA of residue 452
Atom O of residue 137
Atom CA of residue 6
Atom CA of residue 240
Atom CA of residue 2659
Atom C of residue 136
LEU
input1.pdb
TYR
Atom CA of residue 2653
Atom CA of residue 2652
LYS
THR
Atom C of residue 490
Atom CA of residue 2649
Atom CA of residue 16
ALA
VAL
Atom CA of residue 2648
Atom ND2 of residue 85
Atom CA of residue 330
Atom N of residue 16
LEU
ALA
Atom C of residue 120
Atom CB of residue 34
ALA
LEU
GLN
Atom CA of residue 580
Atom CA of residue 2644
HIS
ALA
Atom CA of residue 578
Atom CA of residue 2642
ARG
THR
Atom CA of residue 576
Atom CA of residue 2640
Atom CA of residue 253
SER
Atom CB of residue 127
Atom CA of residue 575
Atom CA of residue 2639
Atom CA of residue 17
Atom CD of residue 487
ASP
Atom CA of residue 319
Atom CA of residue 2637
Atom CA of residue 105
Atom CA of residue 395
TYR
Atom CG of residue 132
Atom CA of residue 394
VAL
Atom CA of residue 2635
Atom CB of residue 131
Atom CA of residue 2632
Atom N of residue 78
ALA
Atom CB of residue 486
ASP
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.mrc
LEU
Atom N of residue 486
Atom O of residue 82
Atom C of residue 125
Chain D
Atom CA of residue 125
Atom CA of residue 2629
VAL
Atom CA of residue 585
LEU
Atom CA of residue 584
Atom CA of residue 298
PHE
THR
Atom CA of residue 581
Atom CA of residue 580
Atom CA of residue 579
Atom CA of residue 184
HIS
Atom CA of residue 578
Atom CG of residue 122
Fit restraint scratch map
ARG
SER
ALA
GLU
PHE
Atom CA of residue 575
Atom CA of residue 290
Atom CA of residue 574
LEU
Atom C of residue 122
PHE
Atom CB of residue 440
Atom CA of residue 573
GLU
LEU
Atom CA of residue 570
Atom CA of residue 569
SER
Atom CA of residue 568
PHE
Atom CA of residue 567
ALA
Atom CA of residue 566
Atom CA of residue 565
THR
PHE
Atom CB of residue 77
Atom CA of residue 564
Atom CB of residue 44
Atom CA of residue 244
1z5s_A.pdb
VAL
Atom CA of residue 563
PHE
Atom C of residue 148
Atom CA of residue 562
Atom CA of residue 69
ALA
Atom N of residue 148
LEU
LEU
Atom C of residue 119
LEU
LEU
PRO
Atom CA of residue 555
LYS
Atom CA of residue 553
Atom CA of residue 552
Atom CE of residue 74
TYR
Atom CA of residue 550
Atom N of residue 67
Atom CA of residue 549
Atom CA of residue 548
Atom CA of residue 56
GLN
VAL
Atom CA of residue 546
Atom CA of residue 545
HIS
Atom CA of residue 544
Atom CA of residue 542
Atom CG of residue 72
THR
Atom CG of residue 102
Atom CA of residue 541
MET
Atom CA of residue 566
Atom CA of residue 260
Atom CA of residue 540
LEU
Atom CA of residue 539
Atom CA of residue 538
TYR
Atom CA of residue 535
ASN
Atom CA of residue 534
ALA
Atom N of residue 83
SER
Atom CA of residue 531
Atom CA of residue 556
PRO
LYS
Atom CD2 of residue 155
Atom CA of residue 530
VAL
Atom CA of residue 529
Atom CA of residue 528
Atom CA of residue 527
Atom CA of residue 478
GLU
Atom CD of residue 99
Atom CA of residue 526
Atom CA of residue 62
LEU
LEU
Atom CA of residue 95
LEU
TRP
ILE
Atom CA of residue 517
Atom ND2 of residue 85
Atom CG of residue 97
MET
Atom CA of residue 34
ASN
Atom CA of residue 516
SER
Atom CA of residue 338
LYS
LEU
Atom CA of residue 33
Atom CA of residue 337
Atom CA of residue 515
ILE
SampledDensityMap10
Atom CA of residue 514
PHE
Atom CA of residue 485
Atom CA of residue 510
ARG
ALA
SER
LEU
ILE
ASP
Atom CA of residue 484
Atom CA of residue 509
GLU
Atom C of residue 151
GLU
ASN
CYS
ARG
Atom CA of residue 508
Atom CA of residue 2681
Atom CA of residue 32
Atom O of residue 65
VAL
ASN
Atom CA of residue 507
Atom CE2 of residue 64
Atom N of residue 150
Atom CA of residue 504
ASN
PHE
ALA
Atom CB of residue 64
Atom C of residue 94
Atom CA of residue 501
PHE
GLN
Atom CA of residue 499
MET
Atom CA of residue 498
LEU
Atom CA of residue 497
ASP
Atom CA of residue 2666
Atom CA of residue 15
Atom CG of residue 62
GLN
Atom CG2 of residue 91
VAL
ALA
MET
THR
Atom C of residue 566
ARG
THR
ALA
PHE
Atom OE2 of residue 467
VAL
SER
Atom O of residue 60
Atom CA of residue 505
Atom C of residue 564
PRO
Atom CA of residue 209
SER
SER
ILE
LYS
Atom CA of residue 474
VAL
Atom CA of residue 195
ALA
Atom CA of residue 472
SER
Atom CA of residue 471
VAL
Atom CA of residue 470
Atom N of residue 87
Atom CA of residue 469
LYS
GLU
Atom CA of residue 15
Atom CA of residue 467
Atom CA of residue 465
PRO
Atom CA of residue 466
ASP
Atom CA of residue 465
SER
ALA
ASP
Atom C of residue 27
Atom CA of residue 461
GLN
Atom CA of residue 460
LYS
Atom CA of residue 459
Atom CB of residue 108
ALA
Atom N of residue 59
THR
Atom CA of residue 458
Atom CA of residue 457
LEU
Atom CA of residue 70
Atom CG of residue 146
MET
Atom CA of residue 456
LYS
PRO
Atom CB of residue 146
Model 1
VAL
Atom CA of residue 49
Atom CA of residue 453
Atom CA of residue 82
Atom O of residue 146
Atom CA of residue 74
Atom CA of residue 548
LEU
Atom CA of residue 455
SER
Atom CA of residue 454
PHE
SER
ALA
Atom N of residue 461
PRO
Atom CA of residue 452
Atom CA of residue 450
Atom CB of residue 460
Atom CA of residue 449
ARG
Atom CA of residue 448
Atom CA of residue 447
Atom O of residue 53
Atom CA of residue 446
LYS
Atom CA of residue 444
PRO
PRO
Atom CA of residue 441
PHE
ALA
LEU
LEU
Atom CA of residue 438
Atom CD1 of residue 457
Atom CB of residue 42
PHE
GLY
GLU
CYS
Atom CA of residue 437
Atom CA of residue 436
THR
Atom CA of residue 435
ASP
Atom CB of residue 552
Atom CE2 of residue 41
ALA
Chain C
ASP
Atom CA of residue 432
GLY
THR
GLY
THR
THR
Atom CA of residue 94
Atom O of residue 455
Atom CA of residue 93
ARG
Atom CD2 of residue 77
GLN
Atom CA of residue 92
TYR
Atom N of residue 551
Atom CA of residue 90
Atom CB of residue 554
GLU
ASN
ILE
VAL
VAL
Atom C of residue 46
GLU
Atom CA of residue 49
Atom CA of residue 85
LYS
SER
python stream
PRO
GLU
Atom CG2 of residue 45
GLU
Atom N of residue 76
Atom CA of residue 83
MET
Atom CA of residue 82
GLY
Atom CA of residue 81
LEU
Atom CA of residue 80
Atom CA of residue 79
LYS
Atom CA of residue 78
Atom CA of residue 44
Atom CA of residue 437
Atom OE1 of residue 548
PRO
Atom CA of residue 63
Atom CG of residue 74
Atom CA of residue 77
Atom CA of residue 76
HIS
Atom CA of residue 450
Atom CA of residue 75
LEU
GLY
Atom CA of residue 71
LEU
ASN
Atom CA of residue 74
ASP
Atom CA of residue 73
ALA
Atom CA of residue 72
Atom O of residue 73
ILE
GLN
Atom CA of residue 2
Atom CA of residue 136
GLY
Atom N of residue 547
Atom CA of residue 68
Atom N of residue 42
Atom CA of residue 135
GLU
Atom CA of residue 67
Atom CA of residue 66
Atom CA of residue 65
Atom C of residue 111
PHE
Atom CA of residue 111
Atom CA of residue 64
GLY
Atom CA of residue 63
Atom N of residue 71
Atom CA of residue 58
SER
Atom CA of residue 60
Atom CA of residue 71
MET
Atom N of residue 545
Atom CA of residue 59
VAL
GLY
GLN
Atom O of residue 109
Atom CA of residue 55
Atom CA of residue 120
Atom CA of residue 54
LEU
Atom CA of residue 50
GLN
Atom CA of residue 53
LYS
CYS
LEU
TYR
Atom CA of residue 51
LYS
Atom CD2 of residue 542
Atom CA of residue 48
LEU
Atom CA of residue 516
Atom CA of residue 27
Atom N of residue 68
LEU
Atom CA of residue 47
Atom CA of residue 45
Atom CA of residue 44
THR
LYS
Atom CA of residue 42
Atom OD2 of residue 66
THR
MET
Atom CA of residue 40
VAL
Atom CA of residue 38
Atom CA of residue 37
Atom N of residue 135
Atom CA of residue 102
PHE
ILE
VAL
Atom CA of residue 34
Atom NH2 of residue 115
GLU
SER
VAL
ILE
Atom CA of residue 104
Atom CA of residue 31
Atom C of residue 47
Atom O of residue 34
ARG
ASP
LYS
ASP
Atom CA of residue 30
GLY
Atom CB of residue 538
Atom CA of residue 29
GLY
ILE
VAL
Atom CA of residue 26
Atom N of residue 132
Atom CA of residue 14
GLU
Atom CA of residue 20
PRO
Atom CA of residue 157
ALA
Atom CA of residue 135
Atom O of residue 62
Atom CA of residue 156
Atom CA of residue 9
Atom CA of residue 155
LYS
Atom CA of residue 154
ALA
Atom CA of residue 153
Atom CA of residue 152
GLN
GLY
Atom C of residue 112
Atom CA of residue 151
ALA
VAL
Atom CA of residue 150
Atom CA of residue 98
Atom CB of residue 129
Atom ND2 of residue 534
ARG
VAL
ARG
Atom CA of residue 147
Atom N of residue 30
LYS
Atom OD1 of residue 136
Atom CA of residue 146
GLU
Atom CA of residue 145
TYR
Atom CA of residue 144
GLU
Atom CA of residue 143
Atom OD2 of residue 127
Atom CA of residue 142
Atom CA of residue 140
Atom CA of residue 138
Atom CA of residue 135
Atom CA of residue 137
Atom CA of residue 136
Atom C of residue 113
ALA
GLU
Atom CA of residue 104
ALA
Atom CA of residue 131
Atom CA of residue 438
Atom CA of residue 130
Atom CA of residue 57
Atom CA of residue 129
GLY
PRO
Atom CA of residue 128
Atom CA of residue 127
GLN
Atom CA of residue 133
Atom CA of residue 120
LEU
GLU
Atom CA of residue 118
Atom CD of residue 530
Atom O of residue 105
GLN
Atom CG of residue 530
Atom CA of residue 130
Atom CA of residue 117
ILE
GLY
LEU
VAL
LEU
LEU
GLN
Atom CB of residue 19
LYS
Atom CA of residue 110
ILE
Atom C of residue 104
Atom CA of residue 109
Atom CA of residue 305
THR
Atom CD of residue 528
Atom CA of residue 108
ILE
Atom CA of residue 107
Atom CB of residue 127
ALA
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
Atom CA of residue 106
Atom CA of residue 105
ARG
Atom O of residue 51
Atom CA of residue 104
Atom CB of residue 103
TRP
Atom CA of residue 103
LYS
ASP
Atom CA of residue 80
SER
Atom CA of residue 100
Atom CA of residue 98
Atom CA of residue 509
LEU
Atom CB of residue 102
Atom CA of residue 97
ILE
Atom CA of residue 96
Atom CD of residue 88
Atom CA of residue 34
SER
Atom CG of residue 88
Atom CA of residue 95
LEU
CYS
THR
GLY
SER
PRO
TYR
ASN
Atom N of residue 15
PRO
Atom NE of residue 69
Atom CA of residue 122
Atom N of residue 123
HIS
PHE
Atom CB of residue 14
LEU
PRO
PRO
GLU
PHE
Atom CD1 of residue 120
LYS
Atom CA of residue 33
Atom CG1 of residue 30
Atom CA of residue 524
CYS
Atom C of residue 121
LYS
Atom CA of residue 38
LYS
PRO
GLU
PRO
Atom SD of residue 39
Atom CA of residue 17
Atom CA of residue 72
PRO
Atom O of residue 92
TYR
Atom CA of residue 68
Atom O of residue 93
ALA
Atom CA of residue 67
Atom O of residue 32
Atom CB of residue 523
LYS
Atom CG of residue 120
Atom CA of residue 65
PHE
Atom CA of residue 64
LEU
Atom CA of residue 63
MET
THR
Atom C of residue 11
Atom CA of residue 62
ARG
GLU
GLN
Atom CA of residue 61
LEU
Atom CH2 of residue 41
Atom CA of residue 57
GLY
Atom CA of residue 56
Atom CD of residue 118
GLY
GLU
Atom CA of residue 55
Atom C of residue 24
Atom NE of residue 50
Atom CA of residue 64
Atom OD1 of residue 40
GLU
Atom CA of residue 24
Atom CB of residue 40
PRO
Atom CA of residue 54
TRP
LEU
Atom N of residue 118
Atom CA of residue 53
PRO
LEU
Atom CA of residue 52
THR
ALA
Atom CA of residue 50
Atom CA of residue 139
Atom CA of residue 49
Atom CA of residue 48
Atom CG1 of residue 116
Atom CA of residue 47
Atom CA of residue 46
LYS
Atom CG2 of residue 518
Atom CA of residue 45
Atom N of residue 129
Atom CG2 of residue 45
Atom CD1 of residue 6
Atom CB of residue 90
Atom CA of residue 44
Atom CA of residue 7
CYS
Atom CA of residue 6
GLU
Atom CA of residue 42
TRP
Atom N of residue 5
Atom CB of residue 54
Atom CA of residue 444
Atom CD of residue 113
MET
Atom CG of residue 113
Atom CA of residue 39
PRO
Atom CA of residue 2644
Atom OG1 of residue 35
Atom CA of residue 443
LEU
Atom CA of residue 38
ASN
Atom CA of residue 62
Atom CA of residue 36
Atom C of residue 136
THR
Atom CA of residue 34
ILE
Atom CA of residue 33
PRO
VAL
Atom CA of residue 32
Atom O of residue 587
ALA
TYR
Atom CA of residue 31
LYS
ASN
PRO
Atom CD1 of residue 90
Atom CA of residue 30
THR
Atom CA of residue 2637
VAL
Atom CA of residue 29
Atom CA of residue 94
LEU
ALA
PRO
Atom CA of residue 28
Atom CA of residue 145
Atom CA of residue 26
VAL
Atom CA of residue 24
Atom C of residue 114
GLY
Atom CA of residue 114
Atom CA of residue 23
Atom O of residue 36
ARG
PHE
PHE
PRO
Atom CA of residue 333
Atom CA of residue 22
PRO
Atom CA of residue 21
VAL
HIS
LEU
Atom CA of residue 58
Atom CA of residue 500
ARG
ASP
Atom CA of residue 18
ARG
TRP
VAL
ALA
TYR
Atom O of residue 89
ARG
Atom CA of residue 328
Atom CA of residue 11
Atom CA of residue 4
Atom CA of residue 329
Atom CA of residue 10
LEU
LEU
Atom CA of residue 8
LEU
ALA
Atom CA of residue 5
Atom CA of residue 41
Atom C of residue 132
Atom CA of residue 3
SER
THR
Chain A
Atom O of residue 153
MapReaderWriter40
MapReaderWriter37
Atom CA of residue 2693
GLY
Atom CA of residue 2692
ASP
Atom C of residue 111
Atom CA of residue 2691
LEU
Atom OE1 of residue 36
Atom CB of residue 4
GLU
Atom CA of residue 2690
GLY
TYR
GLN
Atom CG of residue 85
Atom CA of residue 2689
Atom CG of residue 37
SER
Atom N of residue 4
Atom C of residue 512
LEU
Atom CA of residue 512
Atom CA of residue 2688
PHE
Atom CB of residue 73
LYS
Atom CA of residue 147
Atom CA of residue 2687
Atom ND2 of residue 31
LYS
GLY
Atom CA of residue 146
Atom CA of residue 2686
GLU
ASN
Atom CA of residue 424
Atom CA of residue 2683
Atom CA of residue 423
Atom CA of residue 2682
Atom N of residue 109
Atom CA of residue 2681
ALA
Atom CA of residue 2680
Atom CA of residue 586
THR
ILE
Atom CA of residue 2677
ASP
Atom CA of residue 2676
Atom CA of residue 582
GLU
Atom CA of residue 2675
ASP
Atom CE1 of residue 578
Atom CA of residue 2674
Atom CA of residue 580
ASP
Atom CA of residue 29
ALA
Atom CA of residue 2673
Atom CA of residue 8
GLY
Atom CA of residue 2671
Atom CA of residue 310
Atom CA of residue 84
GLU
Atom CA of residue 2670
Atom CB of residue 81
Atom OH of residue 68
SER
Atom CA of residue 574
VAL
Atom CA of residue 2667
TYR
Atom CA of residue 572
ASP
Atom CA of residue 2662
Atom CA of residue 567
Atom CA of residue 2661
PRO
TYR
Atom CD of residue 114
Atom CA of residue 141
LEU
Atom CA of residue 2660
ASP
CYS
Atom CA of residue 478
Atom CA of residue 565
Atom CA of residue 67
Atom CA of residue 2659
SER
THR
PHE
Atom CA of residue 57
Atom CD2 of residue 575
Atom ND1 of residue 79
Atom N of residue 67
PHE
Atom CA of residue 563
VAL
TYR
GLN
Atom CA of residue 107
LEU
Atom CA of residue 141
Atom CA of residue 26
PHE
Atom C of residue 506
THR
Atom CA of residue 506
Atom CA of residue 524
GLY
Atom CA of residue 106
ILE
SER
PRO
LYS
Atom CG of residue 78
LEU
Atom CA of residue 2651
Atom CA of residue 51
Atom NE of residue 103
LYS
Atom CA of residue 43
ALA
ILE
Atom CA of residue 2650
THR
Atom C of residue 65
Atom CA of residue 31
Atom CA of residue 2649
Atom CA of residue 46
Atom CA of residue 2647
SER
Atom OD1 of residue 503
ALA
TYR
Atom CA of residue 2646
PRO
Atom CA of residue 578
Atom CA of residue 2677
LYS
VAL
Atom CA of residue 2645
GLN
Atom CA of residue 2644
Atom CA of residue 2675
GLU
mol0
Atom CA of residue 2641
PRO
Atom CA of residue 2640
Atom O of residue 77
Atom CA of residue 2671
Atom CA of residue 52
THR
Atom CA of residue 2639
Atom O of residue 502
LEU
PRO
Atom C of residue 502
Atom CA of residue 2638
GLU
Atom SD of residue 76
TYR
VAL
Atom CA of residue 2630
Atom CA of residue 114
THR
Atom CA of residue 2634
GLU
ASP
LEU
GLY
VAL
Atom CD of residue 133
Atom CA of residue 112
SER
ASP
Atom CA of residue 2632
ALA
ASP
LEU
VAL
TYR
Atom C of residue 99
Atom CA of residue 2630
THR
Atom CA of residue 564
Atom CA of residue 254
THR
Atom CG2 of residue 494
Atom C of residue 69
VAL
Atom CA of residue 563
Atom CA of residue 562
Atom CA of residue 561
LEU
Atom CA of residue 559
Atom O of residue 10
PRO
Atom CA of residue 555
Atom O of residue 492
Atom CA of residue 554
Atom CD of residue 566
Atom CA of residue 130
LYS
Atom CA of residue 553
Atom C of residue 66
Atom CA of residue 552
Atom CA of residue 551
Atom N of residue 566
TYR
TYR
TYR
Atom CA of residue 550
Atom CA of residue 135
Atom CA of residue 549
Atom CA of residue 110
Atom CA of residue 548
ARG
GLN
Atom CA of residue 545
Atom CA of residue 544
Atom C of residue 64
Atom CA of residue 543
MET
Atom CA of residue 542
Atom CA of residue 54
ALA
Atom CB of residue 139
Atom CA of residue 541
Atom CA of residue 561
Atom CB of residue 490
Atom CA of residue 50
Atom CA of residue 540
LEU
VAL
Atom CA of residue 539
Atom CA of residue 533
Atom CA of residue 532
ALA
LEU
Atom CA of residue 531
ILE
Atom CA of residue 530
Atom O of residue 120
LYS
VAL
Atom CA of residue 529
Atom CA of residue 471
Atom CA of residue 2638
LYS
Atom CA of residue 528
Atom CA of residue 470
Atom CA of residue 527
Atom CG of residue 21
Atom CA of residue 525
LYS
Atom CA of residue 524
Atom CA of residue 521
Atom CA of residue 463
Atom OE1 of residue 12
Atom CA of residue 36
MET
GLY
Atom CA of residue 462
Atom CB of residue 7
HIS
Atom CA of residue 519
Atom CA of residue 46
Atom CA of residue 518
Atom CD1 of residue 9
Atom CA of residue 460
Atom C of residue 484
Atom C of residue 14
Atom CA of residue 207
LEU
Atom CA of residue 516
Atom CA of residue 515
Atom CA of residue 456
Atom CA of residue 566
Atom CA of residue 514
PRO
LEU
Atom CA of residue 513
Atom CA of residue 512
Atom CA of residue 511
Atom CA of residue 510
VAL
Atom CA of residue 509
Atom C of residue 556
VAL
Atom CA of residue 449
TYR
Atom CA of residue 67
Atom CA of residue 508
PHE
LYS
Atom CA of residue 90
Atom CA of residue 192
SER
Atom CA of residue 503
Atom CA of residue 190
PHE
Atom CA of residue 442
Atom CA of residue 501
PRO
Atom CA of residue 188
LYS
GLN
Atom CA of residue 99
Atom CA of residue 440
Atom CA of residue 499
GLU
ALA
Atom CA of residue 186
MET
Atom CA of residue 98
Atom CA of residue 439
Atom CA of residue 498
LYS
LEU
LEU
Atom CA of residue 495
Atom CA of residue 182
VAL
Atom CA of residue 494
Atom CA of residue 493
ASP
Atom OD1 of residue 495
Chain C
Atom CA of residue 492
Atom CA of residue 179
GLN
Atom CA of residue 52
Atom CA of residue 491
Atom C of residue 445
GLY
VAL
LYS
ALA
Atom CD2 of residue 560
Atom CA of residue 489
python stream
MET
Atom CA of residue 488
ARG
Atom CA of residue 487
VAL
Atom CA of residue 486
THR
Atom CA of residue 485
Atom CA of residue 71
ALA
Atom CA of residue 484
Atom N of residue 477
Atom CA of residue 483
ASP
Atom CG of residue 50
LYS
Atom CA of residue 481
Atom CA of residue 239
Atom C of residue 443
PHE
PRO
VAL
Atom CA of residue 479
Atom CA of residue 319
SER
Atom CG1 of residue 125
Atom CB of residue 154
Atom CA of residue 51
VAL
Atom CA of residue 475
Atom N of residue 70
ARG
SER
Atom CA of residue 462
THR
ASN
Atom CA of residue 461
Atom CA of residue 55
HIS
GLN
Atom CA of residue 339
Atom CA of residue 460
NormalizeRotation1
Atom CA of residue 459
Atom CA of residue 458
ILE
VAL
Atom CA of residue 2689
Atom CA of residue 456
LEU
Atom CA of residue 504
Atom CG2 of residue 125
THR
Atom CA of residue 455
Atom CA of residue 454
SER
LYS
LEU
Atom CA of residue 453
PHE
Atom CA of residue 11
LYS
PRO
Atom NE2 of residue 79
Atom CA of residue 74
GLU
GLY
Atom O of residue 548
Atom CA of residue 450
Atom CA of residue 449
Atom CA of residue 263
Atom CA of residue 446
Atom C of residue 42
LYS
SER
GLU
Atom CA of residue 40
Atom CA of residue 444
MET
Atom O of residue 434
Atom CB of residue 432
Atom CA of residue 443
SER
PRO
Atom CA of residue 441
Atom CA of residue 217
Atom CA of residue 438
Atom CA of residue 40
THR
Atom CA of residue 466
Atom CB of residue 102
TYR
SER
Atom CA of residue 435
VAL
Atom CA of residue 434
ASP
ASP
Atom C of residue 39
Atom CA of residue 433
Atom CB of residue 465
Atom CA of residue 28
ALA
ASN
Atom CA of residue 293
Atom CA of residue 432
Atom CA of residue 90
Atom CA of residue 88
VAL
Atom CA of residue 86
GLU
Atom CA of residue 84
GLU
Atom CA of residue 83
Atom CG of residue 153
MET
Atom CA of residue 82
GLY
Atom CA of residue 81
LEU
GLN
Atom CA of residue 278
GLU
Atom CB of residue 34
Atom CA of residue 79
ASP
HIS
MET
Atom CA of residue 75
ASN
Atom CA of residue 74
Atom O of residue 151
Atom CG of residue 542
Atom CA of residue 73
Atom CA of residue 72
ILE
Atom CA of residue 71
ARG
Atom CA of residue 70
GLY
Atom CA of residue 135
Atom CA of residue 9
Atom CA of residue 541
GLU
Atom CA of residue 67
PHE
Atom C of residue 6
SER
PRO
Atom CA of residue 66
LEU
Atom CA of residue 65
PHE
Atom CB of residue 457
ARG
Atom CA of residue 59
ARG
LEU
Atom CA of residue 62
Atom CA of residue 2635
Atom CA of residue 149
SER
Atom CA of residue 61
Atom CE1 of residue 536
ASN
LEU
Atom CD1 of residue 456
Atom CA of residue 60
Atom CA of residue 58
VAL
ARG
Atom CA of residue 57
GLY
Atom CD of residue 571
Atom CA of residue 145
Atom NH1 of residue 29
GLN
Atom CA of residue 55
Atom CA of residue 136
ARG
Atom CA of residue 54
Atom O of residue 56
GLN
Atom CA of residue 50
Atom CD of residue 147
Atom CA of residue 49
Atom OG of residue 453
Atom CA of residue 123
Atom CA of residue 48
Atom CA of residue 47
Atom CB of residue 533
Atom CA of residue 46
Atom CA of residue 45
Atom NH1 of residue 103
Atom CA of residue 119
Atom CA of residue 42
Atom CA of residue 41
Atom CA of residue 40
Atom CA of residue 110
PHE
ILE
LEU
ALA
Atom CB of residue 77
Atom CA of residue 29
ARG
Atom CA of residue 138
Atom O of residue 18
GLY
Atom CA of residue 27
LEU
VAL
Atom CA of residue 26
LYS
Atom CA of residue 25
LEU
Atom CA of residue 24
GLY
LYS
Atom CA of residue 23
ILE
Atom O of residue 17
Atom CA of residue 22
Atom CA of residue 21
Atom CA of residue 415
Atom CA of residue 86
GLN
Chain B
Atom CA of residue 20
Atom CA of residue 20
Atom CA of residue 414
Atom CB of residue 46
Atom CA of residue 85
PRO
ALA
Atom CA of residue 157
Atom CA of residue 413
Atom CA of residue 84
Atom CA of residue 569
Atom CA of residue 64
Atom CA of residue 75
ALA
Atom CA of residue 21
Atom CA of residue 156
Atom CA of residue 412
Atom CA of residue 83
Atom N of residue 75
PHE
Atom CA of residue 155
Atom CA of residue 411
Atom CA of residue 82
LEU
LYS
LYS
GLY
Atom CA of residue 154
Atom CA of residue 410
Atom CA of residue 81
Atom O of residue 61
LYS
LEU
TYR
Atom CA of residue 153
Atom CA of residue 408
Atom CA of residue 79
GLN
Atom CA of residue 407
Atom CA of residue 78
GLU
LEU
ALA
Atom CA of residue 406
Atom CA of residue 77
TRP
GLY
ARG
Atom CA of residue 53
Atom CA of residue 268
Atom CA of residue 149
Atom CA of residue 405
Atom CA of residue 76
VAL
Atom CA of residue 52
Atom CA of residue 267
Atom CA of residue 148
Atom CA of residue 404
Atom CA of residue 75
ARG
Atom CA of residue 32
Atom CA of residue 147
Atom CA of residue 403
Atom CA of residue 74
LYS
Atom CA of residue 72
GLU
Atom N of residue 97
Atom CA of residue 145
Atom CA of residue 88
TYR
Atom CA of residue 136
Atom CA of residue 79
Atom CA of residue 2641
THR
THR
Atom CA of residue 133
Atom O of residue 56
ALA
Atom CA of residue 70
LEU
Atom CA of residue 129
ALA
GLY
PRO
Atom CA of residue 126
Atom CA of residue 582
Atom CA of residue 442
Atom O of residue 21
Atom CA of residue 124
PRO
PRO
Atom CA of residue 123
Atom O of residue 40
GLU
GLN
TRP
ASN
TYR
Atom CA of residue 121
Atom NE2 of residue 63
GLU
LEU
Atom CA of residue 120
LEU
Atom O of residue 491
GLN
Atom CA of residue 119
Atom CD of residue 565
GLN
Atom CA of residue 56
Atom CA of residue 75
SER
LEU
Atom CA of residue 55
LEU
Atom CE of residue 64
Atom CA of residue 113
VAL
Atom CA of residue 115
Atom N of residue 490
Atom CA of residue 74
ASP
Atom CA of residue 28
ARG
ILE
Atom CA of residue 112
GLN
Atom CA of residue 111
ILE
LYS
Atom CA of residue 110
Atom CA of residue 482
ILE
LEU
Atom CB of residue 563
Atom CE of residue 488
PRO
Atom CA of residue 109
Atom CA of residue 481
GLY
ASN
Atom O of residue 52
THR
Atom CA of residue 107
Atom CA of residue 2648
PRO
Atom CA of residue 104
ILE
Atom CA of residue 103
Atom CA of residue 30
Atom CA of residue 102
Atom CA of residue 2644
LYS
LYS
Atom CA of residue 29
Atom CA of residue 101
Atom CA of residue 2643
ASP
ALA
Atom CA of residue 2642
GLU
Atom CA of residue 99
Atom CA of residue 98
THR
LEU
Atom CA of residue 2641
Atom CA of residue 97
Atom CA of residue 67
PRO
ILE
GLN
CYS
VAL
THR
Atom CA of residue 336
LEU
Atom CA of residue 91
GLY
LEU
Atom O of residue 485
Atom CA of residue 2634
Atom CA of residue 90
Atom CA of residue 89
PRO
Atom C of residue 60
LEU
Atom CA of residue 88
Atom CA of residue 47
TYR
ARG
GLY
Atom CA of residue 87
VAL
Atom CA of residue 86
LEU
TRP
Atom CA of residue 9
ASN
Atom CA of residue 85
SER
PRO
Atom CA of residue 84
Atom CA of residue 94
Atom CA of residue 75
THR
HIS
Atom CA of residue 2661
Atom C of residue 558
Atom CA of residue 204
Atom CA of residue 83
LEU
LEU
Atom CA of residue 81
PRO
PRO
Atom N of residue 483
Atom CA of residue 79
GLU
Atom CA of residue 72
Atom CA of residue 198
ASN
Atom CA of residue 78
PHE
Atom CG2 of residue 56
SER
Atom CB of residue 57
Atom CA of residue 77
LYS
Atom CA of residue 76
Atom CD of residue 565
CYS
ARG
LYS
Atom CA of residue 448
Atom CA of residue 74
PRO
Atom CG1 of residue 56
Atom CA of residue 73
SER
SER
Atom CA of residue 20
PRO
Atom O of residue 438
Atom CA of residue 12
Atom CA of residue 83
ASP
Atom N of residue 45
ASP
Atom CA of residue 2651
Model 27
Atom CD1 of residue 555
ASP
LEU
LYS
Atom CA of residue 27
Atom C of residue 56
Atom CA of residue 65
VAL
Atom CA of residue 64
Atom CA of residue 15
MET
Atom CA of residue 62
ARG
Atom CA of residue 61
Atom CA of residue 60
Atom CA of residue 59
PHE
Atom CA of residue 58
Atom CA of residue 57
GLY
Atom CA of residue 56
GLY
Atom CA of residue 53
Atom CA of residue 52
THR
Atom CA of residue 51
GLY
LYS
Atom CA of residue 49
LYS
Atom CA of residue 48
PRO
PRO
Atom CA of residue 46
ILE
Atom CD of residue 49
ALA
Atom CG of residue 49
Atom CA of residue 44
ARG
Atom CD2 of residue 474
CYS
Atom CA of residue 43
LYS
Atom CA of residue 23
Atom CA of residue 42
TRP
Atom CA of residue 41
ASN
Atom CG of residue 438
ASP
THR
Atom C of residue 39
GLY
ASP
Atom CA of residue 478
Atom CA of residue 33
Atom CA of residue 33
SER
PRO
PRO
Atom CA of residue 477
Atom CA of residue 32
Atom CA of residue 32
VAL
ASN
ASN
Atom CA of residue 476
Atom CA of residue 31
Atom CA of residue 31
LYS
LYS
LYS
THR
Atom CA of residue 482
Atom CG of residue 140
Atom CG1 of residue 470
VAL
Atom CA of residue 27
ALA
Atom CA of residue 45
Atom CA of residue 26
PRO
Atom CA of residue 15
Atom NE2 of residue 548
Atom CA of residue 21
HIS
Atom CA of residue 20
ASP
Atom CA of residue 19
LYS
Atom CA of residue 18
Atom C of residue 154
ASP
ARG
Atom CA of residue 16
LYS
VAL
ARG
GLY
Atom CA of residue 451
Atom CA of residue 13
PRO
GLN
Atom CA of residue 54
Atom CA of residue 11
Atom CA of residue 442
LYS
ALA
Atom N of residue 155
Atom CA of residue 10
ARG
GLU
GLN
Atom CA of residue 8
Atom C of residue 434
SER
LEU
Atom CG of residue 466
Atom CA of residue 6
ALA
Atom CA of residue 11
Atom C of residue 41
Atom CA of residue 4
Atom CA of residue 3
SER
Atom CG2 of residue 27
Chain A
Atom CA of residue 545
Atom O of residue 156
input1.pdb
Atom O of residue 52
Model 36
Atom CA of residue 500
DensityMap887
Atom CA of residue 155
ALA
Atom CG of residue 36
SER
ASN
Atom CA of residue 2693
Atom CA of residue 13
P4
Atom CA of residue 457
GLY
ASN
Atom CA of residue 2692
ASP
Atom CD of residue 153
Atom OG1 of residue 461
Atom OE2 of residue 35
Atom CA of residue 24
TYR
LEU
LYS
Atom CA of residue 2687
Atom N of residue 461
GLY
Atom N of residue 541
Atom CA of residue 2686
Atom CA of residue 277
Atom CA of residue 2685
Atom CA of residue 152
Atom CA of residue 2683
Atom CA of residue 22
Atom CA of residue 2682
Atom CA of residue 21
Atom CA of residue 271
Atom CA of residue 34
Atom CA of residue 2681
Atom CA of residue 2678
LEU
Atom CA of residue 2677
ASP
Atom CA of residue 2676
Atom O of residue 33
GLU
Atom CA of residue 2675
Atom O of residue 458
ASP
PRO
Atom CA of residue 2673
Atom CA of residue 2672
Atom O of residue 537
GLU
Atom NE of residue 17
Atom CA of residue 2671
Atom OD2 of residue 59
GLU
GLU
GLU
LYS
Atom CA of residue 2667
TYR
VAL
TYR
Atom CA of residue 2666
Atom CA of residue 14
Atom CZ3 of residue 16
ASP
Atom O of residue 55
Atom CA of residue 142
PRO
Atom CA of residue 3
Atom CA of residue 2664
ARG
Atom CA of residue 2663
Atom N of residue 536
ASN
Atom CA of residue 267
Atom CA of residue 2662
LYS
Atom CA of residue 2661
Atom CA of residue 579
Atom CA of residue 2657
HIS
THR
PRO
ARG
PRO
GLU
Atom CA of residue 130
ARG
PRO
ARG
Atom CA of residue 353
Atom O of residue 453
Atom CD2 of residue 53
Atom CA of residue 121
LEU
Atom CA of residue 2653
LYS
Atom C of residue 533
LEU
Atom CB of residue 145
Atom CA of residue 2646
Atom CA of residue 113
PRO
LYS
Atom CA of residue 266
Atom CA of residue 2645
GLN
Atom CA of residue 265
Atom CA of residue 2644
PRO
Atom CA of residue 261
Atom CA of residue 2640
GLY
THR
LEU
Atom O of residue 25
Atom CB of residue 51
GLU
Atom CA of residue 2637
TYR
Atom CA of residue 2636
Atom CA of residue 83
VAL
Atom CD of residue 133
PRO
ILE
LEU
Atom CA of residue 93
ARG
ASP
LEU
Atom CB of residue 528
Atom CA of residue 245
Atom CA of residue 2630
Atom CA of residue 3
Chain D
ARG
Atom CA of residue 2629
Atom CA of residue 33
LYS
Atom CA of residue 433
TYR
Atom CA of residue 77
Atom CA of residue 586
Atom CA of residue 273
MET
LEU
Atom CA of residue 272
HIS
THR
Atom CA of residue 579
HIS
Atom CA of residue 40
Atom CA of residue 578
Atom CA of residue 577
ALA
Atom CA of residue 576
Atom CA of residue 33
Atom CB of residue 525
PHE
ASN
Atom CA of residue 262
Atom CA of residue 574
TYR
CYS
Atom N of residue 45
ALA
ALA
Atom CA of residue 569
Atom CB of residue 443
Atom CA of residue 568
ASN
Atom CA of residue 567
Atom CD1 of residue 523
PRO
Atom CA of residue 566
Atom N of residue 530
LYS
THR
Atom CA of residue 17
Atom CA of residue 442
PHE
Atom CB of residue 148
Atom CA of residue 39
ALA
Atom CA of residue 560
Atom CA of residue 507
PRO
Atom CA of residue 558
Atom CA of residue 557
ALA
Atom CA of residue 556
LEU
Atom O of residue 125
Atom CA of residue 12
ALA
LYS
Atom CA of residue 553
Atom CA of residue 552
Atom CA of residue 551
TYR
Atom CA of residue 550
Atom CA of residue 549
PRO
GLN
Atom CA of residue 548
GLN
Atom C of residue 37
Atom CA of residue 547
ASN
Atom CA of residue 546
Atom CA of residue 545
Atom CA of residue 172
HIS
Atom CA of residue 544
Atom N of residue 438
Atom CA of residue 552
Atom CA of residue 34
Atom CA of residue 542
MET
Atom CA of residue 539
ALA
TYR
Atom CA of residue 496
Atom CA of residue 536
ASP
LEU
Atom CA of residue 534
Atom CB of residue 33
Atom CA of residue 208
Atom CB of residue 524
ALA
Atom CG of residue 111
MapReaderWriter38
VAL
Atom CA of residue 527
GLU
SER
Atom CA of residue 199
Atom CA of residue 28
Atom CA of residue 523
Atom CB of residue 31
VAL
Atom CG of residue 522
LEU
GLN
GLY
Atom CB of residue 118
Atom CA of residue 521
MET
Atom CA of residue 520
HIS
Atom CA of residue 512
Atom C of residue 157
Atom CD of residue 30
LEU
Atom CA of residue 109
Atom CA of residue 517
Atom CA of residue 391
Atom SD of residue 520
ALA
LEU
Atom CA of residue 191
Atom CG of residue 520
Atom CA of residue 516
Atom CA of residue 30
ARG
Atom CA of residue 390
ARG
Atom CA of residue 10
ILE
Atom CA of residue 515
Atom CA of residue 514
Atom CA of residue 387
PHE
Atom CA of residue 386
THR
DensityMap10
VAL
Atom CA of residue 44
Atom CA of residue 511
Atom CB of residue 23
Atom CA of residue 385
ASN
LYS
ALA
Atom CA of residue 510
Atom CD1 of residue 107
Atom CA of residue 367
Atom CA of residue 383
ASN
Atom N of residue 519
PHE
GLU
Atom CA of residue 507
VAL
Atom CA of residue 506
Atom OE2 of residue 17
Atom CA of residue 505
Atom CG of residue 17
Atom CA of residue 504
Atom CA of residue 377
PHE
Atom N of residue 154
Atom CA of residue 502
Atom CA of residue 510
Atom CA of residue 501
Atom CG of residue 153
ASN
Atom CA of residue 497
Atom CA of residue 496
Atom CA of residue 495
Atom CG of residue 104
Atom CA of residue 369
VAL
Atom CA of residue 493
Atom O of residue 508
Atom N of residue 12
Atom CA of residue 492
Atom CA of residue 366
GLN
Atom CH2 of residue 103
Atom CA of residue 491
Atom O of residue 151
Atom CA of residue 490
Atom CA of residue 489
Atom CA of residue 363
Atom CA of residue 532
MET
Atom CD of residue 111
Atom CA of residue 488
Atom CE1 of residue 507
Atom CA of residue 88
Atom CB of residue 103
Atom CA of residue 447
Atom CA of residue 145
Atom CA of residue 360
THR
Atom CA of residue 446
Atom CA of residue 144
ALA
ARG
Atom CA of residue 484
Atom CA of residue 445
Atom CA of residue 143
Atom CG2 of residue 14
GLU
Atom CA of residue 126
Atom CZ of residue 149
Atom CA of residue 443
Atom CA of residue 141
LYS
Atom CA of residue 442
Atom CA of residue 140
Atom O of residue 22
PHE
Atom CA of residue 139
VAL
Atom CA of residue 137
SER
LYS
Atom NE1 of residue 53
Atom CD of residue 101
Atom CA of residue 136
VAL
Atom CA of residue 9
Atom CB of residue 505
Atom CG of residue 101
Atom CA of residue 135
LYS
Atom CB of residue 112
Atom CG of residue 24
LEU
LEU
Atom CA of residue 475
Atom CA of residue 349
Atom CA of residue 474
PHE
Atom CA of residue 348
Atom CA of residue 473
Atom OD2 of residue 100
ALA
Atom CA of residue 82
Atom O of residue 504
Atom CA of residue 472
Atom C of residue 571
SER
Atom CA of residue 471
VAL
Atom CA of residue 470
Atom C of residue 570
VAL
Atom CA of residue 469
LYS
Atom CA of residue 468
Atom N of residue 569
Atom CB of residue 11
GLU
Atom CA of residue 467
Atom CA of residue 31
Atom CG1 of residue 486
Atom CA of residue 567
Atom CA of residue 30
Atom CA of residue 107
ASP
ASP
Atom CA of residue 465
GLN
Atom CA of residue 464
THR
Atom CA of residue 339
THR
ILE
Atom CA of residue 463
Atom CG of residue 80
Atom CD2 of residue 502
Atom CA of residue 338
ASP
THR
Atom CA of residue 461
GLN
Atom N of residue 12
Atom CA of residue 458
ILE
Atom CA of residue 3
Atom CA of residue 455
Atom CA of residue 544
SER
LYS
Atom CA of residue 452
Atom CA of residue 60
GLY
Atom CB of residue 499
Atom CA of residue 59
LEU
Atom NE1 of residue 16
Atom CA of residue 449
Atom C of residue 95
Atom CA of residue 95
Atom CA of residue 448
Atom CA of residue 106
SER
TRP
GLU
SER
Atom CA of residue 53
Atom CA of residue 444
Atom O of residue 506
PRO
PRO
SER
Atom CA of residue 442
PRO
ALA
Atom CA of residue 441
Atom N of residue 112
Atom CB of residue 141
PHE
TYR
Atom O of residue 505
LYS
Atom CA of residue 440
Atom CA of residue 127
Atom CA of residue 506
LEU
LEU
PHE
Atom CA of residue 510
Atom OD1 of residue 140
Atom N of residue 67
Atom CA of residue 13
Atom CA of residue 96
GLU
THR
Atom CB of residue 104
Atom C of residue 92
ARG
Chain D
SER
VAL
VAL
Atom CA of residue 53
VAL
Atom CA of residue 120
Atom CA of residue 16
ALA
ASP
Atom CA of residue 433
ALA
Atom CA of residue 432
Atom CA of residue 91
GLY
GLN
Atom CA of residue 95
Atom CA of residue 94
Atom CA of residue 91
GLU
Atom CA of residue 93
Atom CA of residue 281
LYS
Atom CA of residue 45
GLN
Atom CB of residue 501
Atom CA of residue 89
ILE
Atom CA of residue 88
Atom CA of residue 76
ASP
GLU
Atom CA of residue 145
GLU
Atom CA of residue 82
Atom CA of residue 80
Atom CG2 of residue 135
Atom NE of residue 13
Atom CA of residue 79
Atom CA of residue 78
PRO
PHE
Atom CA of residue 77
LEU
Atom CA of residue 76
Atom CA of residue 74
ILE
Atom CA of residue 73
Atom CD1 of residue 81
ALA
Atom CA of residue 72
Atom CA of residue 69
GLY
Atom C of residue 84
Atom CA of residue 68
PHE
Atom CA of residue 64
ARG
Atom CA of residue 61
Atom CB of residue 6
Atom CA of residue 60
MET
Atom C of residue 486
VAL
Atom CA of residue 11
Atom CA of residue 57
GLY
Atom CB of residue 125
ILE
Atom CA of residue 56
GLN
ARG
Atom CA of residue 54
Atom CA of residue 66
GLN
Atom CA of residue 52
Atom O of residue 81
TYR
Atom CA of residue 50
Atom CA of residue 48
Atom CA of residue 46
Atom C of residue 79
Atom CA of residue 291
THR
LEU
Atom CA of residue 79
Atom CA of residue 42
PRO
Atom N of residue 63
ARG
VAL
Atom CA of residue 368
Atom C of residue 490
Atom CA of residue 104
Atom CA of residue 38
Atom CA of residue 257
TRP
LYS
Atom CA of residue 284
SER
Atom CA of residue 37
Atom CD2 of residue 77
Atom CG of residue 120
ARG
Atom CA of residue 33
Atom CA of residue 32
ASP
GLN
ASN
Atom CA of residue 27
GLN
VAL
GLU
Atom CD of residue 487
Atom CA of residue 26
LEU
Atom CA of residue 24
THR
Atom CA of residue 84
Atom CB of residue 486
GLU
Atom O of residue 115
TYR
Atom CA of residue 144
GLU
ARG
ASN
Atom CA of residue 140
GLN
Atom CA of residue 139
CYS
Model 17
Atom CA of residue 138
TYR
Atom CD2 of residue 113
Atom CA of residue 137
Atom NH2 of residue 104
GLY
Atom C of residue 479
ILE
Atom CA of residue 285
Atom CA of residue 134
PRO
ALA
LEU
Atom CA of residue 133
ALA
Atom CA of residue 131
Atom CA of residue 129
PRO
Atom CA of residue 516
Atom CA of residue 522
Atom CA of residue 128
Atom NE2 of residue 111
ASP
ARG
Atom C of residue 68
GLN
Atom CA of residue 125
ASN
Atom CB of residue 14
Atom CA of residue 358
PRO
GLU
Atom CA of residue 122
Atom CA of residue 121
Atom CA of residue 5
Atom CA of residue 120
Atom CA of residue 355
LEU
Atom CA of residue 354
GLU
Atom OD1 of residue 19
PHE
LYS
Atom CA of residue 118
Atom CG2 of residue 96
Atom CA of residue 32
Atom CA of residue 9
Atom CE of residue 540
Atom CA of residue 117
Atom CG of residue 474
GLU
Atom CA of residue 352
Atom N of residue 63
GLY
GLU
ILE
Atom CA of residue 351
GLY
THR
Atom CA of residue 350
LEU
GLY
Atom CA of residue 114
LEU
Atom N of residue 109
ILE
Atom CA of residue 581
Atom CA of residue 230
Atom CA of residue 112
Atom O of residue 95
Atom CA of residue 92
Atom CA of residue 347
GLN
Atom CA of residue 91
Atom CA of residue 346
ILE
Atom CA of residue 109
THR
Atom N of residue 11
Atom CA of residue 473
Atom CD2 of residue 64
Atom N of residue 473
Atom OD2 of residue 6
Atom CA of residue 107
Atom CA of residue 342
ALA
Atom CA of residue 106
Atom CA of residue 341
PRO
Atom CA of residue 121
Atom CA of residue 19
Atom CA of residue 105
Atom CA of residue 93
Model 39
Atom CA of residue 102
LEU
Atom NH1 of residue 13
Atom CA of residue 337
Atom CA of residue 16
Atom CG1 of residue 5
LYS
Atom CA of residue 101
Atom CA of residue 100
Atom CD of residue 72
Atom OD1 of residue 102
Atom NH1 of residue 13
Atom CA of residue 99
Atom CA of residue 98
GLU
Atom C of residue 105
Atom CA of residue 334
Atom CE1 of residue 473
Atom CA of residue 97
ILE
Atom CA of residue 94
Atom CD2 of residue 94
CYS
Atom CA of residue 23
Atom CA of residue 93
Atom CA of residue 61
Atom CA of residue 92
ASN
THR
Atom CA of residue 91
Atom O of residue 107
THR
Atom CA of residue 64
Atom CA of residue 89
Atom CB of residue 93
Atom CA of residue 88
Atom CA of residue 61
Atom OG of residue 471
TYR
Atom CA of residue 87
Atom CA of residue 86
ASN
Atom CA of residue 85
PRO
Atom CA of residue 84
Atom N of residue 121
PHE
LEU
Atom CA of residue 81
Atom CA of residue 80
LYS
ILE
Atom CG of residue 115
Atom CA of residue 79
ILE
LYS
ALA
Atom CA of residue 68
GLU
CYS
Atom CA of residue 75
ARG
Atom CA of residue 559
LYS
SampledDensityMap84
Atom CA of residue 119
Atom CD2 of residue 68
Atom CA of residue 558
PRO
ASN
Atom CB of residue 114
Atom CG of residue 545
Atom CA of residue 70
Atom CA of residue 69
Atom CA of residue 68
Atom CA of residue 460
ASP
Atom CA of residue 66
ASN
Atom CA of residue 21
PHE
Atom CG of residue 118
ASP
LEU
Atom O of residue 75
PRO
MET
Chain B
Atom CA of residue 62
Atom N of residue 118
THR
ARG
MET
LEU
Atom CA of residue 508
GLY
LYS
Atom CA of residue 57
ASN
Atom CA of residue 25
GLY
Chain A
Atom CA of residue 55
Atom CA of residue 54
Atom CA of residue 53
PRO
Atom CA of residue 52
Atom CA of residue 543
THR
Atom CA of residue 82
Atom CA of residue 50
Atom CA of residue 49
PRO
GLY
GLY
Atom C of residue 476
PRO
Atom CA of residue 476
Atom O of residue 80
Atom OD2 of residue 67
Atom CB of residue 64
ILE
Atom CA of residue 46
GLY
Atom CA of residue 45
LEU
Atom CD2 of residue 97
CYS
ASN
Atom CA of residue 43
Atom CA of residue 42
Atom CA of residue 41
Atom CA of residue 524
ASN
Atom CA of residue 39
Atom CB of residue 9
Atom CA of residue 38
Atom CD1 of residue 96
Atom CA of residue 37
GLU
THR
GLY
Atom CA of residue 33
Atom CA of residue 462
GLN
PRO
Atom CA of residue 31
Atom O of residue 478
Atom CA of residue 4
Atom N of residue 100
LYS
Atom CG of residue 81
Atom N of residue 69
Atom CA of residue 29
PRO
Atom CA of residue 517
Atom CA of residue 523
ALA
GLY
Atom N of residue 480
VAL
Atom CA of residue 521
Atom CA of residue 81
Atom CA of residue 25
ALA
Atom CD of residue 98
MET
LEU
PHE
Atom N of residue 87
Atom CA of residue 196
Atom C of residue 104
Atom CG of residue 98
Atom CD of residue 61
Atom CA of residue 520
Atom CA of residue 80
Atom CA of residue 24
HIS
ILE
GLU
GLY
Atom CA of residue 38
Atom CA of residue 22
PRO
Atom O of residue 460
Atom CA of residue 37
Atom CA of residue 21
Atom CA of residue 19
Atom CA of residue 17
TRP
ALA
Atom CA of residue 15
ARG
SER
Atom CA of residue 13
Atom CA of residue 12
Atom CA of residue 121
GLN
ALA
Atom CA of residue 104
Atom CA of residue 10
ARG
Atom CA of residue 555
Atom CA of residue 8
TRP
Atom C of residue 553
Atom O of residue 460
Atom CA of residue 7
Atom CA of residue 6
Atom CA of residue 147
ALA
Atom C of residue 457
ILE
GLY
Atom CA of residue 3
Atom CA of residue 95
PHE
Chain A
input1.pdb
Atom CD of residue 13
Atom CA of residue 138
LEU
Atom CA of residue 2657
GLY
Atom CE of residue 14
ALA
Fit restraint internal rb map
Atom CG of residue 32
Atom CB of residue 130
Atom CA of residue 461
Atom CA of residue 573
Atom CA of residue 75
LYS
Atom CA of residue 455
SampledDensityMap30
Atom CB of residue 544
Atom CA of residue 111
Atom CA of residue 357
LYS
MET
Atom CA of residue 87
ALA
GLU
PHE
Atom CB of residue 69
SER
ILE
Atom CA of residue 317
Atom NZ of residue 110
GLN
Atom CA of residue 51
ASP
Atom CA of residue 2646
Atom C of residue 464
ARG
Atom CA of residue 40
SER
SER
Atom NE of residue 50
LYS
VAL
Atom CA of residue 115
Atom CA of residue 62
CYS
VAL
Atom CA of residue 37
ARG
Atom CA of residue 88
Chain C
Atom CA of residue 64
Atom C of residue 155
THR
Atom O of residue 7
THR
GLY
Atom CA of residue 52
Atom C of residue 123
Atom CB of residue 67
Atom NZ of residue 146
VAL
Atom CA of residue 32
LEU
Atom O of residue 534
Atom CA of residue 91
VAL
Atom CA of residue 257
Atom CA of residue 132
GLN
Atom CA of residue 4
Atom NZ of residue 528
SER
Atom CB of residue 120
ALA
Atom CA of residue 55
Atom CA of residue 483
Atom CA of residue 270
Atom N of residue 576
Atom CA of residue 17
Atom CA of residue 73
DensityMap5
TYR
Atom CD of residue 77
Atom CA of residue 517
ASP
GLU
LYS
Atom CA of residue 73
Atom CA of residue 581
Atom NZ of residue 468
Atom CA of residue 275
GLN
Atom CD of residue 49
Atom CA of residue 41
Atom CA of residue 138
Atom CA of residue 134
PRO
Atom CA of residue 77
Atom CA of residue 108
Atom CA of residue 575
Atom CA of residue 100
Atom CG of residue 79
Atom N of residue 86
Atom O of residue 124
Atom CA of residue 51
GLU
SER
Atom CA of residue 30
SER
Atom CA of residue 2693
Atom CA of residue 2692
Atom CA of residue 49
ASP
Atom CA of residue 130
Atom CA of residue 2691
Atom CB of residue 80
Atom C of residue 67
LEU
Atom CD of residue 483
Atom CA of residue 67
Atom CA of residue 2690
PHE
ALA
Atom NE1 of residue 104
Atom CA of residue 2689
Atom CA of residue 109
Atom CA of residue 38
Atom CA of residue 28
LEU
Atom CB of residue 5
Atom CA of residue 45
Atom CA of residue 108
Atom CA of residue 37
LYS
Atom CD2 of residue 85
ILE
Atom CA of residue 79
Atom CA of residue 2685
Atom CA of residue 104
LEU
Atom CA of residue 41
Atom CA of residue 81
Atom CA of residue 103
LYS
Atom CA of residue 370
Atom CZ of residue 103
LYS
Atom CD of residue 100
Atom CA of residue 26
Atom CA of residue 369
Atom CA of residue 105
Atom CA of residue 130
Atom CA of residue 39
VAL
Atom C of residue 111
Atom CA of residue 108
PRO
ALA
Atom CA of residue 2680
GLN
Atom CA of residue 107
THR
ALA
Atom CD of residue 80
GLU
Atom CA of residue 2679
Atom CB of residue 120
Atom CE1 of residue 79
Atom CA of residue 2674
ASP
Atom CA of residue 360
ALA
Atom N of residue 102
THR
Atom CA of residue 2673
Atom N of residue 89
Atom CA of residue 148
Atom CA of residue 2672
Atom CA of residue 276
TYR
PHE
Atom CA of residue 19
LYS
Atom CA of residue 2670
Atom CD of residue 146
LYS
SER
Atom CD of residue 78
VAL
Atom CA of residue 2665
Atom CA of residue 25
PRO
ARG
Atom CA of residue 30
Atom CA of residue 2663
Atom CA of residue 38
ASN
LEU
Atom CA of residue 2662
ARG
Atom CA of residue 9
LYS
TYR
Atom CA of residue 2659
Atom CA of residue 75
PHE
Atom CA of residue 74
SER
Atom CA of residue 16
Atom CA of residue 2657
Atom CD of residue 73
Atom CG of residue 73
Atom N of residue 6
Atom CB of residue 103
Atom CA of residue 64
Atom CA of residue 19
ASP
Atom CA of residue 261
Atom CA of residue 49
ALA
Atom CA of residue 2655
GLU
Atom O of residue 481
THR
ASN
Atom N of residue 76
Atom CA of residue 2692
Atom CA of residue 2653
Atom ND1 of residue 79
THR
ASP
LYS
Atom O of residue 116
PRO
VAL
Atom CA of residue 547
GLU
Atom CA of residue 2691
Atom CA of residue 2652
LYS
Atom CA of residue 2651
ARG
LYS
Atom CA of residue 2650
THR
Atom CA of residue 2649
Atom CA of residue 2648
Atom CD of residue 466
Atom CA of residue 18
Atom CA of residue 348
LEU
Atom CA of residue 453
Atom O of residue 71
Atom CD of residue 101
Atom CA of residue 4
Atom CA of residue 142
Atom CA of residue 2647
ARG
ALA
python stream
Atom CB of residue 73
Atom CA of residue 2644
Atom CA of residue 114
GLU
ALA
Atom CA of residue 342
Atom CA of residue 2642
THR
ILE
GLY
Atom CA of residue 42
Atom CA of residue 512
LEU
LEU
Atom CA of residue 587
Atom CB of residue 460
LYS
Atom CA of residue 586
TYR
Atom CA of residue 514
GLY
Atom CA of residue 585
LEU
SER
Atom CA of residue 32
Atom CA of residue 579
Atom CA of residue 15
HIS
PRO
Atom CG2 of residue 89
Atom CA of residue 578
Atom CB of residue 538
Atom CA of residue 14
Atom CA of residue 135
ARG
Atom C of residue 458
Atom CA of residue 577
ALA
Atom CA of residue 576
Atom CA of residue 369
SER
GLU
Atom CA of residue 570
Atom CA of residue 146
ALA
Atom CA of residue 71
Atom CG2 of residue 87
Atom CA of residue 569
Atom CA of residue 63
Atom CA of residue 70
Atom NZ of residue 96
PRO
Atom C of residue 31
ASN
Atom CA of residue 484
Atom O of residue 571
ILE
THR
Atom CA of residue 563
Atom CA of residue 131
Atom NH2 of residue 29
Atom CA of residue 2660
PHE
Atom CA of residue 562
Atom CA of residue 2658
Atom CA of residue 76
LEU
GLU
Atom N of residue 443
Atom CA of residue 559
LEU
GLU
Atom CA of residue 571
LYS
Atom CA of residue 555
Atom CA of residue 2652
ALA
Atom CA of residue 124
ILE
Atom CA of residue 570
LEU
Atom CD2 of residue 137
Atom CZ of residue 84
Atom CA of residue 554
Atom CA of residue 533
LYS
VAL
GLN
Atom CA of residue 553
Atom CA of residue 2650
GLY
Atom CA of residue 28
PRO
THR
THR
LYS
Atom CA of residue 552
LEU
Atom CA of residue 36
PHE
THR
GLN
Atom CA of residue 551
Atom CA of residue 148
Atom CG of residue 103
LEU
LEU
LYS
Atom CG of residue 128
ALA
Atom CD of residue 27
LYS
Atom CG of residue 440
GLN
LYS
Atom CA of residue 101
Atom CA of residue 129
Atom CA of residue 547
Atom CA of residue 6
Atom CA of residue 582
ASP
PHE
VAL
HIS
Atom CA of residue 581
MET
Atom CA of residue 544
Atom CE of residue 530
Atom CA of residue 580
ASN
LYS
Atom CA of residue 26
ALA
Atom C of residue 438
Atom CA of residue 538
Atom CA of residue 94
GLY
GLU
LYS
Atom CA of residue 22
Atom CA of residue 572
Atom CA of residue 537
VAL
Atom CA of residue 535
Atom CA of residue 571
Atom CA of residue 536
Atom CA of residue 134
ASN
LEU
LEU
Atom CB of residue 437
Atom CA of residue 44
ILE
Atom CA of residue 21
Atom CA of residue 43
ALA
ASN
Atom CA of residue 530
Atom NH1 of residue 27
Atom CA of residue 85
Atom CA of residue 529
Atom CA of residue 84
Atom CA of residue 528
Atom CD1 of residue 446
ALA
Atom CA of residue 527
Atom C of residue 79
Atom CA of residue 525
LEU
Atom C of residue 47
Atom CA of residue 37
Atom CA of residue 526
Atom O of residue 131
HIS
LEU
Atom CA of residue 524
Atom CA of residue 134
LEU
Atom CG of residue 445
Atom CG of residue 12
Atom CA of residue 95
Atom CA of residue 481
Atom OE2 of residue 19
Atom CA of residue 521
MET
HIS
Atom NZ of residue 524
Atom CA of residue 516
ASN
CYS
PHE
LEU
Atom CA of residue 85
Atom CD of residue 83
ARG
Atom C of residue 127
SER
Atom CG of residue 83
Atom CA of residue 84
Atom O of residue 119
GLU
ASP
Atom CE1 of residue 155
SER
Atom CA of residue 15
Atom O of residue 495
Atom CA of residue 499
Atom CA of residue 387
MET
VAL
Atom CA of residue 182
Atom CA of residue 386
LEU
Atom C of residue 555
ALA
Atom CA of residue 555
LYS
Atom CA of residue 496
LEU
ASP
HIS
Atom CA of residue 117
Atom CA of residue 2658
Atom CA of residue 143
Atom CA of residue 495
Atom CA of residue 116
Atom CA of residue 2657
Atom CA of residue 142
Atom CA of residue 494
GLY
THR
SampledDensityMap85
ARG
ALA
Atom CA of residue 281
ALA
Atom NE2 of residue 36
ALA
LYS
ASP
Atom CA of residue 3
GLN
LYS
GLU
Atom CA of residue 44
PHE
ALA
Atom CA of residue 43
VAL
Atom CA of residue 42
SER
Atom CA of residue 512
SER
Atom CA of residue 2640
Atom CA of residue 477
Atom CB of residue 516
THR
ALA
Atom CG2 of residue 112
Atom CA of residue 533
Atom CA of residue 2639
Atom CA of residue 476
Atom CA of residue 217
ILE
LEU
GLU
Atom C of residue 18
Atom C of residue 35
Atom C of residue 68
Atom CA of residue 510
LYS
Atom CA of residue 484
Atom CA of residue 475
Atom CE of residue 565
VAL
HIS
Atom C of residue 130
Atom CA of residue 459
Atom CA of residue 116
Atom CA of residue 45
GLU
ASP
Atom CA of residue 150
ALA
mol_1 rigid body
Atom N of residue 109
LEU
Atom CG of residue 571
ASN
Atom CG2 of residue 108
Atom CA of residue 497
VAL
ARG
LEU
Atom CA of residue 111
Atom CA of residue 343
Atom CA of residue 454
Atom CA of residue 449
Atom O of residue 114
LYS
GLU
Atom CA of residue 581
Atom CG1 of residue 97
Atom CB of residue 89
Atom CD1 of residue 4
Atom CA of residue 318
PHE
PHE
THR
LYS
ALA
Atom CA of residue 460
Atom CA of residue 432
Atom CD2 of residue 507
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom O of residue 103
Atom CA of residue 320
GLN
Atom CA of residue 319
THR
ALA
GLY
Atom CA of residue 93
Atom C of residue 149
PHE
Atom CA of residue 62
Atom CA of residue 92
Atom CA of residue 314
TYR
PHE
Atom CA of residue 90
Atom O of residue 505
Atom CB of residue 101
Atom N of residue 139
Atom CA of residue 88
Atom CA of residue 301
Atom CA of residue 58
SER
Atom CA of residue 294
ASN
GLU
Atom CA of residue 297
LEU
Atom CA of residue 296
GLU
Atom CA of residue 295
Atom CA of residue 136
Atom O of residue 107
LYS
Atom C of residue 122
Atom CA of residue 78
Atom CE2 of residue 502
Atom CA of residue 491
LYS
Atom CA of residue 107
Atom CA of residue 451
ASP
Atom CA of residue 77
Atom CA of residue 285
Atom CA of residue 76
Atom CA of residue 292
Atom CA of residue 284
Atom CA of residue 19
Atom CA of residue 75
Atom CA of residue 145
Atom CA of residue 121
Atom CA of residue 72
Atom CA of residue 70
Atom CA of residue 69
Atom CA of residue 17
Atom CA of residue 68
Atom CA of residue 285
Atom CA of residue 7
GLU
Atom CA of residue 67
GLU
Atom CA of residue 66
Atom CA of residue 281
PHE
TRP
Atom CA of residue 280
ARG
Atom CA of residue 104
ARG
Atom CA of residue 279
Atom CA of residue 10
ALA
HIS
LEU
Atom CA of residue 278
SER
Atom CA of residue 58
VAL
Atom CB of residue 142
Atom CA of residue 57
Atom CA of residue 56
Atom N of residue 15
Atom CA of residue 55
Atom CA of residue 54
Atom CA of residue 268
LEU
Atom CA of residue 85
TYR
Atom CA of residue 84
Atom NH2 of residue 13
SER
ASP
Atom CA of residue 2643
Atom CA of residue 264
Atom CA of residue 103
Atom NH1 of residue 103
Atom CA of residue 68
Atom O of residue 474
LEU
Atom CA of residue 47
Atom CA of residue 95
Atom CA of residue 2642
Atom CA of residue 263
Atom CA of residue 50
Atom CA of residue 102
LYS
Atom CB of residue 448
ConjugateGradients
PRO
ILE
LYS
Atom CA of residue 262
Atom CA of residue 45
Atom N of residue 92
ALA
LEU
THR
TYR
Atom CA of residue 41
Atom CA of residue 495
SER
Atom CB of residue 139
VAL
MET
VAL
Atom CA of residue 2632
Atom CA of residue 247
Atom C of residue 99
Model 30
THR
PHE
Atom CA of residue 66
Atom CD2 of residue 18
Atom CA of residue 36
Atom CA of residue 246
Atom CA of residue 99
HIS
Atom CA of residue 35
ILE
THR
Atom OH of residue 137
Atom CA of residue 34
Atom CA of residue 38
LEU
ALA
Atom CA of residue 33
SER
Atom CA of residue 150
Atom CA of residue 29
Atom CA of residue 492
Atom CA of residue 4
Atom CA of residue 239
Atom CA of residue 2658
GLY
Atom CA of residue 68
GLU
Atom CG of residue 13
Atom CA of residue 5
Atom CA of residue 28
GLU
GLU
ILE
ARG
Atom CA of residue 27
GLY
THR
LYS
Atom CA of residue 25
Atom C of residue 48
GLY
Atom CA of residue 154
Atom C of residue 73
Atom CD1 of residue 89
LEU
SER
Atom CA of residue 48
Atom CA of residue 238
ASN
Atom CA of residue 24
Atom CA of residue 403
Atom CA of residue 153
LYS
Atom CA of residue 442
Atom N of residue 136
Atom CG of residue 119
Atom CA of residue 402
Atom CA of residue 152
Atom CA of residue 114
Atom N of residue 89
ILE
Atom CA of residue 15
Chain B
Atom CA of residue 68
ASP
ALA
THR
Atom CZ of residue 134
Atom CA of residue 67
PHE
ASN
LYS
Atom CA of residue 46
LYS
Atom CA of residue 502
ALA
Atom CA of residue 67
Atom N of residue 128
ARG
GLY
Atom SG of residue 93
VAL
Atom CA of residue 103
Atom CG of residue 86
ARG
Atom O of residue 74
GLY
Atom CD1 of residue 90
Atom CA of residue 112
Atom CA of residue 6
LYS
TYR
Atom O of residue 83
Atom CA of residue 73
LEU
ALA
GLU
Atom CA of residue 72
SER
VAL
Atom CA of residue 103
ARG
Atom C of residue 126
Atom CA of residue 101
Atom OD1 of residue 6
ASN
GLN
Atom CB of residue 6
Atom CB of residue 107
GLN
Atom CA of residue 432
ILE
Atom O of residue 134
TYR
Atom CA of residue 511
GLN
ASN
Atom CE1 of residue 77
Atom CA of residue 408
Atom CA of residue 75
Atom CA of residue 115
LYS
LEU
Atom CA of residue 406
Atom CA of residue 74
Atom CA of residue 114
Atom CA of residue 78
Atom CA of residue 111
Atom CA of residue 77
Atom CA of residue 110
LYS
ILE
Atom CA of residue 237
Atom CA of residue 202
Atom CA of residue 401
Atom CA of residue 96
Atom CA of residue 109
SER
THR
Atom CA of residue 201
Atom CA of residue 400
Atom CA of residue 95
Atom CA of residue 108
LEU
Atom CA of residue 102
ILE
ASP
Atom CA of residue 15
Atom NZ of residue 78
Atom CA of residue 183
Atom CA of residue 107
ALA
ILE
ASN
Atom C of residue 95
ARG
LYS
ALA
LEU
SER
TRP
Atom CA of residue 395
LEU
Atom OE2 of residue 100
GLY
Atom CA of residue 103
Atom C of residue 75
Atom CA of residue 394
PRO
GLU
Atom CA of residue 102
Atom CA of residue 100
GLU
Atom CA of residue 48
PRO
GLU
TRP
LEU
ILE
Atom CA of residue 252
LYS
Atom CD of residue 79
Atom CA of residue 96
Atom CA of residue 141
SER
GLN
Atom CA of residue 95
Atom CG2 of residue 73
Atom CA of residue 158
LEU
ILE
TRP
SER
Atom CA of residue 94
Atom CG2 of residue 479
TYR
Atom CA of residue 157
Atom CA of residue 61
CYS
Atom CA of residue 93
Atom O of residue 70
Atom N of residue 101
GLN
PRO
Atom CA of residue 93
Atom CD of residue 88
LYS
Atom CA of residue 91
THR
Atom CA of residue 90
LYS
Atom CA of residue 89
ASP
ALA
Atom CA of residue 88
Atom CA of residue 87
Atom CA of residue 272
Atom N of residue 478
Atom CA of residue 86
Atom CA of residue 85
Atom C of residue 99
ALA
GLY
Atom CA of residue 44
GLU
GLU
ILE
SER
PHE
Atom CA of residue 99
Atom CA of residue 83
VAL
Atom CA of residue 98
Atom O of residue 87
Atom CA of residue 82
SER
Atom CA of residue 49
Atom CA of residue 81
SER
Atom CA of residue 48
PHE
Atom CA of residue 518
Atom CA of residue 79
Atom CA of residue 124
Atom CA of residue 131
Atom CA of residue 78
Atom N of residue 455
ALA
VAL
PHE
Atom CA of residue 2659
Atom CA of residue 77
Atom CG1 of residue 56
PHE
Atom CA of residue 30
Atom CA of residue 483
Atom CB of residue 131
Atom CA of residue 25
LYS
Atom OD1 of residue 534
LEU
Atom CA of residue 75
LYS
PRO
GLY
Atom CA of residue 72
Atom CA of residue 70
ASP
Atom OE1 of residue 111
Atom C of residue 43
Atom CA of residue 544
Atom CA of residue 67
GLY
Atom CA of residue 120
ASN
Atom CA of residue 63
Atom CA of residue 61
LEU
Model 14
PHE
GLY
Atom CA of residue 108
Atom CA of residue 54
Atom CA of residue 53
Atom O of residue 127
Atom CD1 of residue 449
LEU
Atom CD1 of residue 26
SER
Atom CB of residue 127
THR
Atom N of residue 101
Atom CA of residue 50
PRO
CYS
CYS
Atom CA of residue 102
Atom CA of residue 42
ARG
Atom CA of residue 211
Atom O of residue 106
Atom CA of residue 123
MET
Atom N of residue 525
Atom CA of residue 39
MET
Atom CA of residue 36
THR
Atom OG of residue 509
Atom O of residue 107
Atom CA of residue 35
ASP
Atom CA of residue 28
Atom CE2 of residue 104
VAL
Atom CA of residue 27
Atom O of residue 515
ILE
Atom CA of residue 22
Atom O of residue 113
Atom C of residue 119
Atom CA of residue 71
Atom CA of residue 26
Atom N of residue 8
VAL
Atom CA of residue 69
Atom CA of residue 25
Atom CG of residue 122
PHE
Atom CA of residue 24
GLY
Atom CA of residue 23
Atom CA of residue 82
Atom CA of residue 22
Atom N of residue 16
HIS
LYS
LYS
Atom CA of residue 18
Atom CA of residue 251
Atom OG1 of residue 40
Atom CA of residue 533
Atom CA of residue 47
Atom CA of residue 17
Atom CA of residue 120
TRP
Atom CA of residue 16
ARG
Atom CA of residue 561
VAL
Atom CA of residue 13
Atom CA of residue 8
ILE
Atom NE2 of residue 63
LYS
Atom CA of residue 6
Atom CA of residue 135
Model 34
ALA
MET
Atom CA of residue 2690
Atom CA of residue 2688
ARG
LYS
Atom CA of residue 2687
Atom C of residue 27
TYR
Atom CA of residue 36
GLY
Atom CD1 of residue 132
THR
Atom CA of residue 2686
Atom NH1 of residue 141
ASN
Atom CA of residue 44
ILE
Atom CA of residue 2685
LEU
LEU
Atom CA of residue 111
THR
Atom CA of residue 358
LYS
Atom CA of residue 47
ALA
Atom CA of residue 2678
GLY
TYR
Atom CA of residue 57
Atom CA of residue 21
PHE
Atom N of residue 126
Atom CA of residue 435
Atom CA of residue 2677
Atom CD2 of residue 544
Atom CZ of residue 155
Atom CA of residue 114
VAL
Atom O of residue 39
ASP
Atom CA of residue 95
Atom CA of residue 2676
GLN
Atom CA of residue 303
Atom NE2 of residue 139
ARG
ALA
ASP
Atom CA of residue 93
VAL
Atom CA of residue 348
Atom CA of residue 2674
GLN
Atom CB of residue 128
ILE
ASP
normalize rigid bodies
TYR
GLU
Atom CA of residue 155
VAL
GLU
Atom OD1 of residue 85
Atom CB of residue 97
THR
Atom CA of residue 2671
Atom N of residue 543
ASP
MET
VAL
Atom CA of residue 2665
Atom CA of residue 128
PRO
ARG
ASN
Atom CA of residue 2662
Atom CA of residue 80
TYR
Atom CG of residue 111
Atom CA of residue 345
Atom N of residue 563
Atom CA of residue 2659
Atom CA of residue 294
PRO
PHE
Atom CE1 of residue 562
Atom CA of residue 2657
Atom CA of residue 2656
Atom CA of residue 2653
Atom CG of residue 513
Atom CA of residue 2651
Atom CA of residue 2674
LYS
Atom CA of residue 2650
THR
ALA
Atom CA of residue 74
LYS
Atom CA of residue 73
LYS
LEU
Atom CA of residue 433
Atom CA of residue 2646
Atom CD2 of residue 559
Atom CA of residue 2645
Atom CA of residue 290
GLN
Atom CA of residue 2644
Atom CA of residue 289
GLU
ALA
Atom CB of residue 7
ARG
Atom CA of residue 2642
THR
PRO
Atom CD1 of residue 558
THR
LEU
GLU
LEU
Atom CA of residue 282
Atom CA of residue 2637
ILE
Atom CB of residue 105
GLU
VAL
Atom CA of residue 2635
Atom O of residue 510
Atom O of residue 131
ILE
Atom CA of residue 2633
HIS
ASP
Atom CA of residue 2632
ASP
Atom O of residue 556
Atom CE3 of residue 16
LEU
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.mrc
SER
Atom O of residue 558
GLY
Atom CA of residue 586
Atom CA of residue 518
Atom CD of residue 28
TYR
LEU
Atom CA of residue 584
THR
Atom CA of residue 583
GLU
SER
Atom C of residue 26
Atom CA of residue 574
PHE
CYS
Atom CA of residue 297
GLU
LEU
ASN
SER
Atom CA of residue 567
VAL
Atom CA of residue 187
Atom CA of residue 582
GLY
Atom CA of residue 565
LEU
VAL
Atom CA of residue 563
Chain A
LEU
Atom CA of residue 558
PRO
Atom CA of residue 557
ALA
LYS
PRO
TYR
Atom CA of residue 550
Atom CA of residue 547
Atom CG2 of residue 112
Atom CA of residue 284
Envelope penetration restraint
Atom CA of residue 2637
Atom CA of residue 564
HIS
Atom CA of residue 2636
Atom CA of residue 563
ASN
Atom CA of residue 533
Atom CA of residue 32
Atom CA of residue 543
Atom CA of residue 81
Atom CE1 of residue 68
Atom CA of residue 78
ALA
PRO
Chain D
ALA
LEU
Atom CA of residue 2629
Atom CA of residue 31
Atom CA of residue 542
ALA
Atom CB of residue 74
VAL
ALA
Atom CA of residue 587
Atom CA of residue 541
LEU
Atom CA of residue 41
MET
Atom CD of residue 499
Atom CA of residue 586
Model 0
Atom CA of residue 540
Atom CB of residue 69
LEU
Atom CA of residue 554
Atom CA of residue 535
SER
Atom CG of residue 498
GLY
Atom C of residue 16
LEU
PRO
Atom CA of residue 151
LYS
ASN
Atom CA of residue 580
Atom CA of residue 553
Atom CA of residue 534
Atom CA of residue 129
LEU
Atom CA of residue 579
Atom CA of residue 533
LEU
PRO
Atom CA of residue 351
Chain A
HIS
ILE
Atom C of residue 88
Atom CA of residue 128
GLY
Atom CA of residue 578
Atom CA of residue 532
Atom CA of residue 126
Atom N of residue 15
Atom CA of residue 143
Atom CB of residue 59
Atom CA of residue 576
Atom CB of residue 79
ASN
Atom CA of residue 141
SER
LYS
PRO
Atom CA of residue 20
Atom CA of residue 124
Atom CA of residue 574
PRO
Atom CG of residue 14
Atom CA of residue 140
CYS
ASP
Atom CG of residue 87
GLU
SER
GLU
Atom CA of residue 121
Atom CA of residue 571
Atom CA of residue 141
Atom CA of residue 34
ASN
Atom CA of residue 525
LEU
Atom NH1 of residue 80
Atom CA of residue 341
Atom CA of residue 569
Atom CA of residue 523
Atom CA of residue 16
Atom CA of residue 122
GLU
LEU
Atom CB of residue 121
ILE
Atom CA of residue 118
Atom CA of residue 340
Atom CA of residue 568
Atom C of residue 66
Atom CA of residue 522
GLN
GLY
ASP
ASP
Atom CA of residue 79
Atom CA of residue 521
Atom CA of residue 520
ILE
LYS
Atom CA of residue 255
LYS
Atom CA of residue 33
GLY
HIS
Atom CA of residue 75
Atom CA of residue 519
GLU
ASN
Atom CA of residue 32
ILE
VAL
ALA
LEU
Atom CA of residue 578
Atom C of residue 21
PHE
GLY
Atom CA of residue 507
SER
MET
Atom C of residue 566
SER
Atom CA of residue 566
Atom OE1 of residue 491
HIS
Atom CA of residue 505
VAL
Atom N of residue 63
Atom CA of residue 504
ASN
LEU
Atom CA of residue 503
PHE
LEU
Atom CA of residue 502
Atom CA of residue 576
Atom CA of residue 572
Atom CA of residue 118
ALA
Atom CA of residue 109
Atom CA of residue 547
ARG
Atom CA of residue 501
LEU
VAL
THR
Atom CA of residue 117
LYS
THR
Atom CA of residue 500
Atom C of residue 139
Atom CA of residue 499
Atom CA of residue 234
MET
Atom NH1 of residue 61
Atom CA of residue 498
LEU
Atom CA of residue 497
Atom N of residue 154
ALA
Atom C of residue 564
ASP
Atom CA of residue 564
Atom O of residue 489
Atom CB of residue 61
Atom CA of residue 495
THR
VAL
Atom CA of residue 494
Atom CB of residue 153
ALA
Atom CA of residue 493
Atom CA of residue 61
Atom CG of residue 96
ASP
Atom CA of residue 492
GLN
Atom CA of residue 471
Atom CA of residue 107
Atom CA of residue 63
Atom CA of residue 537
VAL
Atom CD1 of residue 60
Atom CA of residue 490
Atom CA of residue 536
ALA
Atom CA of residue 489
PHE
Atom CE2 of residue 562
MET
Atom CA of residue 488
DensityMap886
ALA
LEU
Atom CB of residue 559
Atom CA of residue 489
Atom CB of residue 92
Atom CA of residue 474
MET
PHE
ARG
ALA
Atom O of residue 106
Atom C of residue 19
Atom CA of residue 487
Atom CA of residue 472
Atom CA of residue 489
Atom CA of residue 16
Atom O of residue 14
Atom CA of residue 6
LYS
SER
Atom CG of residue 480
Atom CA of residue 486
Atom CA of residue 471
Atom CA of residue 5
ARG
THR
VAL
ALA
Atom O of residue 572
VAL
GLU
LYS
GLU
Atom N of residue 56
PRO
Atom C of residue 3
Atom CA of residue 466
ASP
PHE
Atom CB of residue 557
Atom CA of residue 90
SER
THR
Atom CA of residue 464
Atom C of residue 68
Atom CA of residue 50
THR
ASP
Atom CA of residue 462
Atom CA of residue 96
Atom CB of residue 482
THR
ASP
ALA
Atom CA of residue 461
ASN
Atom CA of residue 458
ASP
Atom C of residue 537
Atom CA of residue 2641
Atom CA of residue 574
Atom CG of residue 122
Atom CA of residue 457
Model 32
Atom CA of residue 456
Atom CA of residue 132
Atom CA of residue 135
PRO
THR
ARG
Atom CA of residue 448
Atom CA of residue 447
Atom CA of residue 452
PRO
Atom CA of residue 451
SER
Atom N of residue 451
Atom CA of residue 442
PRO
Atom CA of residue 441
Atom CA of residue 465
Atom CG of residue 565
Atom CA of residue 75
PHE
ALA
ILE
Atom OD2 of residue 93
Atom CA of residue 440
ALA
Atom CA of residue 28
Atom CA of residue 439
LEU
THR
Atom CA of residue 504
GLU
Atom CA of residue 437
SER
Atom CA of residue 21
TYR
Atom CA of residue 436
ASP
PHE
Atom CA of residue 187
ASP
ILE
Atom O of residue 87
Atom CA of residue 2629
Atom CA of residue 35
ALA
Atom CA of residue 90
THR
Atom CA of residue 570
ILE
Atom OE1 of residue 17
LYS
HIS
Atom CG of residue 125
Atom CB of residue 24
ARG
Atom CA of residue 94
Atom CA of residue 93
GLY
GLN
Atom CA of residue 2647
Atom CA of residue 91
Atom O of residue 445
ALA
VAL
Atom CD1 of residue 89
GLU
Atom C of residue 478
Atom CA of residue 11
Atom CA of residue 2644
Atom CA of residue 88
GLU
VAL
GLN
SER
GLN
Atom CA of residue 2643
Atom CA of residue 87
Atom CA of residue 446
Atom CA of residue 86
Atom N of residue 439
Atom CA of residue 85
Atom CA of residue 62
Atom CD of residue 72
Atom CA of residue 122
Atom N of residue 472
SER
LEU
Atom CA of residue 432
Atom CG of residue 444
Atom CA of residue 78
Atom CA of residue 18
PRO
Atom CA of residue 77
THR
Atom CA of residue 575
GLU
Atom O of residue 441
GLN
Atom CA of residue 24
Atom O of residue 443
LEU
ALA
SER
Atom CB of residue 87
ASP
LYS
ALA
Atom CA of residue 72
ILE
VAL
GLU
Atom CA of residue 71
ARG
Atom CA of residue 21
Atom CA of residue 70
LYS
GLY
Atom C of residue 29
Atom C of residue 130
Atom CA of residue 64
GLN
Atom CA of residue 69
Atom C of residue 432
Atom CA of residue 68
Atom CA of residue 85
Atom CA of residue 132
Atom CA of residue 49
GLU
Atom CA of residue 67
Atom CA of residue 84
Atom O of residue 8
Atom CA of residue 48
Atom CA of residue 22
PHE
VAL
Atom CB of residue 451
ARG
Atom CA of residue 58
ARG
Atom CA of residue 63
Atom N of residue 441
LEU
Atom CB of residue 531
Atom CB of residue 85
Atom C of residue 103
GLN
PHE
Atom CA of residue 56
ALA
SER
LEU
LYS
GLU
PRO
ALA
Atom CA of residue 57
Atom CA of residue 86
CYS
Atom CA of residue 554
Atom C of residue 45
Atom CA of residue 52
Atom CA of residue 85
Chain  
TYR
Atom CA of residue 553
VAL
Atom CA of residue 51
Atom CA of residue 50
Atom CA of residue 84
SER
Atom CA of residue 50
Atom O of residue 469
Atom CA of residue 72
Atom CD1 of residue 134
Atom CA of residue 49
LYS
Atom CA of residue 82
Atom CA of residue 48
Atom CA of residue 30
Atom CA of residue 63
Atom CZ of residue 502
Atom CZ of residue 80
LYS
Atom CA of residue 62
Atom CA of residue 77
LEU
Atom CA of residue 42
Atom CA of residue 59
THR
Atom CA of residue 543
GLN
ASP
rigid bodies list
Atom CA of residue 41
MET
LEU
python stream
Atom CA of residue 40
Atom CA of residue 57
LYS
Atom CA of residue 39
VAL
Atom CA of residue 38
GLN
Atom CA of residue 99
VAL
SER
PHE
Atom CA of residue 53
Atom CA of residue 133
GLU
Atom C of residue 466
ALA
Atom CA of residue 33
Atom C of residue 78
ASP
Atom O of residue 130
VAL
LYS
GLN
Atom CA of residue 2676
Atom CA of residue 2680
Atom C of residue 130
Atom N of residue 78
Atom CA of residue 29
Atom CA of residue 38
Atom CA of residue 61
GLY
Atom CA of residue 60
ILE
Atom CA of residue 27
Atom O of residue 77
LEU
Atom CA of residue 24
Atom CB of residue 100
LYS
GLU
LYS
VAL
Atom CA of residue 347
Atom CA of residue 2673
Atom CA of residue 22
ConjugateGradients
PRO
PRO
Atom CA of residue 66
Atom CA of residue 186
Atom N of residue 38
Atom CA of residue 21
Atom CA of residue 106
ARG
Atom CA of residue 2647
Atom N of residue 124
Atom CA of residue 3
Atom N of residue 152
TYR
Atom CA of residue 2670
Atom CD2 of residue 94
ALA
Atom CA of residue 128
LEU
TYR
Atom CD1 of residue 120
Atom N of residue 68
Atom N of residue 35
Atom CA of residue 124
Atom CA of residue 67
LEU
THR
Atom CA of residue 123
Atom CA of residue 122
Atom CA of residue 59
ARG
GLU
LEU
Atom CA of residue 97
Atom CA of residue 233
ILE
Atom CA of residue 96
ILE
Atom N of residue 117
SER
GLY
Atom N of residue 143
PRO
Atom N of residue 116
Atom NH1 of residue 29
Atom CA of residue 95
Atom ND2 of residue 130
CYS
Atom CD of residue 448
Atom CA of residue 453
Atom CA of residue 93
Atom CD2 of residue 6
ASP
Atom OE1 of residue 20
Atom CA of residue 22
Atom CB of residue 130
Atom CB of residue 29
Atom CA of residue 92
TRP
SER
Atom CA of residue 2633
PRO
Atom N of residue 144
THR
Atom CA of residue 91
Atom CA of residue 90
THR
Atom CA of residue 92
Atom CA of residue 71
SER
GLN
Atom N of residue 448
MET
ALA
Atom CA of residue 89
Atom NH2 of residue 8
Atom CA of residue 88
Atom N of residue 6
Atom CA of residue 87
VAL
VAL
ALA
Atom CZ of residue 128
Atom CA of residue 86
Atom CG of residue 113
Atom CE2 of residue 128
ASN
Atom CA of residue 99
Atom CA of residue 83
LYS
Atom CA of residue 124
Atom CA of residue 23
PRO
Fit restraint
Atom CB of residue 27
Atom CA of residue 82
THR
Atom C of residue 446
PRO
Atom C of residue 112
Atom CA of residue 79
Atom CA of residue 321
THR
Chain C
GLU
PHE
Atom CA of residue 77
TYR
LYS
Atom CA of residue 78
Atom CA of residue 30
Atom CA of residue 519
Atom CA of residue 155
LYS
Atom CA of residue 65
Atom CA of residue 74
SER
TYR
Atom CA of residue 99
Atom CA of residue 71
Atom CG1 of residue 109
Atom CA of residue 69
TYR
LYS
Atom CA of residue 56
UpdateRigidBodyMembers20
Atom CA of residue 63
Atom OG1 of residue 24
MET
Atom CA of residue 309
Atom N of residue 444
ASP
ASP
Atom CA of residue 61
Atom CD of residue 443
Atom O of residue 88
Atom CA of residue 53
Atom CA of residue 110
Atom CA of residue 60
Atom CA of residue 87
THR
LYS
Atom CD1 of residue 120
Atom N of residue 112
Atom C of residue 125
PHE
Atom CA of residue 94
Atom CB of residue 91
Atom CA of residue 54
ASP
TYR
LYS
Atom CA of residue 92
Atom CA of residue 45
Atom CA of residue 46
ALA
Atom CD of residue 139
Atom CA of residue 2662
Atom CA of residue 582
Atom N of residue 91
ASN
Atom CA of residue 89
Atom CA of residue 40
Atom CA of residue 92
GLN
Atom CA of residue 102
ALA
MET
ARG
ILE
Atom CA of residue 53
Atom CA of residue 38
THR
GLN
Atom CA of residue 35
Atom CA of residue 237
Atom CA of residue 23
Atom CA of residue 136
ARG
MET
Atom CA of residue 34
Atom CA of residue 140
Atom C of residue 82
ASP
LEU
PRO
Atom CA of residue 2678
Atom CA of residue 150
Atom C of residue 41
Atom N of residue 496
Atom CB of residue 94
LYS
Atom CA of residue 281
SER
Atom CA of residue 30
Atom CA of residue 2658
THR
Atom CA of residue 29
Atom CA of residue 2682
VAL
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CE of residue 76
ALA
ARG
LYS
GLU
VAL
Atom CA of residue 32
Atom CA of residue 23
LEU
VAL
Atom CA of residue 2667
Atom CA of residue 22
Atom CA of residue 31
Atom CA of residue 21
LEU
Atom C of residue 97
Atom CG2 of residue 112
Atom CA of residue 26
Atom CA of residue 2656
Atom CA of residue 156
ASP
LYS
TYR
LEU
P0
Atom CA of residue 100
Atom CA of residue 14
ALA
LYS
GLU
Atom CA of residue 13
mol2
VAL
THR
ALA
Atom CA of residue 78
Atom CA of residue 148
ALA
Atom CA of residue 10
Atom NE2 of residue 98
CYS
LEU
Atom CA of residue 7
Atom NH1 of residue 29
Atom CD1 of residue 119
ALA
Atom CA of residue 155
ILE
Atom CG of residue 92
PRO
Atom CA of residue 4
SER
Atom N of residue 490
python stream rigid body rigid body positions
Atom CA of residue 483
Atom CA of residue 97
SER
Atom O of residue 115
Atom C of residue 58
ASN
ILE
NullModifier4
Atom CA of residue 48
Atom C of residue 129
NormalizeRotation4
Atom CA of residue 95
Atom CB of residue 536
Atom CA of residue 127
Atom O of residue 60
Atom N of residue 18
PRO
Atom CA of residue 157
Atom CA of residue 87
ALA
ASP
Atom CB of residue 61
Atom CA of residue 156
Atom CA of residue 86
PHE
Atom CA of residue 155
Atom O of residue 550
THR
Atom CD of residue 146
Atom CZ of residue 47
Atom CA of residue 30
Atom CD2 of residue 71
LYS
Atom CA of residue 154
LYS
ILE
Atom CA of residue 153
Atom N of residue 31
ALA
Atom CA of residue 72
Atom CA of residue 150
Atom CA of residue 71
SER
Atom CA of residue 149
SER
VAL
Atom CB of residue 451
ALA
Atom CA of residue 70
Atom CA of residue 148
PRO
ARG
Atom C of residue 44
Atom CA of residue 69
Atom OE1 of residue 122
Atom CA of residue 147
GLU
Atom CA of residue 145
LEU
Atom CB of residue 548
TYR
Atom C of residue 74
Atom CA of residue 144
GLN
CYS
GLY
Atom CA of residue 138
Atom CA of residue 53
TRP
Atom CA of residue 52
Atom CA of residue 488
TYR
Atom CA of residue 133
ARG
ILE
Atom CZ3 of residue 41
Atom CA of residue 25
ALA
Atom NE2 of residue 36
Atom C of residue 546
Atom CA of residue 129
Atom CE2 of residue 41
Atom CA of residue 483
Atom CA of residue 40
PRO
ASP
Atom CA of residue 126
ILE
GLU
Atom CG of residue 536
SER
SER
LEU
ILE
Atom CA of residue 72
Atom CA of residue 478
LEU
Atom CA of residue 119
Atom CA of residue 9
GLU
Atom CA of residue 28
ILE
Atom CD of residue 19
GLN
Atom C of residue 77
Atom CA of residue 135
LEU
Atom CA of residue 33
Atom CA of residue 113
ILE
Atom CG of residue 76
GLN
ILE
LEU
Atom C of residue 544
Atom CA of residue 109
Atom N of residue 21
Atom CA of residue 107
Atom CA of residue 89
Atom CA of residue 37
Atom CG2 of residue 546
ALA
Atom CA of residue 106
LYS
THR
PRO
Atom CA of residue 112
Atom CA of residue 67
Atom CA of residue 100
Atom CA of residue 435
GLN
Atom N of residue 15
GLU
ASP
Atom CA of residue 36
Atom CA of residue 36
Atom CA of residue 99
ALA
Atom N of residue 540
GLU
PRO
Atom CA of residue 572
THR
SER
GLU
ILE
Atom CA of residue 497
Atom CD2 of residue 41
Atom CA of residue 22
PRO
Atom CA of residue 155
LEU
Atom CD1 of residue 41
Atom CA of residue 94
Atom CA of residue 560
Atom CA of residue 89
Atom O of residue 10
Atom CA of residue 63
Atom CA of residue 82
Atom CA of residue 545
PRO
TYR
Atom CA of residue 87
ASN
Atom CA of residue 142
VAL
Atom CA of residue 87
PRO
Atom CA of residue 82
Atom CA of residue 50
TYR
Atom CA of residue 587
Atom CA of residue 79
GLU
Atom CA of residue 242
Atom CA of residue 78
PHE
Atom O of residue 137
LYS
Atom CA of residue 274
VAL
Atom CA of residue 76
CYS
Atom N of residue 15
GLY
Atom CA of residue 24
VAL
Atom CA of residue 22
Atom CA of residue 75
Atom CB of residue 119
MET
Atom CD of residue 13
Atom CA of residue 74
TYR
PRO
Atom CA of residue 73
LYS
Atom CG2 of residue 136
Atom CA of residue 271
ASN
SER
GLN
PRO
Chain C
Atom OE1 of residue 17
Atom CA of residue 66
LYS
Atom CA of residue 85
ASP
LYS
PHE
Atom CA of residue 553
MET
Atom CA of residue 61
LEU
LEU
Atom CA of residue 551
Atom CA of residue 59
GLY
LEU
Atom CA of residue 40
Atom C of residue 534
Atom CA of residue 89
LYS
GLY
Atom CA of residue 265
TRP
Atom O of residue 144
GLU
Atom CA of residue 53
Atom CA of residue 437
ALA
PRO
Atom N of residue 136
Atom CA of residue 545
SER
ASP
Atom CA of residue 52
LYS
THR
TRP
Atom CA of residue 135
GLY
TRP
Atom CE1 of residue 134
Atom CA of residue 16
Atom CA of residue 14
Atom CA of residue 48
PRO
ILE
ALA
CYS
Atom CD of residue 12
Atom CA of residue 137
Atom CA of residue 43
Atom CA of residue 147
VAL
THR
Atom CA of residue 548
Atom CA of residue 41
Atom CA of residue 42
Atom CA of residue 57
TRP
ASN
LEU
python stream rigid body
Atom CE2 of residue 437
Atom CA of residue 47
ASN
Atom C of residue 529
Atom CA of residue 37
Atom CA of residue 15
Atom CA of residue 36
Atom CA of residue 33
LEU
PRO
Atom O of residue 532
MET
Atom CE2 of residue 440
Atom CA of residue 550
VAL
Atom CA of residue 43
Atom CA of residue 32
LEU
Atom CA of residue 59
Atom CA of residue 99
Atom O of residue 133
LYS
ASP
GLU
Atom CA of residue 30
LEU
Atom CA of residue 128
Atom C of residue 133
THR
PRO
GLY
Atom CA of residue 494
ASN
Atom CA of residue 28
Atom O of residue 9
Atom N of residue 134
Atom NE of residue 80
ALA
ALA
GLY
Atom CA of residue 525
VAL
PHE
Atom CE of residue 528
ALA
Atom CA of residue 2652
Atom CA of residue 91
Atom CA of residue 448
VAL
LEU
Atom CB of residue 125
Atom O of residue 24
Atom CA of residue 18
Atom CA of residue 570
Atom CA of residue 534
Atom CA of residue 127
ALA
Atom O of residue 18
GLY
GLU
Atom O of residue 11
Atom CA of residue 6
Atom CA of residue 22
LEU
PRO
Atom CA of residue 229
Atom CA of residue 13
TRP
Atom CA of residue 558
TRP
Atom CA of residue 89
Atom CA of residue 132
Atom CA of residue 554
HIS
Atom CA of residue 17
LYS
SER
Atom CA of residue 16
LYS
Atom CA of residue 76
GLY
Atom CA of residue 45
Atom CA of residue 61
TYR
HIS
Atom CA of residue 247
HIS
ARG
VAL
GLU
Atom OE1 of residue 130
Atom O of residue 31
Atom O of residue 467
Atom CA of residue 133
GLU
ASN
ILE
Atom CA of residue 9
Atom CA of residue 8
ILE
Atom CB of residue 38
ALA
Atom CB of residue 41
Atom CA of residue 35
VAL
Atom CA of residue 541
Atom CA of residue 6
ILE
Atom CA of residue 85
PHE
GLY
SER
Atom CA of residue 3
Chain A
Atom NZ of residue 59
LEU
python stream
GLU
LYS
ILE
Atom CA of residue 434
Model 31
Atom CA of residue 587
Atom CA of residue 261
ALA
Fit restraint internal rb map
Atom NH1 of residue 149
PHE
Atom CA of residue 50
Fit restraint internal rb map
VAL
SampledDensityMap37
Writer to temp_000.pdb
Atom CA of residue 69
Atom CG of residue 27
VAL
mol_3 rigid body rigid body positions
Atom CG of residue 64
Atom NE2 of residue 117
AccumulateRigidBodyDerivatives15
Atom C of residue 474
Atom C of residue 35
Atom CA of residue 498
ASP
mol_2 rigid body
Atom N of residue 572
ASP
AccumulateRigidBodyDerivatives13
UpdateRigidBodyMembers13
Atom CA of residue 252
Atom CA of residue 31
Atom CE of residue 121
PRO
NullModifier3
NormalizeRotation3
ASP
PHE
Atom OE2 of residue 83
rigid bodies list
Atom CG of residue 108
GLN
SER
Atom CA of residue 2693
Atom CA of residue 2689
Atom CA of residue 2688
Atom CA of residue 2687
ASP
GLY
Atom CB of residue 50
Atom CA of residue 2686
ASN
LEU
Atom N of residue 50
LYS
Atom CA of residue 2678
Atom C of residue 22
Atom N of residue 522
Atom CA of residue 90
Atom CA of residue 2674
GLU
GLU
ASP
Atom CA of residue 528
Atom CA of residue 2668
P0
Atom CA of residue 478
Atom CA of residue 64
ASP
VAL
Atom CA of residue 2663
Atom CZ of residue 17
ASN
Atom CA of residue 2661
TYR
Atom CA of residue 2660
CYS
Atom OE2 of residue 35
Atom OD1 of residue 527
Atom CA of residue 2655
PRO
Atom CA of residue 2654
Atom CA of residue 2652
LEU
Atom CA of residue 2649
Atom CA of residue 289
ALA
Atom C of residue 15
Atom CA of residue 2648
LEU
ASP
Atom CA of residue 2646
LEU
ARG
Atom OG of residue 525
LYS
Atom CA of residue 205
Atom C of residue 121
Atom CA of residue 484
Atom CA of residue 469
Atom CA of residue 129
ASP
Atom CA of residue 2631
LEU
Atom CA of residue 2630
Atom C of residue 117
Atom C of residue 475
Atom OD2 of residue 66
Atom CA of residue 43
Atom O of residue 69
ARG
SER
Atom CB of residue 137
Atom CG of residue 84
Atom CA of residue 64
Atom CA of residue 76
Atom CA of residue 117
LEU
Atom CE of residue 118
Atom CD1 of residue 136
TYR
Atom CA of residue 134
Atom CA of residue 62
Atom CD2 of residue 144
Atom O of residue 472
Atom CA of residue 38
GLY
THR
Atom CA of residue 112
Atom CA of residue 7
Atom CA of residue 583
GLN
PRO
Atom CA of residue 60
Atom O of residue 450
LEU
ALA
SER
Atom CA of residue 81
Atom CB of residue 83
Atom CA of residue 58
Atom CB of residue 135
SER
ARG
Atom O of residue 82
Atom CA of residue 579
SER
Atom CA of residue 578
VAL
Atom CD2 of residue 438
Atom CA of residue 577
Atom CA of residue 43
Atom CA of residue 55
Atom CA of residue 106
Atom CD1 of residue 134
Atom CA of residue 71
Atom CA of residue 57
Atom CA of residue 128
Atom CA of residue 46
Atom CA of residue 260
Atom CA of residue 2639
SER
ASP
Atom C of residue 117
Atom CA of residue 576
Model 9
CYS
Atom CB of residue 73
ILE
VAL
UpdateRigidBodyMembers18
Atom CA of residue 573
ILE
SER
mol2
TYR
GLU
DensityMap16
Atom CA of residue 95
LEU
Atom CG1 of residue 89
THR
VAL
ARG
ASN
Atom NE of residue 141
SER
GLU
Atom CA of residue 567
LYS
Atom O of residue 528
PRO
VAL
Atom CA of residue 566
LYS
Atom OG of residue 124
Atom CG1 of residue 23
LYS
Atom CB of residue 6
Atom CA of residue 86
GLU
Atom CA of residue 565
THR
ASP
Atom CB of residue 23
Atom CB of residue 124
Atom CA of residue 564
VAL
Atom CG of residue 8
PHE
ALA
SER
Atom CB of residue 116
Atom CA of residue 563
GLN
PHE
Atom ND2 of residue 31
Atom O of residue 536
ARG
PRO
Atom CA of residue 562
Atom O of residue 81
Atom CA of residue 77
GLN
LEU
HIS
Atom CA of residue 231
Atom CG of residue 110
HIS
CoarseCC3
Atom CA of residue 79
Atom CA of residue 560
Atom N of residue 39
GLY
VAL
Atom CD of residue 21
LEU
Atom CA of residue 494
Atom CG of residue 21
LEU
GLU
Atom CA of residue 125
python stream rigid body rigid body positions
Atom CA of residue 10
Atom CA of residue 316
GLY
SER
Atom CD1 of residue 86
Atom CB of residue 80
ARG
Atom CG2 of residue 434
Atom CA of residue 557
ALA
PRO
Atom CB of residue 526
ALA
ASP
Atom CA of residue 556
LEU
Atom CB of residue 122
ALA
Atom OE1 of residue 113
LYS
PRO
Atom CA of residue 552
Atom CA of residue 551
Atom OE2 of residue 19
SER
ASP
Atom CA of residue 548
GLN
Atom CA of residue 547
Atom O of residue 524
VAL
Atom CA of residue 546
Atom CA of residue 208
MET
ASN
Atom C of residue 17
TupleRestraint 0
Atom CA of residue 545
Atom O of residue 17
Atom CG of residue 120
HIS
SER
ASN
Atom N of residue 17
Atom CA of residue 542
Atom CG1 of residue 75
MET
Atom O of residue 42
Atom CA of residue 563
Atom CA of residue 562
Atom CA of residue 538
GLY
Atom CA of residue 537
TYR
Atom CA of residue 536
LEU
ALA
Atom CA of residue 531
Atom O of residue 126
ASP
Atom CA of residue 530
Atom OE2 of residue 122
Atom CA of residue 57
Atom CA of residue 528
P2
ASP
Atom N of residue 579
GLU
LEU
ALA
Atom CA of residue 513
ALA
Atom CD of residue 114
Atom CA of residue 517
Atom CB of residue 121
ASP
Atom CD2 of residue 120
GLU
GLY
Atom CA of residue 509
LEU
python stream rigid body rigid body positions
HIS
Atom CA of residue 2664
ASN
Atom CA of residue 474
ARG
Atom CA of residue 508
PHE
GLU
Atom CA of residue 473
Atom CA of residue 70
Atom C of residue 112
Atom CA of residue 41
Atom CA of residue 507
Atom CA of residue 2667
Atom O of residue 54
Atom CZ of residue 515
Atom N of residue 112
ALA
Atom N of residue 489
Atom OD1 of residue 136
Atom O of residue 34
SER
SER
Atom N of residue 120
VAL
Atom CA of residue 522
Atom N of residue 435
SER
Atom CB of residue 111
VAL
LEU
Atom C of residue 104
SER
Atom NH2 of residue 103
LYS
ARG
Atom CA of residue 13
TRP
PHE
Atom CA of residue 44
PRO
ARG
LYS
ALA
Atom CA of residue 29
Atom NH1 of residue 487
ASP
VAL
LEU
Atom O of residue 571
Atom CA of residue 465
Atom OE2 of residue 118
Atom CA of residue 499
Atom CA of residue 464
Atom CA of residue 498
Atom O of residue 570
Atom CA of residue 463
Atom CA of residue 497
VAL
Atom CB of residue 61
Atom CA of residue 494
Atom CG of residue 102
Atom CA of residue 492
Atom CA of residue 58
Atom CA of residue 434
Atom O of residue 486
GLN
Atom O of residue 13
Atom O of residue 61
ALA
Atom CA of residue 488
Atom O of residue 108
Atom CA of residue 133
Atom CA of residue 487
Atom CA of residue 219
Atom N of residue 525
Atom CA of residue 502
ILE
ALA
Atom CA of residue 39
Atom N of residue 117
Atom CA of residue 486
ALA
Atom CA of residue 181
Atom CA of residue 5
Atom CD2 of residue 144
Atom CA of residue 482
Atom C of residue 511
LYS
Atom CA of residue 511
Atom CA of residue 481
Atom CG of residue 108
Atom CA of residue 480
Atom CA of residue 448
GLY
VAL
Atom CA of residue 494
Atom CA of residue 2635
GLN
Atom O of residue 5
Atom CA of residue 478
LEU
Atom CA of residue 15
ILE
SER
Atom OE2 of residue 143
Atom CA of residue 447
Atom CA of residue 477
Atom CA of residue 28
LEU
ASP
LEU
Atom N of residue 106
Atom CG of residue 114
VAL
ASN
Atom CA of residue 474
Atom C of residue 10
Atom CG of residue 12
Atom CA of residue 473
Atom CA of residue 472
Atom N of residue 509
SER
Atom O of residue 575
VAL
Atom CA of residue 33
Atom CA of residue 460
Atom OE1 of residue 151
PRO
THR
ASP
Atom CA of residue 561
GLY
Atom CA of residue 475
Atom O of residue 119
Atom CG2 of residue 65
ILE
ALA
VAL
Atom CA of residue 454
SER
Atom CD2 of residue 9
PRO
Atom CA of residue 82
Atom CA of residue 451
Atom CA of residue 97
LEU
Atom CA of residue 448
Atom C of residue 503
Atom CD of residue 99
LEU
Atom CG of residue 99
Atom C of residue 567
ASN
Atom CA of residue 107
LEU
Atom C of residue 147
Atom N of residue 107
Atom CB of residue 19
Atom N of residue 122
LYS
Atom CA of residue 445
Atom CA of residue 444
GLY
Atom CA of residue 130
Atom CA of residue 73
GLU
Atom CA of residue 288
Atom N of residue 100
Atom CB of residue 59
Atom CA of residue 26
PHE
Atom CA of residue 71
DensityMap26
Atom CA of residue 440
Atom CA of residue 105
Atom CA of residue 439
PRO
Atom CB of residue 479
LEU
Atom CA of residue 438
SampledDensityMap16
Atom CA of residue 437
Atom CA of residue 436
SER
Atom N of residue 90
GLN
ALA
Atom CA of residue 118
GLU
Chain C
Atom CA of residue 472
THR
Atom CA of residue 95
ILE
TYR
Atom CA of residue 471
GLN
Atom CA of residue 470
GLU
LYS
Atom CA of residue 93
Atom CD1 of residue 480
Atom CA of residue 469
GLN
Atom CG of residue 480
Atom CA of residue 92
Atom CB of residue 446
Atom CA of residue 91
Atom CA of residue 467
VAL
Atom CA of residue 466
GLU
Atom O of residue 139
ILE
Atom O of residue 86
Atom CA of residue 52
Atom CA of residue 465
ILE
Atom CA of residue 464
VAL
Atom CA of residue 463
ASP
PRO
GLU
Atom CA of residue 307
Atom C of residue 126
LYS
GLU
Atom CA of residue 126
Atom CB of residue 25
PRO
Atom CA of residue 153
Atom CA of residue 84
Atom CA of residue 306
SER
ALA
GLU
Atom CA of residue 152
Atom CA of residue 83
Atom CA of residue 305
GLN
MET
Atom CA of residue 151
Atom CA of residue 82
Atom CA of residue 304
ALA
Atom CA of residue 150
Atom CA of residue 81
Atom CA of residue 302
VAL
GLU
Atom CA of residue 301
ARG
GLU
LYS
Atom CA of residue 147
Atom N of residue 49
Atom CA of residue 78
Atom N of residue 110
Atom CA of residue 300
LYS
PRO
Atom CA of residue 146
LEU
Atom C of residue 84
Atom CA of residue 77
Atom CA of residue 299
GLU
THR
Atom CB of residue 443
Atom CA of residue 145
Atom N of residue 137
ILE
ARG
Atom CA of residue 76
Atom CA of residue 298
TYR
HIS
Atom CA of residue 144
Atom CB of residue 48
Atom CA of residue 75
Atom CA of residue 297
Atom O of residue 23
Atom O of residue 124
GLU
Atom CA of residue 69
ASN
Atom CA of residue 143
Atom CA of residue 74
Atom CA of residue 296
VAL
ASP
Atom CA of residue 295
ARG
ALA
Atom CA of residue 141
Atom CA of residue 72
ILE
Atom CA of residue 76
Atom CA of residue 75
Atom CA of residue 68
Atom CA of residue 67
Atom C of residue 441
PHE
ASN
PRO
LEU
PHE
Atom CA of residue 64
ARG
Atom CA of residue 63
LEU
Atom C of residue 134
Atom CA of residue 20
Atom CA of residue 62
Atom CA of residue 440
SER
Atom O of residue 48
Atom CA of residue 23
Atom CA of residue 61
Atom CD2 of residue 473
Atom CA of residue 60
Atom CD1 of residue 551
LYS
Atom CG of residue 551
Atom CA of residue 59
Atom CA of residue 58
AccumulateRigidBodyDerivatives10
VAL
Atom CA of residue 133
Atom O of residue 80
Atom N of residue 44
Atom CA of residue 57
Atom CA of residue 56
GLN
Atom N of residue 439
Atom CA of residue 55
ARG
Atom CA of residue 54
Atom CA of residue 463
Atom CA of residue 36
GLN
Atom C of residue 435
Atom CG2 of residue 463
Atom CA of residue 134
Atom CA of residue 116
Atom CA of residue 135
Atom CA of residue 53
Atom CA of residue 75
ASP
python stream
GLN
Atom CA of residue 41
Atom C of residue 44
MET
THR
LYS
GLU
Atom CA of residue 38
LYS
LEU
LEU
PHE
SER
Atom CA of residue 36
Atom O of residue 554
Atom CA of residue 35
Atom NE2 of residue 547
ILE
Atom CD of residue 547
Atom CA of residue 69
Atom N of residue 43
GLU
Atom CG of residue 547
Atom N of residue 76
Atom OG of residue 42
Atom CA of residue 33
Atom CA of residue 32
SER
Atom CA of residue 31
ASP
Atom CA of residue 30
Atom CA of residue 42
Atom CA of residue 394
Atom O of residue 75
GLN
ASP
Atom CA of residue 80
Atom CA of residue 28
Atom CA of residue 79
Atom CA of residue 27
Atom O of residue 102
ASP
THR
Atom CA of residue 25
Atom N of residue 466
Atom CA of residue 63
LEU
Atom CA of residue 24
Atom CD of residue 131
SampledDensityMap5
LYS
Atom CG of residue 131
Atom N of residue 114
Atom CA of residue 23
LYS
Atom CB of residue 73
ILE
Atom CA of residue 22
Atom CA of residue 87
MapReaderWriter26
TYR
LEU
Atom CA of residue 21
Atom N of residue 468
Atom C of residue 76
PRO
Atom CA of residue 43
Atom CA of residue 2692
Atom CA of residue 34
mol_1
PRO
Atom CA of residue 155
Atom CA of residue 153
Atom CA of residue 48
Atom CA of residue 152
Atom CA of residue 150
LEU
Atom CA of residue 528
Atom CD1 of residue 523
THR
Atom O of residue 66
Atom CA of residue 34
Atom CA of residue 133
Atom N of residue 32
LEU
PHE
Atom O of residue 3
Atom CA of residue 131
PRO
Atom CZ of residue 58
Atom CA of residue 2645
ASN
GLN
LEU
Atom O of residue 118
Atom N of residue 96
Atom CA of residue 58
Atom OG of residue 7
Atom CG of residue 64
Atom CA of residue 343
ALA
GLU
Atom CA of residue 48
Atom CA of residue 129
Atom O of residue 104
Atom CA of residue 468
LEU
Atom CA of residue 466
PRO
Atom C of residue 157
HIS
Atom CA of residue 47
Atom CA of residue 128
Atom CA of residue 124
Atom CA of residue 463
THR
PRO
Atom CA of residue 462
THR
GLU
Atom C of residue 509
Atom CA of residue 122
SER
Atom CA of residue 121
VAL
GLN
Atom CA of residue 256
PRO
Atom CA of residue 97
Atom CA of residue 96
Atom CA of residue 459
VAL
GLN
Atom CA of residue 464
Atom CZ of residue 17
Atom CA of residue 117
LEU
ILE
Atom CA of residue 463
Atom CA of residue 116
Atom CA of residue 115
Atom CA of residue 112
GLN
VAL
Atom CA of residue 62
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 111
LYS
ASP
Atom CA of residue 110
ILE
Atom CD1 of residue 16
Atom CA of residue 107
Atom CB of residue 108
Atom CA of residue 84
Atom N of residue 7
Atom CA of residue 454
ALA
Atom CA of residue 83
Atom CA of residue 453
Model 7
PRO
Atom CA of residue 105
GLY
Atom CG of residue 37
ARG
Atom CA of residue 104
TRP
ALA
Atom CA of residue 103
Atom CA of residue 449
ASP
Atom CA of residue 102
LYS
Atom CZ of residue 515
Atom CA of residue 101
ASP
Atom CA of residue 100
Atom N of residue 521
PRO
Atom C of residue 43
Atom O of residue 127
LEU
Atom CA of residue 520
TYR
LEU
ASN
Atom CA of residue 2658
Atom CA of residue 48
Atom CA of residue 96
Atom CA of residue 31
Atom CA of residue 95
Atom O of residue 14
Atom CA of residue 438
LEU
Atom CD2 of residue 584
Atom CA of residue 30
Atom CA of residue 94
CYS
PRO
Atom CA of residue 29
Atom CA of residue 93
VAL
GLY
Atom CA of residue 286
GLN
ASN
Atom CA of residue 26
Atom CA of residue 90
GLU
ASP
Atom CA of residue 24
Atom CA of residue 88
ILE
PRO
Atom N of residue 34
TYR
Atom CD1 of residue 144
SER
Atom CD2 of residue 20
Atom CA of residue 33
Atom CA of residue 87
Atom CA of residue 2649
Atom CA of residue 32
Atom CA of residue 86
LEU
Atom CA of residue 154
Atom CA of residue 2648
LYS
PRO
Atom OE1 of residue 582
PRO
Atom CA of residue 2647
Atom CA of residue 30
Atom CA of residue 84
THR
HIS
Atom CB of residue 11
Atom CA of residue 29
Atom CA of residue 83
Atom CD2 of residue 512
Atom CA of residue 45
PHE
Atom CA of residue 44
LEU
Atom CA of residue 81
Atom CA of residue 25
Atom CD1 of residue 94
GLU
Atom CA of residue 60
Atom CA of residue 430
Atom CA of residue 78
PHE
Atom CA of residue 77
LYS
Atom CA of residue 2685
LEU
CYS
Atom CA of residue 2684
GLU
Atom CA of residue 75
Atom CA of residue 74
CYS
PRO
Atom N of residue 26
Atom CA of residue 507
Atom CH2 of residue 16
Atom CA of residue 234
ASP
Atom CA of residue 65
Atom CD of residue 141
Atom CA of residue 52
Atom CA of residue 313
Atom NE of residue 141
Atom CA of residue 69
Atom CA of residue 27
Atom CA of residue 280
PHE
Atom CA of residue 64
Atom C of residue 510
Atom CA of residue 279
LEU
Atom N of residue 14
ASN
Atom C of residue 71
GLU
Atom CA of residue 278
ASP
MET
Atom CA of residue 71
Atom CA of residue 2678
Atom CA of residue 62
Atom ND2 of residue 121
Atom CA of residue 584
ARG
GLU
ASN
GLN
Atom CE of residue 101
Atom CA of residue 49
Atom CA of residue 72
Atom CA of residue 61
SER
Atom CA of residue 583
Atom CA of residue 276
LEU
Atom CA of residue 59
LYS
Atom CA of residue 2676
Atom CA of residue 134
Atom CA of residue 274
GLU
Atom CA of residue 57
GLY
PHE
Atom CD of residue 21
VAL
Atom CA of residue 56
Atom O of residue 578
LYS
Atom CA of residue 55
ALA
Atom CA of residue 54
Atom O of residue 508
Atom C of residue 28
THR
Atom CA of residue 2669
PRO
PRO
Atom CA of residue 40
GLU
CYS
Atom CA of residue 2668
SER
THR
GLY
Atom O of residue 573
LYS
Atom CA of residue 2648
Atom CA of residue 50
LYS
Atom C of residue 577
Atom O of residue 28
Atom CA of residue 570
Atom CA of residue 2682
Atom CA of residue 577
LEU
Atom CA of residue 48
ALA
VAL
ARG
GLY
Atom N of residue 577
LYS
Atom CA of residue 47
NullModifier2
SER
Atom CA of residue 20
PRO
ASN
GLU
ALA
Atom CA of residue 46
ILE
Atom CA of residue 290
Atom CA of residue 2639
Atom CA of residue 60
Atom CA of residue 41
Atom CE1 of residue 578
Atom CA of residue 554
Atom CA of residue 109
Atom CA of residue 40
Atom CA of residue 2643
Atom OE1 of residue 98
Atom CA of residue 250
Atom C of residue 88
Atom CA of residue 101
Atom CA of residue 39
Atom CA of residue 572
ASP
Atom CA of residue 101
ASP
Atom CA of residue 248
Atom CA of residue 51
Atom CA of residue 37
ARG
Atom CB of residue 492
Atom CA of residue 571
THR
Atom CA of residue 542
Atom CA of residue 30
GLU
PHE
THR
Atom CA of residue 441
Atom CA of residue 523
Atom CD of residue 125
Atom CA of residue 269
ASN
LYS
ASP
Atom CA of residue 5
Atom N of residue 469
Atom CA of residue 240
Atom CA of residue 27
TYR
Atom CG of residue 500
Atom CA of residue 26
LEU
Atom CA of residue 255
Atom CA of residue 127
Atom NH1 of residue 114
Atom CA of residue 254
PHE
Atom CA of residue 179
Atom CA of residue 5
Atom CA of residue 24
Atom CA of residue 98
Atom CG of residue 130
ARG
PRO
Atom CA of residue 27
CYS
PRO
Atom OE2 of residue 122
HIS
Atom CA of residue 26
Atom CD of residue 13
Atom CA of residue 521
SER
GLY
PRO
HIS
Atom CA of residue 23
Atom CA of residue 18
Atom CA of residue 529
Fit restraint scratch map
ARG
ASN
Atom CA of residue 92
Atom CA of residue 16
Atom C of residue 17
Atom CA of residue 15
LYS
Atom CA of residue 554
ARG
Atom CA of residue 13
Atom CA of residue 12
SER
Atom CA of residue 10
VAL
ARG
Atom N of residue 84
Atom CA of residue 25
Atom CA of residue 8
Atom CA of residue 575
Atom CA of residue 38
Atom CA of residue 529
SER
ALA
Atom O of residue 497
PRO
Atom CA of residue 7
LEU
Atom CA of residue 80
LEU
Atom CA of residue 520
Atom CD1 of residue 497
ALA
Atom CE2 of residue 87
Atom CA of residue 125
Atom CA of residue 23
Atom CA of residue 5
Atom CA of residue 517
GLY
ARG
Atom CA of residue 483
Atom CA of residue 3
Atom CA of residue 55
Atom CA of residue 2
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 496
MapReaderWriter42
PRO
ALA
Atom CG of residue 584
Atom CA of residue 85
GLY
PHE
Atom CG of residue 74
GLY
Atom CA of residue 114
Atom CA of residue 153
LYS
Atom CD1 of residue 137
PRO
Atom CA of residue 154
Atom CA of residue 83
PRO
Atom CA of residue 152
Atom CA of residue 141
Atom CA of residue 31
Atom N of residue 66
Atom CA of residue 3
Atom CA of residue 24
Atom CA of residue 149
Atom CA of residue 517
Atom CE1 of residue 87
ARG
Atom CA of residue 147
Atom CD2 of residue 87
Atom CA of residue 80
ASN
LYS
Atom CA of residue 146
Atom CD1 of residue 87
Atom CA of residue 105
Atom CA of residue 148
ASN
GLU
Atom CA of residue 488
Atom CA of residue 473
Atom CA of residue 144
ARG
Atom CA of residue 78
HIS
Atom CA of residue 143
Atom CA of residue 75
VAL
Atom CA of residue 142
VAL
Atom CA of residue 2654
ARG
Atom CA of residue 23
Atom CA of residue 140
GLN
Atom CA of residue 491
LYS
Atom CA of residue 73
Atom CA of residue 139
Atom CA of residue 206
Atom CA of residue 485
Atom CA of residue 470
Atom CB of residue 89
CYS
PRO
TYR
Atom CA of residue 22
Atom CA of residue 137
Atom CA of residue 34
Atom CA of residue 143
Atom C of residue 89
LEU
Atom CA of residue 468
Atom CB of residue 135
Atom CA of residue 40
Atom CA of residue 135
Atom CD of residue 12
Atom C of residue 532
ILE
MET
TYR
Atom CA of residue 134
Atom CB of residue 74
ALA
Atom CA of residue 100
GLU
GLN
Atom CG of residue 117
LYS
HIS
Atom NE of residue 80
Atom CA of residue 132
Atom CA of residue 20
Atom CA of residue 135
Atom CA of residue 130
PRO
Atom CA of residue 128
Atom CG of residue 85
Atom CA of residue 138
ASP
Atom CA of residue 127
Atom CB of residue 85
GLN
Atom O of residue 85
VAL
ILE
Atom CA of residue 125
Atom CB of residue 92
GLU
PHE
Atom CA of residue 122
GLN
Atom CA of residue 121
Atom C of residue 92
LEU
Atom CA of residue 120
LEU
Atom N of residue 134
Atom CA of residue 577
Atom CA of residue 2641
Atom CA of residue 117
PHE
ILE
ASN
Atom O of residue 133
ALA
LYS
Atom CA of residue 115
LEU
Atom CE2 of residue 103
Atom C of residue 133
Atom N of residue 127
LEU
Atom NE2 of residue 83
Atom CA of residue 321
Atom CB of residue 74
ILE
Atom CA of residue 113
Atom CA of residue 2638
GLN
ASP
Atom CA of residue 110
ILE
VAL
Atom CG of residue 83
Atom N of residue 127
Atom CA of residue 150
THR
Atom CB of residue 83
Atom CA of residue 2636
THR
ILE
LEU
Atom CA of residue 94
Atom CA of residue 106
Atom C of residue 83
PRO
ILE
ASN
ARG
GLU
Atom CA of residue 104
Atom CA of residue 102
HIS
CYS
ILE
ASP
GLU
Atom CA of residue 97
ASN
Atom CA of residue 96
PRO
Atom CA of residue 89
CYS
Atom CA of residue 127
Atom CA of residue 73
GLU
GLY
Atom CA of residue 89
ILE
Atom CA of residue 87
Atom CA of residue 139
ASN
PRO
PRO
Atom CA of residue 462
Atom CA of residue 139
VAL
GLU
LEU
Atom CA of residue 121
Atom O of residue 129
ILE
PRO
GLU
Atom CA of residue 142
Atom CA of residue 73
Atom CA of residue 78
Atom O of residue 122
Atom CA of residue 2684
Atom CA of residue 140
Atom CA of residue 449
Atom CA of residue 71
GLU
Atom CA of residue 74
Atom CA of residue 96
PRO
Atom CA of residue 72
ALA
THR
Atom CA of residue 25
SER
Atom CA of residue 106
Atom CA of residue 68
SER
ASP
ASP
Atom OD1 of residue 482
PHE
PRO
Atom CA of residue 548
Atom CA of residue 66
Atom CA of residue 120
Atom CA of residue 135
PHE
LEU
MET
Atom CA of residue 40
Atom OE2 of residue 21
Atom CA of residue 118
PRO
Atom CA of residue 153
ARG
GLY
Atom CB of residue 565
AccumulateRigidBodyDerivatives16
Atom CA of residue 115
GLY
GLU
GLU
TRP
PRO
Atom CA of residue 53
Atom CA of residue 52
Atom N of residue 16
Atom CA of residue 157
Atom CA of residue 86
THR
Atom CD of residue 69
PHE
Atom CA of residue 51
VAL
GLU
Atom CA of residue 81
LYS
Atom CA of residue 110
GLY
Atom CA of residue 98
LYS
LYS
PRO
Atom CA of residue 46
GLY
Atom CA of residue 45
Atom O of residue 121
ALA
LEU
Atom CA of residue 44
Atom C of residue 121
Atom CA of residue 28
Atom CG of residue 22
Atom CA of residue 106
CYS
Atom CA of residue 95
Atom CA of residue 567
TRP
Atom CA of residue 21
Atom O of residue 80
Atom CA of residue 41
LEU
Atom CA of residue 40
Atom NH2 of residue 27
Atom CD of residue 118
LEU
SampledDensityMap60
ARG
MET
TRP
ASN
Atom CA of residue 38
Atom CA of residue 144
Atom CG2 of residue 5
Atom O of residue 103
PHE
GLU
ASN
Atom N of residue 469
Atom CA of residue 44
TYR
Atom CA of residue 40
Atom CA of residue 35
GLY
Atom CA of residue 541
Atom CA of residue 34
Atom CA of residue 95
Atom CA of residue 33
ALA
Atom CA of residue 570
PRO
LYS
ILE
GLU
ILE
Atom CA of residue 8
Atom CA of residue 32
LEU
Atom CA of residue 21
Atom CA of residue 31
xxx.em
Atom CA of residue 29
Atom CA of residue 28
Atom CA of residue 70
CYS
Atom CA of residue 26
SER
Atom CG of residue 79
Atom CA of residue 25
Atom CB of residue 148
Atom CA of residue 30
PHE
Atom CA of residue 22
ASP
ASP
LYS
Atom CA of residue 20
Atom CA of residue 150
Atom CA of residue 79
PRO
Atom CA of residue 18
Atom C of residue 73
ARG
Atom CA of residue 56
Atom CA of residue 14
TRP
LYS
Atom C of residue 116
Atom CA of residue 338
Atom CA of residue 530
Atom CB of residue 79
Atom CA of residue 14
ALA
Atom CA of residue 13
LEU
Atom CG1 of residue 45
Atom CA of residue 532
GLU
Atom CB of residue 71
Atom CE of residue 101
VAL
LEU
Atom CA of residue 100
Atom CA of residue 12
Atom O of residue 546
Atom CA of residue 143
Atom CA of residue 59
Atom CA of residue 10
Atom CA of residue 9
P0
LEU
Atom CA of residue 8
THR
Atom CA of residue 55
SER
Atom CA of residue 7
Atom CA of residue 381
SER
Atom N of residue 116
ALA
THR
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Model 28
Atom N of residue 32
Atom CB of residue 536
THR
Atom CA of residue 93
ALA
Atom C of residue 134
Atom CG of residue 446
VAL
Atom CA of residue 561
Atom N of residue 134
Atom CA of residue 30
Atom CB of residue 133
Atom O of residue 142
Atom CA of residue 2685
LEU
ILE
Atom O of residue 133
Atom C of residue 133
Atom OD1 of residue 433
Atom CA of residue 440
Atom CA of residue 44
Atom CA of residue 133
LYS
SER
ALA
Atom CB of residue 20
LEU
Atom CA of residue 11
Atom CG2 of residue 132
Atom CB of residue 132
PHE
Atom CA of residue 149
LEU
PRO
Atom CA of residue 38
Atom O of residue 132
PRO
Atom CA of residue 32
Atom CA of residue 132
Atom CB of residue 131
Atom NE2 of residue 547
Chain C
Atom ND2 of residue 140
GLU
THR
Atom O of residue 131
Atom C of residue 131
HIS
Atom ND2 of residue 130
Atom CA of residue 26
Atom CA of residue 122
Atom N of residue 465
LEU
Atom N of residue 131
Atom OD1 of residue 130
LYS
Atom N of residue 129
Atom CZ of residue 128
Atom CG of residue 154
Atom CA of residue 113
Atom CA of residue 83
Atom CE1 of residue 128
VAL
Atom CA of residue 82
Atom CD1 of residue 128
THR
Atom N of residue 128
Atom CD of residue 127
VAL
Atom O of residue 127
Atom NH2 of residue 125
Atom CG of residue 102
Atom NH1 of residue 125
Atom NE of residue 125
Atom CD of residue 125
ASP
GLN
CYS
Atom CB of residue 125
Atom CB of residue 124
Atom CA of residue 77
Atom CB of residue 123
Atom CG1 of residue 117
Atom O of residue 123
Atom C of residue 105
Atom C of residue 123
ARG
SER
Atom CA of residue 123
Atom CA of residue 154
Atom CA of residue 129
LYS
Atom OD2 of residue 122
Atom CA of residue 180
Atom CA of residue 2
Atom CG of residue 519
SER
Atom CB of residue 122
Atom CB of residue 519
Atom CA of residue 4
Atom CA of residue 2665
ARG
Atom O of residue 122
Atom CA of residue 122
Atom CD of residue 121
Atom CB of residue 121
Atom CA of residue 52
Atom CA of residue 74
Atom CA of residue 121
SER
PRO
DensityMap12
Atom N of residue 121
Atom CA of residue 134
Atom CD1 of residue 120
LEU
GLN
LEU
Atom CB of residue 120
Atom CA of residue 2651
Atom N of residue 120
Atom CA of residue 435
ASP
PRO
Atom O of residue 119
Atom ND2 of residue 95
Atom N of residue 119
Atom CA of residue 116
Atom O of residue 118
Atom O of residue 31
ARG
PRO
Atom C of residue 441
GLY
Atom CA of residue 559
PRO
Atom CA of residue 48
Atom CG1 of residue 117
Atom CA of residue 26
Atom OD1 of residue 93
Atom O of residue 117
ALA
Atom C of residue 116
HIS
Atom CA of residue 458
Atom C of residue 115
Atom O of residue 48
Atom CB of residue 21
Atom CA of residue 7
Atom CA of residue 71
LEU
Atom CA of residue 31
Atom NH1 of residue 115
Atom CE1 of residue 550
Atom NE of residue 115
Atom CA of residue 460
Atom OH of residue 16
Atom CA of residue 360
Atom CA of residue 65
Atom CA of residue 32
Atom CG of residue 76
VAL
MET
Atom CA of residue 368
GLY
THR
GLU
Atom C of residue 115
Atom CE3 of residue 103
ILE
Atom CB of residue 105
Atom CA of residue 121
Atom CA of residue 435
Atom CA of residue 111
Atom CD1 of residue 4
PHE
Atom NH1 of residue 114
Atom CA of residue 105
Atom CA of residue 76
Atom N of residue 114
Atom O of residue 113
Atom CA of residue 73
Atom N of residue 445
Atom CB of residue 113
VAL
SER
Atom CB of residue 121
Atom CA of residue 113
ASP
PHE
THR
Atom CG of residue 121
Atom N of residue 113
Atom N of residue 3
Atom CA of residue 433
Atom CA of residue 64
Atom CA of residue 515
UpdateRigidBodyMembers15
Atom CG1 of residue 112
GLY
GLU
LEU
Atom OE2 of residue 111
Atom CA of residue 108
Atom CD of residue 111
Atom CB of residue 111
SER
Atom CG of residue 111
HIS
Atom CA of residue 565
DensityMap23
Atom O of residue 111
Atom CA of residue 70
Atom CD2 of residue 570
Atom CA of residue 300
Atom CA of residue 141
GLU
mol_0 rigid body rigid body positions
Atom CA of residue 201
Atom CA of residue 111
GLY
Atom CD2 of residue 16
Atom O of residue 16
Atom CG of residue 110
Atom CA of residue 110
Atom CD1 of residue 15
ASP
ALA
Atom CA of residue 32
Atom CG of residue 495
Atom CA of residue 534
Atom O of residue 118
Atom CG1 of residue 15
Atom OG of residue 109
Atom CA of residue 30
Atom CA of residue 500
Atom O of residue 15
Atom O of residue 109
PRO
Atom CA of residue 29
Atom C of residue 15
Atom C of residue 109
Atom CA of residue 18
ASN
Atom N of residue 6
Atom CA of residue 131
ALA
Atom CB of residue 480
Atom CA of residue 74
Atom CA of residue 443
Atom CA of residue 15
Atom CA of residue 109
Atom CA of residue 290
GLN
ASP
Atom CA of residue 454
Atom CA of residue 555
SER
Atom C of residue 568
Atom O of residue 14
Atom CB of residue 108
GLN
Atom N of residue 21
PRO
ARG
Atom CD of residue 36
ASP
Atom N of residue 108
Atom CG2 of residue 107
Atom CB of residue 107
Atom O of residue 107
VAL
Atom CE1 of residue 106
Atom CG of residue 106
Atom C of residue 129
Atom CA of residue 9
Atom CA of residue 65
Atom CB of residue 118
PRO
GLN
GLU
Atom CA of residue 540
Atom CA of residue 2646
Atom CA of residue 69
AccumulateRigidBodyDerivatives11
GLY
TYR
Atom CA of residue 62
Atom N of residue 106
Atom CA of residue 271
HIS
Atom CG of residue 105
Atom CA of residue 51
Atom CB of residue 105
Atom O of residue 105
GLN
Atom CA of residue 535
ASN
GLU
PRO
SampledDensityMap0
Atom CB of residue 112
PRO
Atom CE3 of residue 104
Atom CA of residue 510
Atom CA of residue 2679
Atom CA of residue 63
ARG
Atom CE2 of residue 104
Atom CA of residue 20
GLU
Atom CA of residue 60
Atom CA of residue 20
Atom CB of residue 104
Atom CB of residue 78
Atom CA of residue 40
Atom O of residue 104
Atom N of residue 35
Atom CA of residue 12
Atom CA of residue 70
Atom CA of residue 503
Atom CA of residue 34
GLY
Atom CA of residue 104
Atom CA of residue 202
ASN
Atom CD of residue 27
PRO
Atom CG of residue 110
Atom O of residue 103
TRP
Atom CA of residue 39
GLU
VAL
ARG
GLU
Atom CA of residue 379
Atom N of residue 103
Atom OD2 of residue 102
Atom CA of residue 39
Atom N of residue 110
Atom OD1 of residue 102
Atom CA of residue 233
Model 41
Atom C of residue 77
Atom CA of residue 51
LYS
Atom CB of residue 101
Atom CA of residue 17
Atom OE2 of residue 100
P1
Atom CA of residue 8
GLN
Atom OE1 of residue 100
GLU
Atom CA of residue 509
Atom C of residue 30
GLU
Atom O of residue 100
GLU
Atom OG of residue 574
PRO
Atom CA of residue 107
Atom CA of residue 71
Atom OD2 of residue 99
VAL
Atom CG of residue 99
Atom CA of residue 10
Atom CB of residue 99
ILE
Atom O of residue 99
ALA
Atom ND1 of residue 98
Atom N of residue 91
GLU
Atom O of residue 90
VAL
Atom N of residue 9
Atom O of residue 98
Atom N of residue 61
Atom C of residue 98
Atom CA of residue 181
HIS
Atom CA of residue 556
Atom CG2 of residue 97
THR
Atom CG of residue 71
Atom CE of residue 96
Atom CB of residue 96
LYS
Atom O of residue 96
Atom CA of residue 96
Atom CA of residue 19
Atom N of residue 61
Atom N of residue 488
MET
Atom O of residue 95
Atom CD2 of residue 562
Atom C of residue 69
Atom C of residue 12
ILE
Atom C of residue 95
PHE
Atom CA of residue 443
Atom CB of residue 94
Atom CA of residue 50
Atom C of residue 94
Atom O of residue 561
ARG
Atom CA of residue 94
ILE
Atom CA of residue 3
Atom CA of residue 30
Atom CA of residue 2664
Atom N of residue 94
PHE
Atom CA of residue 171
Atom CA of residue 49
Atom OD1 of residue 93
Atom CD2 of residue 560
Atom CG of residue 93
Atom CA of residue 478
LEU
ILE
ASP
Atom N of residue 560
Atom N of residue 449
PHE
Atom CA of residue 2663
Atom N of residue 93
ALA
Atom CA of residue 24
Atom CA of residue 146
THR
Atom C of residue 559
Atom C of residue 92
Atom CA of residue 559
Atom CA of residue 92
LEU
LYS
Atom C of residue 91
Atom N of residue 484
LEU
GLY
Atom CD1 of residue 90
Atom CB of residue 17
Atom CD of residue 557
Atom O of residue 90
PHE
TYR
Atom CA of residue 130
Atom CA of residue 79
Atom CA of residue 90
ILE
Atom CA of residue 196
Atom CA of residue 565
ASN
Atom O of residue 89
Atom C of residue 89
Atom CA of residue 89
Atom CE2 of residue 536
Atom N of residue 149
Atom CA of residue 571
Atom CA of residue 47
LEU
Atom CA of residue 481
Atom CA of residue 125
DensityMap884
ILE
Atom CA of residue 41
VAL
Atom CA of residue 124
Atom CA of residue 2
Atom N of residue 89
Atom CA of residue 123
Atom OD2 of residue 88
THR
Atom O of residue 88
MET
Atom C of residue 88
PHE
Atom CA of residue 557
Atom CA of residue 51
HIS
Atom OG1 of residue 87
Atom CA of residue 176
Atom CZ of residue 16
Atom CD of residue 50
Atom CA of residue 63
Atom CA of residue 563
LEU
Atom CA of residue 62
Atom CA of residue 96
Atom CD of residue 139
Atom CD1 of residue 86
PHE
Atom CA of residue 24
CYS
Atom CG of residue 139
Atom CG of residue 86
Atom CA of residue 139
Atom CA of residue 73
Atom CA of residue 86
Atom CB of residue 445
Atom CD1 of residue 85
Atom O of residue 138
Atom CG of residue 85
Atom C of residue 138
Atom CB of residue 85
Atom C of residue 85
Atom CA of residue 85
Atom CA of residue 72
Atom OE2 of residue 444
Atom OH of residue 137
LEU
Atom CA of residue 70
Atom CD of residue 444
Atom NH2 of residue 84
ALA
LYS
Atom CB of residue 444
GLY
Atom CA of residue 541
Atom CA of residue 44
Atom CA of residue 2631
Atom C of residue 444
Atom CD of residue 84
LEU
Atom CA of residue 444
TYR
Atom O of residue 137
Atom CB of residue 84
LEU
TYR
Atom CG1 of residue 532
GLU
LYS
Atom CA of residue 51
VAL
GLN
Atom OE2 of residue 83
Atom CA of residue 59
Atom C of residue 15
Atom CA of residue 50
LEU
Atom CA of residue 443
Atom CA of residue 480
TYR
Atom CG1 of residue 136
Atom OE1 of residue 83
Atom CB of residue 449
Atom CA of residue 542
Atom CG of residue 449
Atom CA of residue 51
Atom CA of residue 165
Atom CA of residue 136
Atom O of residue 83
GLU
Atom N of residue 505
Atom CB of residue 82
Atom C of residue 82
Atom C of residue 34
TYR
Atom N of residue 88
GLU
ALA
Atom CZ of residue 8
ILE
ASP
Atom N of residue 82
ASP
Atom CA of residue 441
Atom CA of residue 66
Atom CA of residue 103
Atom CD2 of residue 81
Atom CA of residue 104
Atom CA of residue 31
Atom CD1 of residue 81
Atom CA of residue 108
PRO
ILE
Atom CA of residue 532
Atom CA of residue 31
Atom CA of residue 64
ALA
LYS
Atom CE2 of residue 551
Atom CG of residue 440
GLU
Atom N of residue 81
Atom NH2 of residue 80
Atom NH1 of residue 80
Atom CB of residue 133
Atom CD of residue 80
Atom OE1 of residue 132
Atom N of residue 80
Atom O of residue 472
Atom NE2 of residue 79
Atom CB of residue 132
Atom CD2 of residue 79
PRO
Atom CA of residue 20
Atom CA of residue 76
LEU
Atom CA of residue 132
Atom CB of residue 79
Atom C of residue 46
Atom CA of residue 34
Model 10
ASN
Atom N of residue 37
Atom CA of residue 7
Atom CE of residue 78
ASP
Atom CD of residue 78
Atom CA of residue 148
Atom CA of residue 4
Atom CA of residue 87
Atom N of residue 132
Atom CA of residue 31
LEU
HIS
Atom CB of residue 78
VAL
Atom CA of residue 103
PHE
Atom O of residue 78
Atom CB of residue 92
PRO
LYS
Atom N of residue 45
Atom NH1 of residue 77
VAL
PRO
Atom CZ of residue 77
Atom CG of residue 130
Atom CA of residue 72
Atom CA of residue 550
Atom CG of residue 77
Chain  
Atom CA of residue 71
Atom CB of residue 77
Atom CB of residue 130
Atom CA of residue 70
ARG
Atom CA of residue 48
Atom CA of residue 510
Atom O of residue 130
Atom C of residue 77
Atom N of residue 130
LYS
Atom CA of residue 73
GLN
Atom N of residue 432
Atom O of residue 76
Atom CA of residue 153
SER
Atom CA of residue 157
Atom CA of residue 76
GLU
LEU
Atom O of residue 110
PRO
Atom CD2 of residue 128
TYR
Atom CB of residue 42
Atom CG2 of residue 75
Atom CG of residue 128
Atom CB of residue 75
Atom CB of residue 128
GLY
Atom CA of residue 7
Atom CA of residue 75
Atom O of residue 582
Atom CA of residue 2685
Atom CA of residue 78
Atom CB of residue 126
Atom C of residue 73
MET
Atom CB of residue 72
Atom N of residue 23
Atom CA of residue 2679
Atom CA of residue 72
Atom C of residue 124
GLN
Atom CD1 of residue 71
Atom CA of residue 124
Atom CG of residue 71
Atom O of residue 71
ARG
Atom CA of residue 523
Atom C of residue 71
Atom CB of residue 123
Atom CA of residue 522
LEU
Atom OE2 of residue 105
Chain A
GLN
Atom O of residue 70
SER
Atom CA of residue 516
Atom NH1 of residue 69
Atom CA of residue 156
VAL
Atom CA of residue 514
LYS
Atom CA of residue 60
Atom CA of residue 475
ALA
Atom NE of residue 69
Atom CA of residue 36
Atom CD of residue 69
Atom CG of residue 69
Atom C of residue 121
Atom CB of residue 35
Atom N of residue 69
Atom CA of residue 77
MET
Atom CA of residue 35
Atom CA of residue 68
THR
Atom N of residue 100
Atom CB of residue 98
Atom CA of residue 77
MET
Atom O of residue 67
ALA
Atom CA of residue 436
Atom CA of residue 488
Atom CA of residue 67
Atom O of residue 120
Atom CA of residue 124
Atom CA of residue 53
Atom N of residue 67
Atom C of residue 120
Atom C of residue 67
Atom CA of residue 120
LEU
ARG
ARG
Atom C of residue 494
Atom CB of residue 66
Atom OE1 of residue 19
Atom CA of residue 260
ILE
Atom CA of residue 2654
Atom C of residue 65
MET
Atom CA of residue 65
Atom OE1 of residue 118
THR
ASN
Atom CA of residue 574
SER
LYS
MET
Atom CD of residue 118
Atom CA of residue 107
Atom CA of residue 339
Atom CA of residue 118
Atom N of residue 65
Atom CG of residue 128
LEU
TYR
Atom CE of residue 64
Atom OD2 of residue 19
PHE
THR
Atom CD1 of residue 41
Atom CA of residue 481
Atom CD of residue 63
ALA
Atom CA of residue 28
Atom CG of residue 41
Atom C of residue 41
Atom CA of residue 109
Atom CA of residue 330
Atom C of residue 63
ALA
Atom N of residue 97
LYS
Atom CA of residue 564
PRO
Atom CA of residue 76
Atom CA of residue 28
GLU
Atom CA of residue 108
Atom CA of residue 329
GLN
TYR
Atom NE of residue 17
Atom CA of residue 546
Atom CD2 of residue 62
Atom CA of residue 51
GLY
Atom CA of residue 83
PRO
Atom CG of residue 62
PRO
Atom CA of residue 104
Atom CA of residue 325
Atom O of residue 62
Atom CA of residue 129
Atom CD2 of residue 114
TYR
Atom CA of residue 468
CYS
Atom CA of residue 231
Atom N of residue 62
PHE
Atom O of residue 551
Atom OG of residue 61
LYS
Atom C of residue 453
LYS
Atom CD2 of residue 120
Atom O of residue 61
Atom CA of residue 61
GLU
Atom CA of residue 93
MET
SER
Atom CA of residue 15
VAL
Atom N of residue 70
SER
Atom N of residue 50
SER
Atom ND2 of residue 95
Atom NE of residue 60
Atom CA of residue 44
Atom CA of residue 60
Atom OD1 of residue 66
Atom C of residue 69
Atom N of residue 60
ILE
Atom CA of residue 513
Atom OD1 of residue 59
Atom CA of residue 499
Atom CA of residue 289
Atom C of residue 59
GLY
Atom CA of residue 58
Atom CA of residue 63
ASN
Atom O of residue 471
PHE
Atom CG1 of residue 55
LEU
TYR
Atom CZ of residue 13
Atom CA of residue 67
Atom CG2 of residue 470
Atom CA of residue 28
CYS
VAL
Atom O of residue 125
Atom CG of residue 72
GLU
Atom NZ of residue 59
GLU
Atom CG2 of residue 54
Atom O of residue 470
Atom CA of residue 35
Atom CA of residue 84
Atom CG1 of residue 54
TRP
Atom CA of residue 14
Atom CA of residue 54
Atom C of residue 63
Atom C of residue 27
Atom CD1 of residue 53
ILE
Atom C of residue 26
Atom C of residue 52
Atom CA of residue 37
Atom N of residue 70
Atom CA of residue 33
Atom CA of residue 85
Atom N of residue 26
Atom N of residue 52
Atom CA of residue 84
Atom CD of residue 25
HIS
Atom OD2 of residue 51
Atom NE1 of residue 103
Atom CA of residue 108
Atom CA of residue 56
Chain A
CYS
Atom CA of residue 8
Atom CG2 of residue 24
Atom N of residue 51
Atom CA of residue 523
Atom CA of residue 476
GLU
Atom NH2 of residue 50
Atom CG2 of residue 563
SER
Atom CA of residue 21
Atom NH1 of residue 50
Atom C of residue 49
Atom CA of residue 49
Atom CA of residue 55
ASN
MET
Atom CA of residue 543
Atom CA of residue 52
Atom NH1 of residue 47
Atom CA of residue 16
Atom CD of residue 47
Atom CD2 of residue 134
Atom CA of residue 47
PRO
ARG
MET
Atom O of residue 559
CYS
Atom N of residue 47
Atom CA of residue 60
Atom CG2 of residue 45
Atom CA of residue 54
Atom CA of residue 70
Atom CA of residue 56
Atom CA of residue 127
Atom CA of residue 39
ASN
Atom CB of residue 126
Atom N of residue 26
PHE
Atom CA of residue 138
TYR
LEU
LYS
Atom N of residue 20
Atom O of residue 46
ALA
Atom CA of residue 573
Atom C of residue 46
Atom CA of residue 143
Atom CA of residue 103
SER
Atom CA of residue 140
LYS
GLU
LYS
Atom CA of residue 46
ARG
TYR
Atom O of residue 45
Atom CA of residue 109
Atom C of residue 19
Atom CG2 of residue 44
THR
Atom CA of residue 533
Atom CA of residue 81
LEU
Atom CA of residue 126
Atom N of residue 44
Atom NE2 of residue 43
Atom CD of residue 43
Atom CG of residue 460
LEU
Atom CA of residue 33
Atom CA of residue 18
Atom N of residue 43
Atom C of residue 460
Atom C of residue 42
Atom CA of residue 67
Atom CA of residue 42
LEU
SER
Atom N of residue 42
ALA
Atom CA of residue 34
Atom CA of residue 11
Atom CG1 of residue 41
Atom CB of residue 41
MET
Atom CA of residue 248
Atom O of residue 41
Atom CG of residue 31
Atom CD of residue 27
Atom CA of residue 536
Atom CA of residue 21
Atom CA of residue 13
Atom N of residue 41
Atom CG2 of residue 40
Atom CG of residue 133
Atom N of residue 2
Atom CB of residue 40
Atom C of residue 81
ASP
VAL
Atom CA of residue 523
Atom N of residue 81
Atom CA of residue 29
Atom CG of residue 39
Atom CA of residue 14
MET
Atom O of residue 39
Atom C of residue 78
LYS
ILE
Atom N of residue 133
PRO
THR
Atom C of residue 39
Atom CA of residue 39
Atom CA of residue 27
Atom CA of residue 328
ILE
SampledDensityMap20
Atom CA of residue 440
GLN
Atom N of residue 39
Atom C of residue 458
Atom C of residue 125
Atom O of residue 38
Atom O of residue 554
LYS
Atom CA of residue 241
Atom C of residue 38
Atom CA of residue 38
Atom CA of residue 131
Atom NZ of residue 78
Atom C of residue 554
Atom CA of residue 248
Atom O of residue 51
GLY
Atom N of residue 38
ALA
Atom CB of residue 37
LEU
Atom CA of residue 5
Atom O of residue 37
SER
Atom CA of residue 120
Atom C of residue 37
Atom CA of residue 37
THR
SER
VAL
MET
Atom CA of residue 580
Atom N of residue 40
Atom CA of residue 28
Atom CB of residue 37
Atom CA of residue 36
Atom CG of residue 50
GLN
Atom O of residue 37
Atom N of residue 36
VAL
Atom CA of residue 58
Atom CD1 of residue 456
PRO
Atom OD1 of residue 508
Atom CA of residue 64
HIS
Atom OE1 of residue 35
ILE
Atom CA of residue 37
Atom CA of residue 15
PRO
Atom CA of residue 84
Atom CD of residue 35
THR
LYS
ALA
Atom CA of residue 122
Atom CG of residue 78
ARG
ARG
Atom CB of residue 35
Atom CA of residue 118
Atom CA of residue 61
DensityMap1070
Atom O of residue 35
GLN
Atom CA of residue 43
Atom CA of residue 97
PRO
Atom CA of residue 35
Atom CA of residue 96
Atom N of residue 49
Atom N of residue 35
Atom NH2 of residue 33
ALA
Atom O of residue 48
PHE
Atom C of residue 49
Atom CA of residue 501
Atom NH1 of residue 33
Atom CD of residue 33
ASP
Atom CA of residue 88
Atom N of residue 455
ASP
Atom OE1 of residue 83
Atom CB of residue 77
Atom O of residue 33
THR
Atom N of residue 33
Atom CA of residue 2692
Atom CA of residue 559
Atom CA of residue 148
Atom CD of residue 32
Atom CA of residue 21
Atom CA of residue 56
Atom C of residue 48
Atom CG of residue 32
Atom CA of residue 149
Atom C of residue 32
Atom N of residue 32
Atom SD of residue 520
Atom O of residue 40
Atom CA of residue 498
Atom CA of residue 31
Atom CG of residue 127
ALA
Atom C of residue 74
Atom CA of residue 48
Atom CA of residue 74
Atom N of residue 453
Atom CA of residue 84
ARG
ALA
GLN
Atom O of residue 30
Atom C of residue 30
Atom N of residue 127
Atom CA of residue 68
ARG
PRO
Atom N of residue 452
Atom N of residue 30
Atom CA of residue 125
VAL
Atom N of residue 73
Atom NE2 of residue 548
Atom CA of residue 282
Atom C of residue 29
ARG
Atom CA of residue 200
Atom CB of residue 28
VAL
Atom CZ of residue 125
ALA
Atom CA of residue 506
MET
Atom CA of residue 111
Atom CA of residue 2652
Atom CA of residue 5
Atom O of residue 124
Atom CD2 of residue 71
Atom C of residue 43
Atom NH1 of residue 27
GLY
Atom N of residue 450
Atom CZ of residue 27
Atom N of residue 43
Atom CG of residue 27
Atom CA of residue 141
ALA
Atom O of residue 27
ILE
Atom CA of residue 462
ASP
Atom CA of residue 77
Atom O of residue 150
SER
Atom CA of residue 125
ARG
SER
Atom CA of residue 71
Atom CA of residue 143
Atom CD2 of residue 26
Atom O of residue 42
Atom NH2 of residue 149
Atom CA of residue 2674
Atom O of residue 124
Atom CG of residue 437
SER
LEU
Atom CG of residue 25
Atom CA of residue 31
ILE
Atom CA of residue 11
Atom C of residue 25
Atom CG of residue 113
Atom CA of residue 2
PRO
GLY
THR
Atom CG2 of residue 24
THR
THR
PHE
ASN
Atom CG1 of residue 23
Atom CA of residue 134
Atom O of residue 23
Atom CA of residue 27
Atom CA of residue 22
Atom CA of residue 454
PHE
Atom N of residue 22
Atom CA of residue 169
Atom CD of residue 21
Atom CA of residue 137
LYS
Atom CB of residue 21
Atom CA of residue 493
TRP
ARG
Atom CA of residue 46
ARG
VAL
ARG
Atom OE1 of residue 20
Atom CA of residue 21
Atom CA of residue 150
ARG
Atom CG of residue 20
Atom CB of residue 20
PRO
Atom C of residue 20
Atom CA of residue 20
GLU
Atom OE2 of residue 19
Atom CA of residue 70
Atom CA of residue 117
Atom CG of residue 19
PRO
Atom CD of residue 35
Atom NE2 of residue 544
Atom CA of residue 465
Atom CB of residue 19
Atom N of residue 64
GLU
Atom CA of residue 161
Atom CD2 of residue 18
Atom N of residue 117
Atom CA of residue 39
Atom CA of residue 109
Atom CD1 of residue 18
Atom CA of residue 115
LEU
Atom CA of residue 109
Atom CA of residue 153
PHE
Atom CA of residue 56
Atom N of residue 50
Atom CA of residue 448
Atom CA of residue 2659
Atom CD2 of residue 570
TYR
Atom CG of residue 121
Atom CA of residue 152
Atom CA of residue 482
Atom O of residue 570
Atom CA of residue 506
ASN
Atom C of residue 17
Atom CA of residue 447
Atom CA of residue 2658
Atom CA of residue 151
Atom CA of residue 177
GLU
Atom CA of residue 119
Atom C of residue 138
LEU
VAL
Atom CD2 of residue 16
Atom CE1 of residue 68
Atom CB of residue 16
Atom O of residue 16
Atom O of residue 543
Atom CG2 of residue 25
ASP
TYR
ASP
Atom CG2 of residue 15
LEU
Atom CG1 of residue 15
Atom O of residue 15
ILE
GLY
Atom C of residue 130
ASN
Atom CZ of residue 13
Atom CA of residue 106
Atom NE of residue 13
LEU
Atom C of residue 110
Atom CA of residue 7
PRO
VAL
Atom CA of residue 576
Atom CB of residue 106
Atom CB of residue 13
THR
ASN
Atom C of residue 13
Atom CG of residue 538
GLN
ILE
Atom CA of residue 13
Atom CA of residue 316
GLU
Atom CA of residue 315
Atom N of residue 13
Atom CA of residue 467
Atom CE of residue 520
LYS
Atom CA of residue 44
Atom CA of residue 115
DensityMap19
Atom CB of residue 12
GLU
Atom O of residue 14
Atom CA of residue 444
ASP
Atom CA of residue 142
Atom CB of residue 36
Atom O of residue 12
Atom CA of residue 338
Atom CA of residue 145
Atom CA of residue 2647
SER
Atom CG1 of residue 136
Atom OH of residue 11
Atom CA of residue 2662
Atom CA of residue 112
VAL
TRP
Atom CE1 of residue 11
Atom CA of residue 40
Atom CA of residue 19
Atom C of residue 37
Atom C of residue 24
VAL
Atom CG of residue 11
ARG
PRO
GLY
Atom CA of residue 46
Atom CA of residue 127
ARG
Atom N of residue 23
Atom N of residue 124
Atom NH2 of residue 114
Atom CB of residue 128
PHE
Atom CA of residue 579
Atom CA of residue 3
Atom C of residue 11
SER
MET
Atom O of residue 10
LYS
Atom CA of residue 145
Atom CA of residue 10
Atom CB of residue 132
VAL
Atom CA of residue 97
MET
Atom CA of residue 33
LEU
Atom CA of residue 146
Atom CD of residue 9
LEU
Atom N of residue 106
Atom CA of residue 438
Atom CG of residue 9
Atom CB of residue 9
Atom CG of residue 30
GLY
Atom CB of residue 61
Atom O of residue 9
Atom CB of residue 123
Atom CA of residue 97
TYR
Atom NE of residue 114
Atom C of residue 9
THR
PHE
ILE
GLU
LYS
Atom CA of residue 28
Atom CB of residue 8
LEU
THR
Atom CA of residue 149
Atom C of residue 8
Atom O of residue 64
Atom CA of residue 8
ASP
Atom CA of residue 140
Atom O of residue 7
LEU
Atom OD1 of residue 31
Atom C of residue 536
Atom OD2 of residue 6
LEU
Atom C of residue 6
Atom CA of residue 323
ASP
Atom NZ of residue 121
Atom CB of residue 5
ALA
ILE
Atom O of residue 5
Atom CA of residue 5
ASP
Atom O of residue 4
THR
Atom CA of residue 112
LEU
Atom C of residue 4
Chain  
SER
Atom CA of residue 59
Atom CA of residue 104
1tdx.pdb
Atom O of residue 110
Atom CA of residue 141
Atom CA of residue 113
Atom N of residue 4
HIS
DensityMap52
GLU
GLU
GLU
Atom CA of residue 569
Atom CA of residue 137
TYR
Atom CA of residue 561
Atom CA of residue 2679
Atom CA of residue 33
Atom CA of residue 34
Atom CB of residue 136
Atom O of residue 119
Atom CZ of residue 33
Atom N of residue 136
Atom CA of residue 154
Atom CA of residue 68
Atom CG of residue 33
Atom CA of residue 500
Atom CG of residue 135
Atom CG1 of residue 119
SER
Atom CA of residue 135
LEU
Atom CA of residue 41
LYS
Atom CA of residue 18
Atom O of residue 134
Atom N of residue 118
Atom N of residue 134
Atom CA of residue 543
Atom CD of residue 133
Atom CA of residue 13
Atom OE1 of residue 117
THR
LYS
Atom CG of residue 133
Atom OD1 of residue 121
Atom N of residue 46
GLY
Atom CA of residue 144
VAL
Atom CA of residue 133
Atom CD1 of residue 132
Atom OE1 of residue 571
Atom CB of residue 132
Atom O of residue 132
Atom C of residue 571
Atom CA of residue 334
Atom CA of residue 102
Atom C of residue 132
ARG
mol_0
Atom CA of residue 101
Atom CG1 of residue 30
Atom CA of residue 333
ILE
GLU
Atom CB of residue 570
ASN
Atom CB of residue 30
Atom N of residue 132
Atom CA of residue 533
Atom CG of residue 131
GLU
LEU
Atom O of residue 131
Atom O of residue 29
Atom O of residue 130
Atom CA of residue 22
Atom CA of residue 78
LEU
PHE
Atom C of residue 28
Atom CA of residue 129
Atom N of residue 129
HIS
Atom CD2 of residue 128
Atom O of residue 128
Atom CA of residue 517
Atom C of residue 128
Atom C of residue 450
Atom C of residue 27
PRO
Atom CA of residue 128
Atom CD of residue 114
Atom CA of residue 519
ALA
PRO
Atom CA of residue 101
LEU
Atom OG of residue 126
Atom CA of residue 312
AccumulateRigidBodyDerivatives14
Atom O of residue 61
Atom CA of residue 570
ARG
Atom C of residue 61
Atom NH2 of residue 448
Atom CA of residue 574
Atom C of residue 90
LEU
Atom CD of residue 25
Atom O of residue 126
AccumulateRigidBodyDerivatives12
Atom NH2 of residue 125
GLU
Atom CA of residue 125
Atom N of residue 26
Atom C of residue 16
Atom CA of residue 517
THR
Atom N of residue 24
ARG
Atom CG2 of residue 23
ILE
Atom N of residue 125
mol_1 rigid body rigid body positions
Atom C of residue 23
Atom C of residue 124
VAL
SER
GLU
Atom CA of residue 60
Atom CA of residue 144
Atom CA of residue 81
Atom CG2 of residue 123
VAL
LEU
Atom C of residue 110
Atom N of residue 446
Atom CB of residue 114
Atom CA of residue 123
Atom CA of residue 2660
Atom N of residue 123
ALA
Atom CA of residue 446
Atom OD2 of residue 122
Atom OD1 of residue 122
Atom CG of residue 502
Atom OE1 of residue 98
Atom CA of residue 291
PHE
ASN
PHE
Atom O of residue 122
Atom CE of residue 121
Atom CD of residue 121
Atom C of residue 101
Atom CB of residue 53
Atom C of residue 14
Atom O of residue 108
Atom O of residue 121
PHE
Atom CA of residue 571
Atom C of residue 107
Atom O of residue 500
Atom CD of residue 79
Atom CA of residue 274
LEU
Atom CB of residue 120
Atom O of residue 120
LYS
LEU
Atom N of residue 107
LEU
Atom CA of residue 2673
Atom C of residue 120
ALA
LEU
LEU
Atom CG2 of residue 119
Atom CG1 of residue 119
MapReaderWriter10
Atom CB of residue 119
VAL
Atom CB of residue 133
Atom CA of residue 2643
ASP
Atom N of residue 119
THR
Atom NZ of residue 118
Atom CE of residue 118
Atom N of residue 83
LEU
Atom CA of residue 121
ASP
Atom CG of residue 118
Atom CA of residue 142
SER
Atom CA of residue 272
Atom CZ3 of residue 104
GLN
Atom N of residue 581
Atom NE of residue 84
LYS
Atom CA of residue 2638
LYS
Atom C of residue 521
Atom CA of residue 515
Atom CA of residue 22
GLY
Atom CA of residue 5
Atom C of residue 118
Atom CB of residue 141
Atom CA of residue 501
Atom CA of residue 93
LYS
Atom N of residue 118
Atom CG2 of residue 117
Atom CA of residue 2683
Atom CB of residue 117
Atom CA of residue 232
Atom O of residue 475
Atom O of residue 117
Atom CA of residue 2682
Atom N of residue 117
Atom CA of residue 263
Atom CA of residue 46
Atom CA of residue 21
Atom CA of residue 267
Atom CD2 of residue 474
Atom CD2 of residue 116
LYS
Atom C of residue 437
Atom C of residue 61
Atom CA of residue 538
Atom CG of residue 116
Atom CA of residue 44
Atom O of residue 116
GLU
Atom CA of residue 116
LEU
SER
Atom NH1 of residue 115
Atom CZ of residue 115
Atom CD of residue 115
Atom CG of residue 115
Atom CA of residue 128
Atom CA of residue 546
Atom CB of residue 115
Atom C of residue 115
Atom C of residue 99
Atom NE of residue 114
Atom CA of residue 452
Atom C of residue 516
ILE
Atom CA of residue 251
Atom CB of residue 114
Atom CA of residue 2664
Atom CA of residue 153
Atom CA of residue 2635
ALA
Atom O of residue 114
Atom OG of residue 504
LEU
THR
PHE
Atom N of residue 113
Atom CA of residue 2666
Atom CG2 of residue 514
Atom CA of residue 149
Atom CA of residue 524
Atom CB of residue 514
Atom CA of residue 241
Atom CB of residue 112
Atom O of residue 514
Atom O of residue 112
Atom CA of residue 514
Atom CA of residue 112
THR
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CG1 of residue 96
Atom CB of residue 20
VAL
Atom OE1 of residue 111
GLU
Atom CA of residue 555
Atom CA of residue 71
SER
Atom N of residue 111
Atom CA of residue 490
Atom OD2 of residue 110
Atom CA of residue 71
Atom CA of residue 2646
Atom O of residue 577
Atom CA of residue 584
Atom CE1 of residue 512
TYR
Atom OD1 of residue 110
Atom CB of residue 110
Atom N of residue 480
GLN
Atom CG of residue 512
Atom O of residue 110
Atom CA of residue 325
Atom CD of residue 105
Atom NZ of residue 96
Atom O of residue 28
Atom CA of residue 183
ASP
Atom CA of residue 94
Atom N of residue 110
Atom OG of residue 109
Atom CA of residue 109
Atom CD2 of residue 575
GLY
Atom CA of residue 2633
VAL
Atom CA of residue 452
Atom CE of residue 108
GLY
Atom CA of residue 26
LEU
Atom CB of residue 108
Atom O of residue 108
ASP
Atom CA of residue 52
Atom CG of residue 510
Atom C of residue 108
Atom CA of residue 108
Atom C of residue 510
Atom N of residue 108
LEU
Atom CG1 of residue 107
Atom CB of residue 509
Atom C of residue 107
Atom CA of residue 107
Atom CA of residue 91
VAL
ILE
Atom NE2 of residue 106
LYS
Atom CA of residue 132
Atom CA of residue 40
Atom CE1 of residue 106
Atom CA of residue 55
Atom CA of residue 574
Atom CA of residue 131
Atom CA of residue 471
Atom CD2 of residue 106
Atom ND1 of residue 106
ARG
Atom CG of residue 106
Atom CB of residue 106
TRP
SER
MET
Atom CA of residue 150
PRO
ALA
Atom O of residue 106
TYR
Atom CA of residue 11
Atom CA of residue 164
LEU
Atom CA of residue 106
python stream rigid body
Atom OE1 of residue 105
Atom CA of residue 461
Atom N of residue 105
Atom CA of residue 347
Atom CD2 of residue 4
THR
Atom CZ of residue 87
Atom CH2 of residue 104
Atom CZ3 of residue 104
ILE
Atom CG of residue 507
Atom CA of residue 103
Atom CA of residue 458
Atom CA of residue 95
Atom CD1 of residue 104
PRO
Atom CA of residue 94
Atom CG of residue 104
Atom CB of residue 104
TYR
Atom O of residue 104
Atom CE2 of residue 77
Atom CA of residue 192
GLY
Atom CA of residue 104
GLU
Atom CA of residue 479
Atom CA of residue 195
TRP
Atom NH2 of residue 103
Atom CZ of residue 103
VAL
Atom NE of residue 103
Atom CA of residue 457
Atom CA of residue 103
ASP
Atom C of residue 146
Atom CA of residue 398
LYS
Atom CA of residue 182
Atom N of residue 457
Atom CA of residue 106
Atom NH2 of residue 33
Atom CA of residue 67
Atom CA of residue 186
Atom CG of residue 102
Atom CG of residue 84
Atom CB of residue 102
LYS
Atom CB of residue 84
Atom O of residue 102
Atom CB of residue 569
Atom O of residue 84
Atom C of residue 102
Atom CA of residue 138
ASP
Atom N of residue 99
Atom OE2 of residue 145
Model 44
Atom OE1 of residue 100
Atom OE1 of residue 145
Atom CD of residue 100
Atom CG of residue 145
Atom CB of residue 100
Atom O of residue 145
LYS
Atom C of residue 100
Atom CA of residue 100
GLU
Atom CA of residue 100
Atom CA of residue 332
Atom OH of residue 144
Atom OD1 of residue 99
Atom CG of residue 99
ASP
Fit restraint scratch map
Atom CE1 of residue 98
Atom CA of residue 491
TYR
THR
Atom ND1 of residue 98
Atom CA of residue 166
Atom CG of residue 98
Atom CB of residue 98
Atom CD of residue 143
LYS
Atom C of residue 98
Atom CG of residue 143
PRO
Atom CA of residue 118
Atom CA of residue 98
Atom N of residue 98
Atom O of residue 80
Atom CG2 of residue 97
Atom CA of residue 522
GLU
Atom CB of residue 97
PHE
Atom N of residue 143
Atom O of residue 97
Atom CA of residue 135
ASN
Atom CA of residue 92
Atom CA of residue 441
Atom CG1 of residue 142
Atom CA of residue 97
LEU
Atom N of residue 97
Atom CD1 of residue 94
Atom CA of residue 69
Atom CE of residue 96
Atom O of residue 94
Atom CA of residue 156
Atom CG of residue 96
LEU
PHE
Atom CA of residue 83
Atom CA of residue 157
Atom CA of residue 68
Atom C of residue 94
Atom CB of residue 96
Atom CE1 of residue 137
Atom CA of residue 156
Atom O of residue 96
Atom CD2 of residue 137
PHE
Atom CA of residue 155
Atom CZ of residue 141
MET
Atom C of residue 96
Atom CA of residue 108
Atom CA of residue 96
VAL
LYS
Atom N of residue 96
Atom C of residue 470
GLN
Atom CA of residue 151
Atom O of residue 78
Atom ND2 of residue 95
Atom OD1 of residue 95
ALA
CYS
Atom CG of residue 95
GLU
Atom CB of residue 95
Atom N of residue 141
Atom C of residue 95
Atom CA of residue 95
TYR
Atom N of residue 95
Atom O of residue 41
ALA
ASN
Atom CG1 of residue 94
ASN
Atom OD1 of residue 495
Atom C of residue 94
Atom OG1 of residue 135
Atom CA of residue 136
ILE
Atom CA of residue 94
Atom CA of residue 275
ILE
Atom CA of residue 79
Atom OD2 of residue 93
Atom C of residue 40
ASP
Atom CZ of residue 147
Atom CG of residue 93
Atom CG2 of residue 494
Atom CA of residue 42
Atom CE of residue 146
Atom O of residue 93
Atom CA of residue 41
Atom C of residue 48
Atom CA of residue 92
Atom C of residue 93
VAL
Atom CA of residue 93
LEU
ASP
Atom CD2 of residue 92
Atom CD1 of residue 92
ASN
Atom O of residue 92
ARG
Atom CA of residue 102
Atom CZ of residue 137
Atom O of residue 10
GLU
Atom CB of residue 9
TYR
Atom CA of residue 277
ASP
Atom CA of residue 68
Atom N of residue 92
TYR
Atom CA of residue 5
VAL
Atom O of residue 91
Atom CA of residue 154
Atom C of residue 91
Atom CA of residue 91
Atom CB of residue 49
Atom CA of residue 241
Atom CG2 of residue 90
Atom N of residue 22
ALA
Atom CA of residue 74
Atom CG1 of residue 90
ILE
TYR
Atom CB of residue 90
LEU
Atom N of residue 90
MET
Atom CG2 of residue 89
Atom C of residue 88
Atom CA of residue 84
ASP
Atom CG of residue 81
Atom CA of residue 82
Atom CA of residue 137
Atom CG2 of residue 87
Atom OG1 of residue 87
Atom CA of residue 64
Atom CA of residue 579
Atom CA of residue 2643
Atom O of residue 87
Atom CA of residue 212
CYS
Writer to fast_temp_000.pdb
Atom CA of residue 149
TYR
GLN
ALA
Atom CA of residue 81
Atom C of residue 87
Atom CA of residue 148
GLU
THR
PRO
Atom CA of residue 80
Atom O of residue 86
Atom C of residue 86
Atom CA of residue 54
Atom CA of residue 86
Atom CA of residue 109
LEU
Atom CA of residue 293
GLN
ARG
ALA
ASN
Atom O of residue 85
Atom O of residue 78
Atom CZ of residue 84
Atom C of residue 78
Atom NE of residue 84
Atom CD of residue 84
SER
Atom CG of residue 84
Atom CA of residue 583
Atom CB of residue 10
LYS
TYR
Atom O of residue 84
Atom CA of residue 586
VAL
Atom C of residue 84
ILE
ILE
THR
Atom CA of residue 84
SER
TRP
Atom CA of residue 24
CYS
Atom CA of residue 564
Atom N of residue 84
Atom CA of residue 439
ASN
Atom N of residue 130
Atom CA of residue 99
Atom C of residue 83
GLU
ALA
Atom O of residue 82
AccumulateRigidBodyDerivatives8
Atom CA of residue 114
Atom CB of residue 128
Atom N of residue 82
Atom CA of residue 553
Atom CD1 of residue 81
Atom CG of residue 81
THR
Atom CB of residue 81
Atom CA of residue 122
Atom O of residue 81
Atom CA of residue 561
ASN
Atom CZ of residue 80
Atom CA of residue 43
Atom CA of residue 193
ILE
Atom CA of residue 66
Atom CG of residue 80
rigid bodies list
Atom CA of residue 42
Atom CB of residue 80
Atom CA of residue 26
ARG
Atom CA of residue 104
LYS
ASP
Atom CA of residue 80
Atom CA of residue 25
Atom CA of residue 103
ARG
Atom NE2 of residue 79
Atom CD2 of residue 79
LYS
Atom CG of residue 79
PRO
VAL
Atom N of residue 75
PHE
GLY
LEU
Atom C of residue 79
Atom CA of residue 79
Atom CD2 of residue 480
Atom CA of residue 137
Atom N of residue 102
LEU
LEU
HIS
Atom CA of residue 2693
HIS
ALA
Atom C of residue 74
GLY
Atom CB of residue 146
Atom CE of residue 78
SER
LYS
Atom CA of residue 556
THR
Atom CB of residue 78
Atom N of residue 78
Atom CB of residue 70
Atom NH1 of residue 77
VAL
Atom CZ of residue 77
Atom CD of residue 77
GLY
VAL
Atom CA of residue 149
VAL
Atom CA of residue 78
Atom CA of residue 26
Atom CB of residue 77
Atom CA of residue 266
PRO
Atom O of residue 77
ARG
Atom CG of residue 465
Atom CA of residue 48
VAL
Atom CA of residue 547
Atom N of residue 77
Atom CA of residue 496
Atom CA of residue 482
LYS
Atom CE of residue 76
Atom CA of residue 4
Atom CB of residue 76
Atom O of residue 76
Atom C of residue 76
VAL
ARG
MET
Atom CA of residue 76
ASN
Atom CB of residue 481
MET
SER
Atom CG2 of residue 75
Atom CG1 of residue 75
Atom CA of residue 146
Atom CA of residue 75
Atom O of residue 75
LEU
Atom O of residue 74
Atom CA of residue 512
Atom N of residue 74
Atom N of residue 69
Atom NE2 of residue 11
Atom OG1 of residue 73
Atom O of residue 66
THR
Atom CA of residue 353
Atom C of residue 9
GLN
Atom CG of residue 59
Atom CG1 of residue 479
Atom O of residue 73
PRO
Atom NH2 of residue 27
Atom CG of residue 536
Atom CA of residue 525
Atom CA of residue 7
GLU
Atom CD of residue 36
TYR
Atom C of residue 66
Atom CA of residue 329
ASN
Atom CA of residue 532
LYS
Atom CA of residue 521
Atom C of residue 73
PHE
Atom CA of residue 520
THR
Atom N of residue 67
Atom CG of residue 54
THR
LYS
Atom O of residue 72
Atom C of residue 58
Atom C of residue 478
Atom CA of residue 39
Atom N of residue 72
THR
Atom CD2 of residue 473
SER
Atom CA of residue 64
SER
Atom CD1 of residue 71
Atom N of residue 58
SER
Atom CG of residue 71
Atom CG of residue 473
Atom N of residue 65
Atom CB of residue 57
Atom OG of residue 477
Atom O of residue 81
Atom CZ of residue 68
Atom CA of residue 502
Atom CB of residue 71
GLY
Atom N of residue 71
Atom CB of residue 472
Atom OG1 of residue 70
Atom CA of residue 532
LYS
Atom C of residue 58
LYS
Atom CB of residue 56
Atom CG1 of residue 476
Atom CB of residue 70
Atom CA of residue 23
Atom C of residue 472
Atom CA of residue 119
Atom CB of residue 476
Atom O of residue 70
Atom CD1 of residue 119
Atom N of residue 34
Atom CA of residue 582
PRO
Atom CA of residue 56
Atom CB of residue 80
Atom N of residue 68
Atom CA of residue 70
Atom CA of residue 65
Atom N of residue 56
VAL
ILE
ILE
Atom CA of residue 29
Atom CA of residue 2655
Atom CG2 of residue 55
Atom CA of residue 111
VAL
Atom CA of residue 507
Atom CB of residue 122
Atom NH2 of residue 69
Atom O of residue 55
Atom CD of residue 475
SER
Atom C of residue 55
GLU
Atom CD of residue 69
Atom CA of residue 2648
Atom CA of residue 92
Atom CB of residue 475
Atom CD2 of residue 79
TYR
ASP
Atom CG of residue 69
Atom CB of residue 54
Atom N of residue 475
Atom CA of residue 110
ARG
Atom CA of residue 130
Atom O of residue 54
Atom N of residue 69
Atom N of residue 18
Atom CA of residue 499
Atom CB of residue 4
GLN
ARG
LEU
Atom C of residue 54
Atom CD1 of residue 116
Atom CD1 of residue 474
Atom CA of residue 121
Atom O of residue 68
Atom CA of residue 97
Atom CA of residue 573
PRO
LEU
ASP
Atom CB of residue 474
ASP
Atom CD2 of residue 62
Atom CA of residue 31
Atom CA of residue 68
Atom CG of residue 88
Atom CA of residue 40
SER
LYS
Atom CA of residue 330
Atom CB of residue 63
Atom CB of residue 27
Atom N of residue 54
Atom CG1 of residue 109
Atom CA of residue 25
GLY
SER
Atom C of residue 469
Atom CA of residue 63
Atom CA of residue 27
Atom CG of residue 53
LEU
Atom CA of residue 5
THR
Atom CA of residue 537
Atom CA of residue 497
Atom OG1 of residue 67
PHE
Atom CA of residue 62
Atom CA of residue 562
VAL
Atom C of residue 53
THR
Atom CA of residue 53
Atom CA of residue 77
DensityMap15
Atom CE1 of residue 473
SER
Atom CA of residue 128
Atom CA of residue 67
Atom CG of residue 62
Atom CG of residue 26
LEU
Atom OG1 of residue 108
THR
Atom CG of residue 66
Atom CA of residue 114
ALA
GLU
Atom CA of residue 503
Atom C of residue 66
PHE
Atom CA of residue 124
Atom CA of residue 225
ILE
Atom N of residue 57
Atom CA of residue 66
SER
Atom CA of residue 224
THR
Atom CA of residue 502
PRO
Atom CB of residue 25
Atom CG of residue 51
Atom CB of residue 7
Atom CA of residue 88
Atom CG1 of residue 107
Atom N of residue 66
Atom O of residue 544
Atom CA of residue 110
Atom CG2 of residue 65
LYS
GLY
Atom CG of residue 32
ARG
Atom CB of residue 65
Atom N of residue 48
Atom CA of residue 19
Atom CA of residue 137
Atom O of residue 106
Atom N of residue 65
Atom CE2 of residue 87
Atom SD of residue 64
Atom CA of residue 157
PRO
Atom CA of residue 138
PRO
SER
Atom CA of residue 57
Atom CB of residue 50
Atom O of residue 64
Atom N of residue 64
Atom CG1 of residue 4
Atom CA of residue 6
Atom CA of residue 42
Atom OE1 of residue 49
Atom CD of residue 63
Atom CG2 of residue 469
Atom CA of residue 498
ILE
Atom CG of residue 63
PRO
Atom CA of residue 58
Atom O of residue 49
GLN
Atom CB of residue 104
Atom N of residue 63
Atom CE of residue 48
Atom CA of residue 309
Atom C of residue 104
Atom CA of residue 77
Atom CD1 of residue 62
LEU
Atom CA of residue 61
Atom N of residue 62
Atom OG of residue 61
ASP
UpdateRigidBodyMembers8
Atom CA of residue 151
Atom N of residue 25
Atom CG of residue 21
Atom C of residue 61
ILE
Atom N of residue 539
Atom CA of residue 19
Atom CE2 of residue 64
Fit restraint
VAL
Atom NH1 of residue 60
Atom CE of residue 59
Atom CB of residue 563
VAL
Atom CZ of residue 60
Atom OD2 of residue 136
GLU
Atom CD of residue 59
Atom O of residue 563
Atom NE of residue 60
Atom CB of residue 136
Atom O of residue 59
1z5s.pdb rigid body
PRO
SER
Atom CB of residue 60
Atom O of residue 136
Atom C of residue 59
Atom O of residue 60
Atom OG1 of residue 436
Atom CA of residue 452
THR
Atom CA of residue 47
Atom C of residue 136
GLU
Atom O of residue 44
ARG
Atom C of residue 60
ILE
Atom CA of residue 136
LEU
Atom CA of residue 63
Atom CA of residue 60
Atom CA of residue 46
ASP
Atom N of residue 59
Atom CE1 of residue 562
Atom CA of residue 32
Atom N of residue 50
LEU
ARG
Atom CA of residue 531
Atom N of residue 436
LEU
Atom N of residue 44
Atom CG of residue 135
Atom CD2 of residue 58
Atom CB of residue 562
Atom CG of residue 59
VAL
Atom O of residue 135
Atom CA of residue 45
Atom CB of residue 135
Atom CD1 of residue 58
PRO
Atom O of residue 562
Atom CB of residue 59
Atom C of residue 562
Atom O of residue 59
Atom OG of residue 95
GLN
Atom CA of residue 32
Atom O of residue 58
SER
Atom N of residue 135
Atom N of residue 59
ALA
PHE
Atom O of residue 561
Atom OG of residue 58
Atom CA of residue 567
Atom N of residue 58
Atom C of residue 561
THR
ALA
Atom CB of residue 58
SER
Atom CA of residue 41
Atom CD1 of residue 57
Atom C of residue 58
GLU
LYS
Atom CG of residue 57
Atom CA of residue 183
Atom CA of residue 58
ASP
PHE
ASP
SER
Atom N of residue 58
Atom CA of residue 485
MET
SER
Atom CG of residue 560
LYS
Atom CA of residue 22
Atom CB of residue 57
LEU
Atom CB of residue 560
Atom O of residue 57
Atom CA of residue 132
Atom C of residue 56
ASP
Atom N of residue 57
ARG
LYS
Atom CA of residue 106
Atom CG2 of residue 56
THR
Atom CA of residue 48
ALA
Atom CG1 of residue 56
Atom C of residue 56
Atom CA of residue 56
Atom N of residue 56
LEU
Atom CG1 of residue 55
Atom CB of residue 55
Atom O of residue 55
Atom CD of residue 66
Atom CA of residue 47
Atom CB of residue 54
Atom CA of residue 43
Atom C of residue 55
Atom OE2 of residue 105
ALA
GLU
Atom N of residue 129
GLN
Atom CA of residue 55
Atom CA of residue 42
VAL
Atom N of residue 55
VAL
PRO
TYR
Atom CB of residue 54
GLU
Atom CA of residue 266
Atom O of residue 54
Atom CA of residue 509
Atom N of residue 54
LEU
PRO
Atom CA of residue 502
LEU
GLN
Atom CD2 of residue 53
PRO
Atom CG of residue 53
Atom CB of residue 442
Atom CB of residue 53
Atom C of residue 53
Atom CA of residue 445
Atom CA of residue 53
GLU
Atom CD1 of residue 12
Atom CA of residue 143
Fit restraint
LEU
LEU
Atom N of residue 53
Atom CA of residue 16
Atom CA of residue 152
ASN
Atom CG of residue 555
Atom CA of residue 102
Atom O of residue 52
Atom CB of residue 555
Atom C of residue 52
Atom N of residue 40
Atom CA of residue 52
CoarseCC8
GLY
Atom N of residue 52
Atom CA of residue 535
Atom O of residue 128
Atom CA of residue 29
Atom C of residue 75
Atom OD1 of residue 51
Atom CB of residue 554
GLU
Atom CG of residue 51
LEU
Atom N of residue 75
TYR
Atom O of residue 74
Atom CA of residue 146
GLY
GLN
Atom C of residue 31
Atom C of residue 51
Atom CA of residue 94
ASP
ALA
Atom CG1 of residue 45
ALA
Atom CG2 of residue 30
Atom C of residue 147
Atom CA of residue 9
Atom CA of residue 79
Atom N of residue 51
Atom C of residue 127
PHE
VAL
Atom CB of residue 30
Atom N of residue 45
Atom NH2 of residue 50
Atom CD1 of residue 53
Atom CA of residue 66
Atom NH1 of residue 50
ASP
Atom CZ of residue 50
Atom CA of residue 235
Atom CA of residue 14
VAL
VAL
Atom OG of residue 126
Atom O of residue 73
LEU
Atom CD of residue 50
Atom CD of residue 29
Atom CA of residue 433
Atom CB of residue 49
Atom CA of residue 89
Atom O of residue 50
Atom CA of residue 553
Atom CA of residue 280
Atom O of residue 130
Atom O of residue 32
Atom CA of residue 196
ALA
Atom OE2 of residue 49
Atom CE of residue 48
Atom CD of residue 49
Atom CA of residue 64
Fit restraint
Atom CA of residue 49
Atom O of residue 551
GLU
ILE
Atom CA of residue 71
Atom C of residue 551
LYS
Atom N of residue 49
Atom CA of residue 32
PRO
Atom CG of residue 48
Atom C of residue 72
Atom CA of residue 17
Atom SD of residue 10
Atom OG of residue 453
ASP
Atom N of residue 48
Atom CA of residue 133
Atom CG1 of residue 123
Atom O of residue 46
Atom NH2 of residue 47
Atom OG1 of residue 24
Atom NH1 of residue 47
LYS
Atom CA of residue 55
Atom CA of residue 9
LYS
Atom C of residue 31
Atom O of residue 132
Atom ND1 of residue 79
Atom CG of residue 132
Atom CE1 of residue 79
Atom CG of residue 47
Atom O of residue 47
Atom CA of residue 68
Atom CA of residue 130
ARG
Atom CA of residue 520
Atom CA of residue 50
Atom O of residue 46
Atom N of residue 550
Atom CA of residue 46
LYS
Atom CG1 of residue 45
SER
HIS
Atom CB of residue 45
Atom O of residue 45
Atom CA of residue 210
Atom N of residue 140
Atom CA of residue 45
Atom CA of residue 134
Atom CA of residue 572
Atom CG2 of residue 44
GLU
ASN
ILE
Atom OG1 of residue 44
Atom CB of residue 44
Atom CA of residue 524
Atom CA of residue 513
Atom NE2 of residue 43
Atom CA of residue 80
Atom OE1 of residue 43
Atom CA of residue 508
GLU
Atom N of residue 34
Atom CD of residue 43
Atom CB of residue 432
Atom SD of residue 76
Atom CG of residue 43
GLY
Atom CA of residue 73
Atom CB of residue 43
Atom O of residue 43
Atom CD2 of residue 522
Atom CB of residue 547
Atom N of residue 547
Atom CA of residue 65
Atom CA of residue 98
Atom N of residue 42
Atom CG2 of residue 546
Atom CA of residue 49
Atom O of residue 29
Atom CA of residue 5
Atom CA of residue 287
Atom CG2 of residue 41
Atom CG1 of residue 546
SampledDensityMap82
VAL
Atom CG1 of residue 41
Atom CA of residue 41
Atom CE of residue 545
Atom CA of residue 49
ALA
Atom CG2 of residue 40
Atom CA of residue 23
Atom CA of residue 529
Atom CB of residue 545
PRO
Atom CZ of residue 29
Atom O of residue 545
PRO
Atom CB of residue 156
Atom CA of residue 113
Atom CA of residue 40
ARG
Atom CD2 of residue 519
Atom O of residue 21
Atom CA of residue 39
Atom N of residue 494
ASP
Atom CG of residue 29
THR
Atom N of residue 545
Atom CG of residue 63
Atom CA of residue 26
ALA
Atom CG of residue 39
Atom CE1 of residue 544
Atom N of residue 156
Atom CA of residue 39
Chain C
Atom O of residue 38
Atom C of residue 38
Atom CD2 of residue 11
TYR
GLY
Atom N of residue 518
Atom CB of residue 11
Atom CA of residue 4
Atom O of residue 37
GLU
Atom N of residue 463
Atom N of residue 123
ALA
SER
Atom CA of residue 64
Atom OE1 of residue 36
ASP
GLN
Atom O of residue 36
Atom CA of residue 279
Atom CA of residue 280
GLN
Atom C of residue 36
ALA
Atom CA of residue 29
Atom N of residue 36
Atom CA of residue 23
Atom CA of residue 134
Atom CA of residue 26
Atom NE2 of residue 460
Atom CA of residue 57
Atom CG2 of residue 67
Atom CD2 of residue 34
Atom CA of residue 121
GLN
Atom C of residue 9
Atom CA of residue 2657
LEU
Atom OD2 of residue 19
ALA
Atom CA of residue 37
Atom CA of residue 2656
THR
Atom CA of residue 36
Atom CD2 of residue 119
LEU
Atom NH1 of residue 33
LEU
Atom N of residue 16
Atom CA of residue 496
Atom CD2 of residue 135
THR
LEU
ASP
Atom CB of residue 487
Atom N of residue 33
HIS
LEU
GLY
Atom CA of residue 271
GLY
LEU
Atom C of residue 519
Atom CA of residue 228
Atom CB of residue 32
Atom CA of residue 32
Atom CA of residue 256
MET
PRO
Atom CB of residue 31
ILE
ALA
Atom N of residue 31
ALA
Atom CD of residue 131
Atom O of residue 30
VAL
PRO
Atom N of residue 7
Atom CA of residue 479
Atom CA of residue 570
CYS
GLU
MET
Atom N of residue 21
Atom NH2 of residue 29
Atom CA of residue 51
Atom OD1 of residue 567
TYR
Atom CA of residue 249
Atom N of residue 131
Atom CZ of residue 29
Atom NE of residue 29
Atom CA of residue 567
Atom CE1 of residue 87
GLU
Atom CA of residue 578
Atom CA of residue 2656
LEU
Atom OD1 of residue 130
Atom CD of residue 29
LYS
Atom CA of residue 558
Atom CG of residue 130
Atom CG of residue 29
Atom N of residue 107
PRO
LYS
Atom CA of residue 345
Atom CA of residue 113
Atom CB of residue 28
LEU
Atom O of residue 28
Atom CA of residue 440
Atom CA of residue 330
Atom CA of residue 470
LYS
GLY
Atom CE1 of residue 128
Atom NE of residue 27
Atom CA of residue 39
Atom CA of residue 439
Atom CG of residue 27
Atom CA of residue 122
Atom N of residue 27
ILE
Atom CA of residue 78
Atom CG of residue 127
Atom CD2 of residue 26
GLN
ASP
THR
Atom NH2 of residue 13
P1
Atom NZ of residue 530
normalize rigid bodies
Atom CB of residue 6
Atom CA of residue 315
Atom NE2 of residue 459
Atom CD2 of residue 4
GLN
Atom CG of residue 25
Atom CG1 of residue 529
LEU
Atom O of residue 25
Atom CB of residue 529
Atom CG of residue 83
Atom CA of residue 100
Atom C of residue 25
ALA
Atom CA of residue 89
VAL
Atom NE of residue 125
Atom CG2 of residue 24
Atom CG of residue 528
Atom CA of residue 24
THR
Atom CA of residue 582
Atom N of residue 98
Atom CA of residue 2693
Atom CA of residue 31
Atom CA of residue 298
GLY
GLY
ARG
P2
Atom C of residue 22
Atom C of residue 67
ALA
LYS
GLY
PRO
Atom N of residue 22
Atom CE2 of residue 585
ASN
Atom OE2 of residue 21
ARG
Atom OE1 of residue 21
LEU
Atom CB of residue 21
Atom C of residue 112
Atom CD of residue 20
Atom O of residue 58
Atom CA of residue 2
Atom CD1 of residue 107
Atom C of residue 20
GLU
THR
Atom CA of residue 70
GLY
Atom N of residue 20
Atom CA of residue 2638
Atom CB of residue 445
Atom CA of residue 105
Atom CB of residue 12
ARG
Atom OE1 of residue 19
Atom O of residue 445
SER
Atom CD of residue 19
Atom CG of residue 19
PHE
ALA
PRO
Atom N of residue 88
Atom CA of residue 445
Atom N of residue 5
Atom CA of residue 98
Atom O of residue 59
ILE
Atom OE2 of residue 17
Atom CA of residue 441
Atom CB of residue 106
Atom O of residue 19
GLU
Atom N of residue 19
Atom CA of residue 206
Atom O of residue 18
Atom CB of residue 93
Atom CA of residue 18
Atom CA of residue 2652
Atom C of residue 85
ILE
LEU
THR
Atom CB of residue 444
Atom O of residue 5
Atom N of residue 18
Atom N of residue 121
Atom CD of residue 17
Atom CD2 of residue 120
Atom CG of residue 17
Atom CB of residue 17
Atom CA of residue 471
Atom O of residue 114
GLU
Atom CA of residue 109
Atom CA of residue 2650
Atom CD2 of residue 106
Atom OH of residue 16
Atom ND1 of residue 106
Atom CZ of residue 16
Atom O of residue 99
ASN
LEU
Atom CA of residue 564
Atom CE1 of residue 16
Atom O of residue 499
Atom CA of residue 276
MET
VAL
Atom CA of residue 541
Atom C of residue 106
Atom N of residue 111
GLU
Atom CD1 of residue 16
Atom CA of residue 59
Atom CA of residue 429
Atom CA of residue 106
Atom CG of residue 16
LEU
Atom CA of residue 245
Atom CB of residue 110
Atom C of residue 16
Atom CA of residue 481
Atom CD of residue 105
LEU
Atom CA of residue 244
TYR
Atom CA of residue 572
ARG
Atom CA of residue 47
GLU
Atom N of residue 110
Atom CG2 of residue 15
Atom CA of residue 79
ARG
Atom CG of residue 30
Atom CA of residue 527
Atom CA of residue 220
Atom CA of residue 2634
LEU
Atom CE of residue 108
Atom CG2 of residue 14
Atom CA of residue 66
THR
Atom OG1 of residue 14
Atom CD2 of residue 104
ALA
THR
Atom CA of residue 275
LYS
LYS
Atom CA of residue 234
MET
Atom CA of residue 102
Atom N of residue 14
Atom O of residue 439
Atom CA of residue 56
ALA
Atom CB of residue 107
GLY
Atom CG of residue 13
Atom CA of residue 70
Atom OD1 of residue 99
Atom C of residue 113
Atom C of residue 13
LYS
THR
Atom CA of residue 526
PHE
Atom CD2 of residue 12
Atom N of residue 116
Atom O of residue 91
Atom CB of residue 12
Atom CZ of residue 11
Atom CE1 of residue 11
Atom CA of residue 581
Atom N of residue 495
Atom CB of residue 93
Atom CA of residue 43
Atom CD1 of residue 11
VAL
Atom CA of residue 42
Atom CG of residue 11
LEU
Atom CD2 of residue 517
Atom O of residue 11
Atom CA of residue 288
Atom O of residue 111
Atom CA of residue 518
Atom CG of residue 111
ASN
ALA
Atom CG2 of residue 109
Atom CA of residue 190
SER
ALA
Atom CA of residue 11
ASN
Atom CA of residue 479
Atom C of residue 10
Atom NH2 of residue 114
Atom OE1 of residue 99
MET
ARG
Atom CB of residue 10
TRP
GLU
Atom CA of residue 10
Atom NE1 of residue 41
Atom CA of residue 513
GLU
MET
Atom N of residue 10
Atom C of residue 101
Atom OE2 of residue 9
Atom OE1 of residue 9
Atom NE of residue 13
GLY
Atom CA of residue 573
GLU
LEU
Atom CD of residue 9
Atom CD of residue 577
Atom CA of residue 2642
Atom CA of residue 249
PRO
Atom CA of residue 100
Atom N of residue 64
Atom CA of residue 38
LEU
Atom CG of residue 9
Atom CZ of residue 512
Atom N of residue 58
Atom CA of residue 433
Atom O of residue 9
Atom CA of residue 494
Atom O of residue 97
Atom C of residue 89
Atom C of residue 9
Atom CA of residue 9
LEU
Atom CA of residue 152
Atom CG of residue 98
Atom C of residue 8
HIS
Atom CA of residue 559
Atom CA of residue 8
Atom C of residue 100
Atom OG1 of residue 7
Atom CA of residue 92
MET
Atom CB of residue 125
GLU
Atom O of residue 154
mol2 rigid body
THR
Atom CA of residue 68
Atom CG2 of residue 107
Atom CA of residue 445
Atom C of residue 6
Atom O of residue 25
GLY
THR
Atom CA of residue 6
Atom CD2 of residue 103
Atom CA of residue 5
VAL
HIS
Atom CB of residue 4
Atom CG of residue 483
Atom O of residue 123
ALA
ASP
Atom N of residue 72
Atom CA of residue 350
ARG
ALA
Atom O of residue 4
GLY
Atom C of residue 4
Atom CA of residue 480
Atom CA of residue 49
Atom O of residue 150
Chain  
Atom N of residue 4
Atom CA of residue 142
ConjugateGradients
PRO
P2
MET
GLN
LEU
GLU
ARG
ASP
Atom NH1 of residue 13
Model 25
ConjugateGradients
LYS
Atom CA of residue 54
Atom CA of residue 445
ILE
Atom CG2 of residue 490
Atom CA of residue 151
TYR
Atom CA of residue 117
ASP
ARG
GLU
Atom CA of residue 521
MET
ALA
Atom N of residue 513
Atom CB of residue 9
Model 24
SampledDensityMap32
Atom CA of residue 269
CYS
Fit restraint
Atom CA of residue 11
Atom CA of residue 51
Atom O of residue 45
P0
Model 23
Atom CB of residue 39
Fit restraint
Atom CA of residue 114
LYS
Model 22
Fit restraint scratch map
GLU
SampledDensityMap25
Fit restraint
GLU
P2
Model 20
VAL
Atom CA of residue 97
Fit restraint scratch map
Atom OD1 of residue 110
Atom CZ of residue 114
ASP
Atom CG1 of residue 123
Atom CA of residue 61
Atom CG2 of residue 461
Atom O of residue 115
xxx.em
Atom CA of residue 2660
Atom O of residue 22
GLY
LEU
Atom CA of residue 533
ALA
Atom CA of residue 24
Atom CB of residue 556
Atom CD1 of residue 53
Atom CB of residue 585
Atom CA of residue 35
Model 19
Atom C of residue 85
Atom C of residue 103
ASP
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.em
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
Atom CA of residue 134
GLU
Atom CA of residue 126
Atom CA of residue 11
Atom O of residue 56
ASN
LYS
Atom C of residue 18
Atom N of residue 26
Atom CA of residue 475
SER
Atom N of residue 92
VAL
Atom CA of residue 141
Atom CA of residue 557
ASP
Atom CA of residue 72
TYR
LEU
Atom CA of residue 459
ILE
Atom C of residue 487
ARG
Atom CA of residue 125
VAL
GLN
Atom CA of residue 453
Atom CA of residue 154
GLU
HIS
ARG
PRO
Atom CA of residue 453
LYS
Chain  
Atom CA of residue 113
GLU
THR
Atom CA of residue 65
PHE
Atom CA of residue 117
ASN
Atom CA of residue 81
Atom OD1 of residue 6
LEU
Atom CA of residue 60
LEU
ARG
Atom CA of residue 17
Atom CA of residue 47
Atom CA of residue 484
Atom CG of residue 147
Atom CA of residue 349
Atom CA of residue 117
Atom CA of residue 124
Atom CA of residue 79
Atom OD1 of residue 85
CYS
PRO
Atom C of residue 20
Atom O of residue 7
LEU
Atom CA of residue 28
Atom CA of residue 489
ILE
Atom CA of residue 10
Atom CB of residue 128
Atom CA of residue 139
Atom CA of residue 71
Atom CA of residue 138
Atom CA of residue 70
Atom CA of residue 134
ARG
LYS
GLU
Atom CA of residue 87
VAL
Atom CA of residue 96
Atom CD of residue 111
Atom CB of residue 109
Atom CG of residue 12
Atom CA of residue 149
GLN
Atom OD1 of residue 127
Atom CA of residue 130
Atom CA of residue 56
Atom CA of residue 129
GLU
GLN
ASP
Atom CA of residue 126
Atom CA of residue 4
ILE
ARG
Atom CA of residue 124
Atom N of residue 83
Atom OD2 of residue 102
Atom CA of residue 132
PRO
MET
Atom CA of residue 123
Atom NH2 of residue 84
ARG
Atom CA of residue 94
Atom NH1 of residue 84
SER
Atom CA of residue 121
ASN
GLU
Atom CD1 of residue 125
Atom CA of residue 75
Atom CA of residue 2630
Atom CA of residue 120
Atom CA of residue 74
LEU
GLY
Atom CA of residue 119
PRO
Atom CB of residue 84
ARG
LEU
Atom CA of residue 116
GLY
Atom CB of residue 81
Atom CA of residue 99
DensityMap18
Atom O of residue 100
Atom CA of residue 98
GLN
LEU
Atom CA of residue 6
Atom CA of residue 97
Atom CA of residue 96
MET
Atom CA of residue 17
ALA
Atom CA of residue 36
CYS
Atom CA of residue 93
VAL
ALA
Atom CA of residue 405
Atom CA of residue 92
Atom CA of residue 532
ALA
PRO
ARG
ARG
TYR
Atom CA of residue 125
Atom CA of residue 36
Atom CA of residue 68
Atom CA of residue 144
Atom CA of residue 107
ASP
Atom CB of residue 530
Atom C of residue 26
GLU
THR
Atom CA of residue 65
LEU
Atom CA of residue 77
Atom CA of residue 80
Atom CD of residue 141
PRO
Atom CA of residue 64
THR
Atom CA of residue 22
Atom CA of residue 63
Atom CG of residue 68
MET
LEU
Atom CA of residue 62
LYS
Atom CA of residue 61
Atom CA of residue 60
SER
Atom CA of residue 380
Atom CA of residue 59
Atom OD1 of residue 95
LEU
Atom CG of residue 95
GLN
Atom CA of residue 196
Atom CA of residue 58
LEU
Atom CA of residue 60
Atom CA of residue 512
Atom CB of residue 74
Atom CA of residue 57
Atom CA of residue 254
ARG
ALA
Atom CA of residue 536
GLY
Atom CB of residue 101
GLU
TRP
Atom CA of residue 53
PRO
Atom O of residue 69
Atom CA of residue 52
THR
Atom CA of residue 51
Atom O of residue 77
Atom CA of residue 58
Atom CA of residue 82
Atom CB of residue 69
Atom CA of residue 49
LEU
Atom CA of residue 526
Atom CA of residue 2661
GLU
SER
TYR
GLY
GLY
Atom CA of residue 575
Atom CG of residue 14
GLY
Atom CA of residue 2660
Atom CA of residue 47
Atom N of residue 486
Atom CA of residue 214
Atom CA of residue 93
CYS
PRO
ILE
Atom CA of residue 2659
Atom CA of residue 242
PRO
THR
Atom CA of residue 12
Atom CA of residue 46
ARG
Atom CA of residue 213
PHE
Atom CA of residue 246
ILE
Atom CA of residue 570
TYR
Atom CA of residue 42
Atom C of residue 580
ALA
PRO
Atom CA of residue 41
THR
AccumulateRigidBodyDerivatives20
Atom CA of residue 506
THR
Atom CZ of residue 473
GLU
Atom CA of residue 113
Atom O of residue 67
ASP
LEU
GLN
Atom CA of residue 26
ARG
Atom CA of residue 58
Atom CA of residue 129
ASP
GLY
Atom CA of residue 142
PRO
Atom CA of residue 140
AccumulateRigidBodyDerivatives17
LYS
PRO
Atom CD2 of residue 97
Atom CA of residue 28
ALA
Atom CA of residue 147
Atom CA of residue 573
LYS
Atom CA of residue 2
Atom CA of residue 20
VAL
Atom C of residue 514
Atom CD1 of residue 136
Atom CA of residue 118
ARG
Atom C of residue 12
ASP
Atom CA of residue 42
Atom CA of residue 113
SER
ARG
ALA
Atom CA of residue 146
Atom CA of residue 562
LEU
Atom O of residue 473
Atom CG of residue 94
Atom CA of residue 10
THR
Atom CA of residue 139
ASP
Atom CA of residue 263
LEU
Atom CA of residue 575
Atom CA of residue 7
LEU
Atom CA of residue 99
Atom CA of residue 63
Atom CB of residue 20
TYR
Atom CA of residue 264
ALA
ALA
Atom O of residue 6
Atom CA of residue 36
Atom CA of residue 107
GLU
ILE
Atom CE of residue 524
Atom CG2 of residue 112
LYS
ASP
Chain A
ARG
Atom CA of residue 118
MET
Atom CA of residue 2
Atom OG of residue 42
Atom CA of residue 119
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
THR
PRO
Model 13
Atom CA of residue 115
Atom OD1 of residue 40
Atom CA of residue 73
python stream rigid body
Atom OE1 of residue 12
python stream rigid body rigid body positions
Atom CE of residue 154
LYS
SER
Atom CG of residue 36
VAL
Atom CB of residue 93
Atom CA of residue 107
python stream rigid body rigid body positions
Atom C of residue 63
SER
Atom N of residue 106
Atom CA of residue 75
Atom N of residue 9
NormalizeRotation2
LYS
Atom CG of residue 78
MET
ASP
LEU
TYR
Atom CA of residue 63
Atom O of residue 566
Atom CA of residue 62
LYS
ASP
Atom CA of residue 60
ASN
Atom N of residue 115
ARG
Atom CA of residue 59
VAL
Atom CA of residue 30
ALA
Atom O of residue 564
LEU
PHE
ASP
GLY
ARG
Atom CZ of residue 141
Atom CA of residue 67
PHE
LEU
Atom CA of residue 296
Atom CA of residue 2684
Atom CA of residue 66
PHE
LEU
ASP
Atom CA of residue 2683
Atom CA of residue 65
LYS
GLU
Atom CA of residue 64
ILE
GLU
GLU
Atom CA of residue 63
ALA
PRO
Atom CA of residue 106
GLU
GLU
mol0 rigid body
Atom CA of residue 89
SER
Atom CA of residue 62
Atom CZ of residue 8
ASN
Atom CA of residue 105
GLU
GLN
Atom CB of residue 29
Atom CA of residue 85
PRO
Atom CA of residue 2669
PRO
ALA
SER
Atom CA of residue 527
Atom CA of residue 60
Atom CG of residue 562
Atom CA of residue 223
Atom CZ of residue 487
SER
Atom CA of residue 222
Atom CA of residue 140
Atom CA of residue 58
Atom CD of residue 8
Atom C of residue 513
Atom CA of residue 25
LEU
Atom CA of residue 56
Atom O of residue 15
Atom CA of residue 56
ASP
ARG
SER
Atom CA of residue 481
Atom CA of residue 32
Atom CA of residue 445
Atom CA of residue 2662
LYS
Atom CA of residue 460
GLU
LYS
Atom CA of residue 45
Atom CG2 of residue 485
Atom CA of residue 2658
Atom CD1 of residue 559
Atom CD1 of residue 92
Atom CG of residue 559
SER
LYS
Atom CG of residue 92
Atom N of residue 122
Atom CA of residue 73
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CG2 of residue 70
Atom CA of residue 47
Chain D
Atom CA of residue 2656
Atom CA of residue 432
VAL
LEU
Atom CA of residue 2655
Atom CB of residue 480
Atom CA of residue 97
Atom C of residue 82
GLY
ARG
Atom CA of residue 2654
PHE
LEU
GLU
Atom CA of residue 2653
Atom O of residue 27
Atom CD2 of residue 53
ILE
LYS
ARG
Atom N of residue 90
Atom CA of residue 2646
Atom CA of residue 31
Atom C of residue 557
Atom CA of residue 2645
ASN
PRO
Atom CA of residue 47
Atom CA of residue 127
Atom CB of residue 26
Atom N of residue 53
Atom CB of residue 108
Atom CA of residue 96
ARG
Atom CA of residue 438
Atom CA of residue 148
LEU
python stream rigid body
VAL
Atom NZ of residue 110
LEU
GLU
Atom CA of residue 11
Atom C of residue 152
LEU
ARG
Atom CA of residue 54
Atom CA of residue 55
ASN
ALA
Atom CA of residue 487
GLU
Atom CA of residue 119
Atom CA of residue 258
TRP
ILE
Atom CA of residue 116
THR
Atom CA of residue 55
GLU
Atom CA of residue 115
ASN
Atom CA of residue 2630
VAL
Atom CA of residue 258
Atom O of residue 473
Atom C of residue 57
Atom O of residue 477
Atom C of residue 71
Atom CA of residue 107
LYS
Atom CE1 of residue 64
Atom CD1 of residue 94
Atom CA of residue 57
Atom CD2 of residue 68
Atom CA of residue 71
Atom CB of residue 54
Atom CA of residue 500
Atom CA of residue 585
LEU
LYS
PRO
GLN
Atom CA of residue 30
THR
Atom CA of residue 583
Atom CD2 of residue 82
Atom CA of residue 582
Atom C of residue 131
Atom CA of residue 58
LEU
Atom CA of residue 131
Atom CA of residue 581
GLY
Atom C of residue 538
THR
Atom CA of residue 580
Atom NH1 of residue 69
SER
Atom CA of residue 587
ALA
Atom CB of residue 69
MapReaderWriter27
Atom CA of residue 582
TYR
ARG
Atom CA of residue 104
Atom CA of residue 60
Atom CA of residue 98
Atom CA of residue 17
ASN
LEU
ALA
Atom N of residue 81
Atom NE of residue 27
Atom C of residue 522
Atom CA of residue 60
Atom CA of residue 132
Atom CA of residue 572
LYS
VAL
Atom CA of residue 63
Atom CB of residue 27
LEU
Atom CA of residue 59
Atom CA of residue 45
Atom CG2 of residue 67
Atom CA of residue 71
CYS
LYS
Atom O of residue 53
Atom CA of residue 569
LEU
Atom CA of residue 2647
SER
Atom CA of residue 568
Atom CA of residue 573
PHE
Atom CA of residue 577
ASN
ASN
Atom CA of residue 567
Atom CA of residue 38
Atom C of residue 55
Atom CA of residue 141
Atom CA of residue 567
Atom N of residue 27
Atom CA of residue 103
Atom CA of residue 566
PRO
LYS
Atom CG of residue 139
Atom CA of residue 2
LYS
Atom CA of residue 31
Atom CG1 of residue 132
Atom CA of residue 566
ALA
Atom CA of residue 101
Atom CA of residue 565
LYS
GLN
Atom CA of residue 563
Atom CA of residue 81
ALA
Atom CA of residue 30
HIS
Atom CA of residue 104
GLU
Atom CA of residue 559
Atom OE1 of residue 49
Atom CA of residue 29
ASN
Atom CA of residue 103
ILE
THR
Atom OD1 of residue 37
Atom CA of residue 60
Atom CB of residue 62
HIS
GLY
Atom CA of residue 558
Atom CA of residue 69
Atom CA of residue 124
Atom CA of residue 73
Atom CA of residue 556
Atom N of residue 55
LEU
Atom CA of residue 557
ALA
Atom CA of residue 555
LYS
Atom CA of residue 556
Atom CA of residue 283
LEU
Atom CA of residue 18
Atom CA of residue 554
GLY
Atom CA of residue 531
LEU
ARG
Atom CA of residue 280
PRO
Atom O of residue 11
Atom CA of residue 530
TYR
Atom CA of residue 279
PHE
Atom CA of residue 358
Atom CB of residue 17
Atom CA of residue 28
Atom CA of residue 550
Atom CA of residue 357
Atom CA of residue 549
Atom O of residue 444
Atom CA of residue 67
Atom CD1 of residue 137
Atom CA of residue 68
Atom NE of residue 84
Atom CA of residue 356
Atom CA of residue 23
LEU
Atom CA of residue 548
Atom CA of residue 355
Atom CA of residue 22
ALA
Atom CG of residue 49
Atom CA of residue 547
LYS
Atom CA of residue 108
Atom CD of residue 115
Atom CA of residue 20
Atom CA of residue 354
Atom CA of residue 352
GLU
Atom C of residue 118
GLU
Atom CA of residue 543
Atom CA of residue 22
Atom CA of residue 270
LEU
Atom N of residue 48
GLU
ILE
THR
ALA
Atom CA of residue 349
ILE
Atom CA of residue 98
Atom CZ of residue 47
Atom CA of residue 268
MET
Atom N of residue 483
Atom CA of residue 16
Atom CA of residue 540
PRO
Atom O of residue 84
Atom CA of residue 142
Atom CG of residue 47
Atom N of residue 21
Atom CA of residue 267
LEU
Atom CA of residue 347
Atom CA of residue 539
Atom CA of residue 345
Atom CA of residue 537
Atom CA of residue 65
VAL
Atom CA of residue 344
Atom CA of residue 536
Atom NH1 of residue 84
Atom CA of residue 114
Atom CA of residue 51
PHE
Atom CA of residue 115
Atom N of residue 98
VAL
Atom CA of residue 2643
Atom CA of residue 343
GLY
Atom CA of residue 268
Atom CA of residue 535
Atom CG of residue 136
Atom O of residue 9
VAL
Atom CA of residue 473
Atom CG of residue 60
Atom NH2 of residue 8
Atom OG1 of residue 44
Atom CA of residue 203
Atom C of residue 461
Atom C of residue 44
Atom C of residue 72
Atom C of residue 102
Atom CA of residue 466
Atom CA of residue 102
Atom CA of residue 72
Atom CA of residue 102
Atom CA of residue 336
Atom CA of residue 528
PRO
ASP
Atom N of residue 6
Atom CA of residue 255
ASP
PRO
Atom C of residue 59
GLY
Atom CA of residue 335
Atom CA of residue 527
Atom CA of residue 254
GLU
Atom CA of residue 23
Atom CA of residue 333
SER
LEU
Atom CA of residue 120
Atom CA of residue 434
Atom CA of residue 21
Atom CA of residue 15
Atom CA of residue 332
MET
Atom CA of residue 25
Atom CA of residue 524
Atom CA of residue 251
LEU
Atom CA of residue 331
ARG
Atom CA of residue 523
Chain B
Atom OE2 of residue 17
Atom CA of residue 250
LEU
Atom CA of residue 330
SER
Atom CA of residue 533
LEU
Atom CA of residue 522
Atom CA of residue 527
ILE
Atom CA of residue 85
THR
PRO
Atom CA of residue 17
CYS
ASN
THR
SER
SER
Atom CA of residue 526
ALA
Atom CA of residue 147
TYR
Atom O of residue 79
Atom CA of residue 51
LEU
Atom CA of residue 19
Atom N of residue 129
Atom CG of residue 4
SER
GLU
Atom O of residue 105
Atom CA of residue 15
Atom CG1 of residue 132
Atom O of residue 56
GLU
Atom CA of residue 516
GLU
LEU
ARG
Atom CA of residue 47
Atom CA of residue 61
Atom N of residue 46
Atom CA of residue 93
Atom CA of residue 525
TRP
LEU
THR
Atom CA of residue 44
Atom CA of residue 42
PHE
HIS
CoarseCC7
ASN
Atom O of residue 3
Atom C of residue 36
P0
Atom OD2 of residue 110
THR
GLU
Atom CA of residue 105
Atom CA of residue 18
PHE
Atom CA of residue 119
HIS
Atom CA of residue 497
PRO
SER
Atom CA of residue 439
TRP
ASN
Atom CD1 of residue 114
Atom CA of residue 2676
PHE
Atom CG of residue 35
Atom CA of residue 41
MET
ILE
Atom N of residue 497
ILE
ARG
Atom CA of residue 2675
THR
LEU
Atom C of residue 35
ASN
ASN
PHE
ILE
SER
THR
Atom CA of residue 437
Atom CA of residue 53
Atom O of residue 67
Atom CG of residue 60
SER
ASN
GLU
Atom CA of residue 36
Atom CG of residue 475
SER
Atom CA of residue 42
Atom CG of residue 76
ASP
ASN
Fit restraint scratch map
ALA
Atom CA of residue 35
Atom CA of residue 33
ALA
Atom CA of residue 32
LYS
Atom CA of residue 2666
Atom CA of residue 503
GLU
Atom OE2 of residue 42
ILE
GLN
Atom CD of residue 141
Atom CA of residue 65
Atom CA of residue 69
Atom CA of residue 2665
Atom CB of residue 43
python stream
Atom CA of residue 443
Atom CA of residue 23
Atom CA of residue 30
Atom N of residue 66
ASP
MET
Atom CA of residue 33
Atom CB of residue 65
Atom CA of residue 231
Atom CA of residue 74
Atom CA of residue 499
SER
ALA
Atom CA of residue 498
SER
ASP
Atom CA of residue 369
Atom C of residue 520
ARG
LEU
Atom CA of residue 92
ILE
Atom CA of residue 23
Atom CA of residue 11
Atom OG of residue 506
THR
VAL
VAL
Atom CA of residue 404
MET
Atom CB of residue 49
ALA
LEU
Atom O of residue 93
ILE
PRO
ALA
Atom NH2 of residue 60
Atom CG of residue 48
GLU
ASP
Fit restraint
Atom CA of residue 27
Atom O of residue 31
LYS
Atom CA of residue 39
Atom C of residue 51
Atom CA of residue 49
Atom CA of residue 501
THR
Atom CA of residue 485
Atom O of residue 463
GLN
GLY
Atom CA of residue 484
Atom CA of residue 450
Atom C of residue 118
LYS
LEU
Atom CA of residue 449
Atom CA of residue 379
SER
VAL
Atom CA of residue 450
Atom CA of residue 46
Atom CA of residue 44
ARG
GLN
ALA
Atom CA of residue 16
Atom CG of residue 19
Atom CA of residue 440
Atom CA of residue 116
Atom CE2 of residue 82
Atom CA of residue 151
LEU
ALA
LEU
Atom CD of residue 460
PHE
GLU
Atom CA of residue 61
GLY
Atom CA of residue 123
GLN
Atom CA of residue 74
PRO
ASP
Atom C of residue 58
VAL
VAL
Atom CG2 of residue 142
Atom C of residue 97
ALA
Atom CA of residue 73
P1
ALA
SER
ASP
Atom CG of residue 481
TYR
THR
VAL
Atom CB of residue 15
ARG
Atom CA of residue 72
Atom OD1 of residue 127
Atom C of residue 156
ALA
SER
Atom CA of residue 70
Atom N of residue 156
MET
Atom CA of residue 432
Atom N of residue 133
Atom CA of residue 2629
Atom CA of residue 96
Atom CA of residue 121
Atom CA of residue 95
GLN
TRP
Atom CA of residue 89
Atom CB of residue 87
Atom CA of residue 94
GLY
Atom CA of residue 92
Atom O of residue 24
Atom CA of residue 65
Atom CZ of residue 50
Atom C of residue 106
Atom CA of residue 147
Atom CA of residue 223
Atom CA of residue 88
Atom CA of residue 86
Atom N of residue 471
GLU
ALA
Atom CA of residue 80
Atom NH1 of residue 61
Atom CA of residue 12
Atom CA of residue 79
Atom CB of residue 61
Atom CA of residue 308
ARG
Atom CA of residue 76
THR
Atom O of residue 468
Atom O of residue 89
Atom CA of residue 34
Atom CA of residue 58
Atom CA of residue 74
Atom NE of residue 47
Atom CA of residue 72
Atom CB of residue 47
Atom CA of residue 10
Atom CD1 of residue 60
ASP
Atom CA of residue 71
GLN
Atom CA of residue 47
1z5s.pdb
Atom CA of residue 70
Atom CA of residue 49
Atom CA of residue 66
Atom CA of residue 69
Atom CA of residue 23
Atom CA of residue 68
Atom C of residue 56
Atom CA of residue 67
Atom OG1 of residue 461
LEU
ARG
Atom CA of residue 65
SER
Atom CA of residue 106
Atom C of residue 81
Atom CA of residue 127
SER
Atom C of residue 436
Atom CA of residue 3
Atom N of residue 136
LEU
LYS
Atom CA of residue 62
Atom CB of residue 447
Atom N of residue 133
LYS
LYS
PRO
Atom CA of residue 60
PRO
Atom CA of residue 26
VAL
Atom CA of residue 57
LEU
GLY
LYS
Atom N of residue 585
GLY
Atom CA of residue 29
Atom CA of residue 55
Atom CA of residue 185
Atom CA of residue 54
ASP
Atom OG1 of residue 40
GLN
ILE
ARG
Atom CA of residue 115
Atom CA of residue 34
Atom CA of residue 81
LEU
Atom CE2 of residue 128
ASP
Atom CA of residue 560
PHE
Atom CA of residue 51
Atom O of residue 547
GLY
PRO
MET
TYR
LEU
SER
PHE
GLN
Atom CB of residue 542
ALA
Atom CA of residue 33
Atom CA of residue 525
Atom CB of residue 15
PRO
Atom CA of residue 126
LYS
GLY
LEU
LEU
Atom CA of residue 28
Atom CA of residue 493
Atom O of residue 31
Atom CA of residue 52
Atom CG of residue 136
HIS
ILE
Atom NE of residue 103
ALA
Atom CA of residue 20
Atom CA of residue 27
GLU
ILE
Atom CA of residue 11
LYS
VAL
Atom CA of residue 532
Atom CA of residue 26
Atom CD2 of residue 440
ALA
LEU
Atom CA of residue 51
ILE
Atom CA of residue 2668
ASP
LEU
Atom CD1 of residue 135
PRO
Atom OD1 of residue 59
Atom CD2 of residue 562
Atom N of residue 60
GLU
Atom CA of residue 61
ARG
TYR
THR
GLU
TYR
GLY
LEU
Atom CA of residue 150
THR
Atom CA of residue 7
Atom CA of residue 61
Atom CA of residue 157
Atom O of residue 465
Atom CG1 of residue 86
ALA
SER
Atom O of residue 113
SER
Atom C of residue 465
Atom CB of residue 86
Atom CA of residue 156
Atom CA of residue 119
Atom CA of residue 155
LYS
Atom CA of residue 67
Atom C of residue 133
Atom CA of residue 174
Atom CA of residue 129
Atom CB of residue 119
Atom CA of residue 118
ASP
Atom CA of residue 350
SER
ALA
ALA
Atom CA of residue 111
Atom CA of residue 450
ALA
GLY
Atom C of residue 84
Atom CA of residue 2645
Atom CA of residue 141
Atom CA of residue 9
Atom CA of residue 139
Atom CA of residue 136
Atom CA of residue 331
Atom CA of residue 134
Atom CA of residue 136
ILE
mol0 rigid body rigid body positions
VAL
Atom CA of residue 133
Atom C of residue 563
PHE
Atom CD of residue 60
Atom CA of residue 48
Atom CA of residue 166
ILE
VAL
Atom CA of residue 128
PRO
Atom N of residue 130
Atom CD1 of residue 82
Atom CA of residue 122
ILE
THR
GLY
Atom CA of residue 438
Atom C of residue 54
ASN
Atom CA of residue 44
Atom O of residue 129
SER
LeavesRefiner0
Atom CA of residue 121
LEU
Atom CA of residue 136
Atom C of residue 129
Atom CA of residue 157
Atom CG1 of residue 148
Atom CA of residue 101
Atom CA of residue 112
Atom CA of residue 132
Atom CA of residue 120
Atom CA of residue 329
Atom CA of residue 469
THR
VAL
UpdateRigidBodyMembers21
Atom CA of residue 117
Atom CA of residue 114
Atom CA of residue 525
Atom N of residue 103
Atom CA of residue 154
LEU
LEU
ALA
Atom CA of residue 113
Atom CA of residue 24
Atom OE1 of residue 459
Atom CA of residue 104
ILE
Atom CA of residue 468
Atom CA of residue 15
LYS
Atom CA of residue 107
Atom CA of residue 328
ASN
DensityMap1
Atom CA of residue 152
Atom CA of residue 468
Atom CD2 of residue 555
Atom CA of residue 111
Atom CG of residue 26
Atom CA of residue 464
HIS
ASN
GLU
Atom CA of residue 108
Atom O of residue 102
Atom CA of residue 65
Atom CA of residue 130
ALA
Atom CA of residue 314
Atom CA of residue 27
PRO
Atom CG of residue 80
Atom CA of residue 81
TRP
Atom CA of residue 580
Atom O of residue 114
Atom CD2 of residue 449
Atom CA of residue 103
MET
ASN
Atom CA of residue 123
Atom O of residue 117
ASP
Atom N of residue 29
Atom CA of residue 323
Atom O of residue 80
Atom CA of residue 102
Atom O of residue 4
Atom N of residue 492
Atom CA of residue 127
Atom CA of residue 101
Atom CA of residue 100
GLU
Atom OE1 of residue 19
Atom CA of residue 466
PRO
LEU
Atom CB of residue 120
Atom OG1 of residue 67
Atom CE of residue 48
VAL
Atom CA of residue 372
Atom CA of residue 479
Atom CA of residue 136
GLU
Atom CA of residue 98
LYS
Atom CD1 of residue 62
LEU
LEU
Atom CA of residue 322
Atom CA of residue 97
PRO
Atom CA of residue 96
Atom CA of residue 78
PRO
Atom N of residue 80
LEU
Atom CA of residue 95
Atom C of residue 519
LYS
GLU
Atom N of residue 127
PHE
TYR
Atom CD of residue 79
Atom CA of residue 94
CYS
Atom CB of residue 491
Atom CA of residue 124
VAL
Atom CA of residue 468
THR
THR
LEU
THR
SER
TRP
Atom N of residue 51
GLY
Atom CA of residue 75
Atom CA of residue 11
Atom O of residue 50
SER
GLN
LYS
Atom CA of residue 89
MET
GLY
Atom CA of residue 534
Atom C of residue 50
PRO
Atom CA of residue 317
Atom N of residue 553
Atom CA of residue 88
Atom CD of residue 552
Atom CA of residue 87
Atom CA of residue 73
Atom OG1 of residue 29
PRO
Atom CA of residue 86
LEU
Atom CA of residue 85
Atom CA of residue 119
HIS
Atom CD2 of residue 516
THR
Chain A
Atom CA of residue 512
PHE
Atom C of residue 112
Atom CB of residue 78
TYR
LEU
Atom OD1 of residue 567
ALA
Atom CA of residue 511
Atom CA of residue 65
Atom CA of residue 434
Atom CG of residue 6
LYS
Atom O of residue 109
Atom CA of residue 77
Atom CB of residue 551
ASN
LYS
Atom CA of residue 537
Atom CA of residue 74
Atom CA of residue 91
Atom CE of residue 48
PRO
Atom CA of residue 536
Atom CA of residue 72
Atom CA of residue 167
Atom O of residue 32
Atom CD of residue 149
Atom OE2 of residue 32
TYR
Atom NE of residue 33
Atom C of residue 19
Atom CA of residue 299
Atom CA of residue 316
Atom CA of residue 572
Atom N of residue 79
Atom CD2 of residue 456
ASN
VAL
Atom CA of residue 59
ILE
Atom CZ of residue 144
SER
LEU
Atom CD of residue 17
Atom CA of residue 57
ILE
Atom CG1 of residue 94
Atom OH of residue 16
PRO
Atom CA of residue 221
TYR
Atom CG of residue 28
THR
VAL
GLU
Atom CA of residue 565
GLY
LYS
Atom CB of residue 58
HIS
Atom CA of residue 139
PRO
Atom CA of residue 48
Atom CA of residue 246
Atom CA of residue 49
VAL
Atom CA of residue 46
Atom CA of residue 46
Atom CA of residue 245
Atom CA of residue 48
PHE
Atom N of residue 30
CYS
VAL
Atom CA of residue 45
Atom CA of residue 54
CYS
LEU
LYS
Atom C of residue 116
Atom CA of residue 185
GLU
ASP
ILE
GLU
LYS
GLY
PRO
VAL
TRP
LEU
LEU
GLY
Atom OE1 of residue 32
Atom NE of residue 147
LEU
Atom O of residue 86
ASN
Atom CD of residue 32
python stream rigid body
Atom C of residue 86
Atom CA of residue 39
VAL
Atom CA of residue 39
Atom CZ of residue 11
Atom N of residue 465
MET
LEU
Atom CA of residue 132
VAL
Atom C of residue 49
Atom CA of residue 462
AccumulateRigidBodyDerivatives9
GLY
Atom CA of residue 123
ASP
PRO
Atom CA of residue 4
ASN
Atom CA of residue 31
Atom CG2 of residue 29
Atom CA of residue 513
Atom CA of residue 462
LEU
Atom CD2 of residue 62
LYS
Atom N of residue 534
LEU
THR
Atom CB of residue 33
Atom CB of residue 135
ILE
Atom N of residue 32
ASP
GLU
ASP
GLY
Atom CA of residue 90
Atom CA of residue 28
THR
Atom CA of residue 537
GLY
Atom CB of residue 117
Atom CA of residue 472
Atom CA of residue 7
VAL
Atom CA of residue 10
SER
Atom C of residue 560
normalize rigid bodies
Atom CA of residue 2665
Atom CB of residue 18
Atom CA of residue 70
SER
ALA
Atom CD of residue 28
Atom C of residue 23
Atom CA of residue 22
Atom CB of residue 29
Atom CB of residue 24
Atom CA of residue 27
Atom CA of residue 443
MET
Atom CG1 of residue 54
ASN
LEU
Atom CA of residue 26
Atom CA of residue 464
Atom CA of residue 25
ILE
Atom CG of residue 118
Atom CG2 of residue 35
GLN
TYR
P1
ALA
Atom CA of residue 548
GLN
Atom CA of residue 24
Atom CA of residue 115
PHE
ASP
Atom CA of residue 22
ASP
Atom CA of residue 118
LEU
Atom CA of residue 135
ASN
Atom NZ of residue 118
Atom C of residue 34
Atom CA of residue 525
Atom CA of residue 66
Atom CA of residue 173
Atom CA of residue 128
ALA
Atom CB of residue 144
Atom CA of residue 337
Atom CA of residue 105
GLN
Atom CA of residue 27
GLU
Atom CA of residue 546
Atom CA of residue 16
Atom CA of residue 116
Atom CA of residue 15
UpdateRigidBodyMembers17
Atom CA of residue 149
Atom O of residue 24
ARG
Atom CA of residue 148
Atom CA of residue 160
Atom O of residue 18
Atom CA of residue 87
ALA
Atom CB of residue 89
Atom CA of residue 10
Atom CA of residue 20
GLY
THR
Atom CA of residue 59
ARG
VAL
Atom CD1 of residue 11
Atom CA of residue 8
Atom CA of residue 91
Atom CA of residue 17
Atom CG of residue 59
Atom CA of residue 83
HIS
PRO
Atom CA of residue 336
ASP
Atom CA of residue 482
python stream
GLU
ASP
Atom NH2 of residue 61
LEU
LYS
ALA
Atom CA of residue 57
1tdx.pdb
Atom CA of residue 337
Atom CA of residue 529
SampledDensityMap18
Atom CA of residue 109
Fit restraint
SampledDensityMap12
Atom CG1 of residue 455
Fit restraint scratch map
LYS
GLU
Atom CA of residue 155
Chain C
SER
Atom CA of residue 484
Atom CA of residue 19
Atom CB of residue 550
AccumulateRigidBodyDerivatives7
Atom CA of residue 374
ASP
GLY
GLU
UpdateRigidBodyMembers7
Atom CA of residue 486
ALA
Atom CA of residue 93
LEU
Atom N of residue 37
Atom CA of residue 69
python stream rigid body rigid body positions
Atom CA of residue 44
AccumulateRigidBodyDerivatives6
UpdateRigidBodyMembers4
Atom CA of residue 104
GLY
Atom CA of residue 2692
ASP
Atom CA of residue 2691
Atom CA of residue 11
Atom CA of residue 102
Atom CA of residue 2666
Atom CA of residue 54
LEU
TYR
Fit restraint scratch map
MET
LYS
Atom C of residue 34
Atom CA of residue 491
TRP
MET
ASN
PRO
Atom CA of residue 561
Atom CA of residue 463
Atom CA of residue 34
Atom CA of residue 2686
GLY
ASN
Atom OG1 of residue 91
Atom CA of residue 490
GLY
Atom CA of residue 2685
LYS
Atom CA of residue 2649
Atom CA of residue 587
Atom CA of residue 489
LEU
Atom CA of residue 29
GLY
mol2 rigid body rigid body positions
Atom CA of residue 17
Atom CA of residue 2684
LYS
Atom CA of residue 2648
TYR
Atom CA of residue 586
Atom CA of residue 488
GLU
Atom CG of residue 524
LEU
Atom CA of residue 2683
Atom CA of residue 487
LYS
Atom NE2 of residue 582
Atom CA of residue 2682
VAL
Atom CA of residue 454
Atom CA of residue 485
THR
ILE
Atom CA of residue 2680
Atom N of residue 139
Atom N of residue 86
Atom C of residue 443
ASP
Atom CA of residue 2679
Atom CA of residue 580
ARG
Atom CA of residue 83
GLU
LEU
THR
PRO
THR
Atom N of residue 125
Atom CA of residue 229
Atom CA of residue 2678
PHE
ASP
LEU
Atom CA of residue 2677
Atom OE1 of residue 145
Atom CA of residue 481
ALA
Atom CA of residue 2676
Atom CA of residue 31
GLU
TRP
Atom C of residue 81
ASP
Atom CA of residue 2671
PHE
ASP
LEU
HIS
VAL
Atom CA of residue 2670
Atom CG of residue 122
VAL
GLU
LEU
Atom CA of residue 587
GLU
Atom CA of residue 2669
LYS
Atom O of residue 134
SER
Atom CD2 of residue 87
ALA
PHE
ILE
ASP
TYR
Atom OE1 of residue 43
SER
Atom CA of residue 464
SER
Atom CG1 of residue 117
GLU
Atom CA of residue 98
Atom CA of residue 2665
Atom CZ3 of residue 53
Atom CB of residue 557
Atom CB of residue 43
ASN
ILE
python stream rigid body
Atom CA of residue 97
Atom CA of residue 2664
ILE
LYS
ARG
Atom CE1 of residue 585
Atom CA of residue 37
Atom CA of residue 43
MET
GLU
Atom CA of residue 96
Atom CA of residue 2663
Atom CA of residue 454
ALA
Atom CA of residue 118
Atom CA of residue 297
Atom CA of residue 2662
SER
LYS
Atom CG of residue 578
TYR
Atom CA of residue 27
CYS
Atom CA of residue 447
Atom CA of residue 74
Atom CA of residue 37
Atom CB of residue 28
PHE
THR
PRO
ILE
Atom CA of residue 4
Chain A
ALA
PHE
LYS
Atom NH2 of residue 77
LEU
ALA
Atom C of residue 77
ASP
LEU
Atom CA of residue 296
P2
Atom CA of residue 2645
Atom CA of residue 58
Atom N of residue 25
Atom CA of residue 295
Atom CA of residue 2644
Atom CG of residue 76
VAL
Atom CB of residue 544
Atom CA of residue 294
Atom CA of residue 2643
GLU
Atom CD of residue 59
GLY
LYS
Atom OG of residue 505
Atom CA of residue 293
Atom CA of residue 2642
ARG
Atom CG of residue 14
Atom CA of residue 292
Atom CA of residue 2641
PHE
Atom CA of residue 17
Atom N of residue 63
Atom CA of residue 13
GLY
MET
Atom O of residue 579
Atom CA of residue 291
Atom CG of residue 141
Atom CA of residue 2640
Atom O of residue 129
HIS
LYS
Atom C of residue 75
Atom CA of residue 502
Atom CA of residue 33
Atom CA of residue 74
GLY
Atom CE1 of residue 480
ILE
VAL
Atom CA of residue 150
Atom CA of residue 525
Atom CA of residue 501
Atom CA of residue 32
Atom CA of residue 100
ALA
Atom C of residue 504
Atom CA of residue 73
Atom CA of residue 2630
LEU
Atom C of residue 102
Atom CA of residue 112
ALA
Atom CA of residue 65
CYS
Atom NH2 of residue 13
python stream
LYS
Atom CA of residue 460
ASP
Atom CA of residue 514
Atom CA of residue 2629
Atom CA of residue 472
Atom CA of residue 108
Atom CA of residue 27
Atom CA of residue 53
LYS
Atom CG1 of residue 529
Atom CA of residue 27
Atom CA of residue 586
Atom CB of residue 33
Atom CA of residue 50
Atom CA of residue 121
Atom O of residue 33
Atom CB of residue 512
Atom CA of residue 19
TYR
LEU
Atom CA of residue 69
Atom CA of residue 42
ILE
Atom C of residue 50
LEU
ASP
Atom CA of residue 7
GLU
Atom CA of residue 47
Atom CA of residue 118
ARG
GLN
PRO
GLU
Atom CA of residue 2689
input1.pdb
Atom CA of residue 46
Atom CA of residue 117
LEU
ASP
PHE
Atom CA of residue 549
Atom NE1 of residue 104
Atom C of residue 25
LEU
Atom CB of residue 21
Atom CA of residue 548
GLN
VAL
Atom CA of residue 91
Atom N of residue 25
Atom N of residue 58
Atom CA of residue 547
Atom CB of residue 67
VAL
Atom CA of residue 126
Atom CA of residue 546
ILE
GLU
MET
Atom CA of residue 125
Atom CA of residue 545
ASN
HIS
ASP
Atom CA of residue 544
Atom CA of residue 543
Atom CA of residue 481
Atom CA of residue 524
LEU
Atom CA of residue 480
Atom CA of residue 541
Atom O of residue 531
Atom CA of residue 479
Atom C of residue 531
MET
SER
Atom CA of residue 531
Atom CA of residue 540
ALA
LEU
Atom CA of residue 539
PRO
Atom CA of residue 55
Atom CA of residue 59
PHE
Atom CA of residue 538
Atom CA of residue 53
Atom CG of residue 65
TYR
Atom CB of residue 155
PHE
Atom CA of residue 116
LEU
Atom CA of residue 149
Atom OG1 of residue 463
ARG
CYS
Atom CA of residue 534
Atom CA of residue 533
ILE
ALA
Atom CA of residue 531
LYS
Atom CA of residue 529
Atom CA of residue 530
Atom CE1 of residue 83
Atom C of residue 101
VAL
VAL
Atom CA of residue 101
Atom CA of residue 2669
Atom CA of residue 529
Atom CA of residue 19
ALA
LYS
GLU
Atom CA of residue 453
SER
Atom CA of residue 525
Atom OG of residue 435
SER
GLU
Atom N of residue 528
Atom CA of residue 514
LEU
Atom CA of residue 531
Atom CA of residue 2637
Atom CA of residue 523
Atom CA of residue 71
TYR
Atom CA of residue 513
Atom CA of residue 303
LEU
Atom CA of residue 2672
Atom NH1 of residue 515
Atom CA of residue 530
Atom N of residue 114
Atom CG of residue 35
Atom CA of residue 5
Atom CA of residue 2636
Atom CA of residue 51
VAL
GLY
Atom CA of residue 25
LYS
GLY
GLU
GLY
Atom CA of residue 2635
Atom CA of residue 521
ILE
Atom SD of residue 62
MET
Atom CG of residue 62
Atom CA of residue 520
Atom CA of residue 532
Atom CE1 of residue 144
Atom O of residue 99
Atom CA of residue 449
HIS
Atom C of residue 17
Atom CA of residue 519
Atom CG of residue 527
LEU
ARG
Atom CA of residue 487
Atom CA of residue 512
Atom CA of residue 557
Atom N of residue 12
VAL
THR
Atom CA of residue 486
Atom CA of residue 511
Atom N of residue 123
Atom CA of residue 510
VAL
Atom CD of residue 526
Atom CA of residue 88
Atom N of residue 61
SER
Atom N of residue 42
Atom CA of residue 226
Atom CG of residue 526
Atom CA of residue 509
Atom C of residue 100
Atom CA of residue 87
ASN
Atom CA of residue 151
Atom CA of residue 483
Atom CA of residue 508
LYS
Atom CA of residue 85
SER
ASP
ASP
PHE
Atom CA of residue 84
SER
Atom CA of residue 99
Atom CZ of residue 58
Atom CA of residue 480
Atom OE1 of residue 151
Atom CA of residue 505
HIS
VAL
Atom CA of residue 83
SER
VAL
SER
Atom CA of residue 82
ASN
Atom CA of residue 503
Atom CA of residue 20
LYS
SER
Atom CA of residue 81
PHE
Atom CA of residue 96
Atom CA of residue 477
ASN
VAL
Atom NE2 of residue 98
Atom CA of residue 80
ALA
Atom OG1 of residue 485
LYS
Atom C of residue 59
LYS
Atom CA of residue 78
LYS
GLN
Atom CG of residue 120
Atom C of residue 23
Atom CA of residue 76
LEU
HIS
Atom CA of residue 75
ALA
Atom CE1 of residue 20
ASP
LYS
Atom CA of residue 73
VAL
SER
THR
Atom O of residue 72
ILE
VAL
VAL
Atom CA of residue 88
LYS
Atom CA of residue 132
Atom CG of residue 84
Atom CA of residue 144
PRO
Atom CG2 of residue 587
PRO
Atom CA of residue 299
Atom CA of residue 33
PHE
Atom C of residue 52
ASP
Atom CB of residue 497
LYS
ILE
HIS
Atom SD of residue 108
Atom OE1 of residue 483
PHE
Atom N of residue 517
Atom CA of residue 455
THR
SER
ASP
ILE
Atom CA of residue 116
Atom CA of residue 332
Atom CA of residue 135
Atom CA of residue 25
THR
Atom CA of residue 24
Atom CA of residue 58
Atom CA of residue 23
GLN
ALA
Atom NH1 of residue 515
ILE
LEU
Atom CB of residue 515
Atom CA of residue 49
SER
LEU
SER
Atom CA of residue 585
Atom CA of residue 453
Atom CZ2 of residue 53
GLY
Atom CA of residue 450
VAL
Atom CA of residue 65
Atom N of residue 584
LEU
Atom CA of residue 448
Atom CA of residue 447
Atom CA of residue 445
Atom CA of residue 47
Atom O of residue 32
PHE
Atom CA of residue 32
ASP
ALA
GLU
TYR
Atom CA of residue 280
Atom CA of residue 82
Atom CA of residue 52
Atom CA of residue 112
THR
Atom CA of residue 478
Atom NE of residue 115
GLN
UnaryFunction0
Atom CA of residue 116
Atom CA of residue 42
GLU
Atom CA of residue 96
Atom CA of residue 58
python stream rigid body rigid body positions
ALA
Atom CA of residue 581
Atom CA of residue 2639
Atom CA of residue 2673
PRO
Atom C of residue 24
Atom O of residue 125
LYS
LYS
SER
Atom CA of residue 354
ARG
LYS
GLY
VAL
Atom CA of residue 39
Atom CA of residue 542
Atom CA of residue 579
Atom CG of residue 508
GLU
Atom CA of residue 2661
ILE
THR
Atom CA of residue 46
GLY
PHE
Atom CA of residue 112
Atom CA of residue 91
THR
GLU
Atom CA of residue 97
Atom CA of residue 77
ILE
GLY
Atom CA of residue 45
GLY
Atom CA of residue 90
Atom CA of residue 578
GLU
Atom CA of residue 96
GLY
Atom O of residue 79
Atom CA of residue 89
Atom CA of residue 577
Atom CA of residue 95
Atom CA of residue 2658
Atom CA of residue 561
PRO
ILE
Atom CA of residue 94
Atom CZ of residue 147
PRO
Atom CA of residue 93
Atom CB of residue 144
Atom CA of residue 2656
LYS
VAL
Atom CA of residue 86
Atom CA of residue 92
Atom CA of residue 2655
ASN
Atom O of residue 146
Atom CA of residue 85
Atom CA of residue 91
Atom CA of residue 287
ARG
Atom C of residue 105
ALA
SER
Atom OE2 of residue 118
Atom O of residue 78
PRO
Atom CA of residue 84
Atom CG of residue 577
Atom CA of residue 90
LYS
Atom CA of residue 83
Atom CA of residue 89
ARG
ILE
Atom CA of residue 82
Atom CA of residue 88
Atom CA of residue 81
Atom CB of residue 26
Atom CA of residue 2663
Atom CA of residue 41
Atom CA of residue 87
ASP
Atom CA of residue 75
Atom CA of residue 80
Atom CA of residue 86
Atom CA of residue 84
Atom CA of residue 83
Atom CA of residue 39
Atom CA of residue 82
Atom CA of residue 2655
Atom N of residue 79
Atom CA of residue 2654
Atom CA of residue 77
Atom CA of residue 504
Atom CA of residue 35
Atom CG1 of residue 434
LEU
Atom CA of residue 76
Atom CA of residue 75
SER
Atom CA of residue 144
LEU
GLU
ASN
TYR
ASP
VAL
ALA
Atom N of residue 504
TRP
Atom CA of residue 2635
Atom CA of residue 72
ILE
Atom CA of residue 154
Atom CA of residue 63
PHE
LEU
ARG
Atom CA of residue 446
Atom CA of residue 2
SER
ARG
Atom CA of residue 70
GLN
TRP
GLY
Atom CA of residue 104
Atom CA of residue 437
Atom CA of residue 68
Atom N of residue 135
TRP
THR
GLU
Atom CA of residue 436
Atom CA of residue 67
ASP
SER
PHE
Atom CA of residue 66
Atom CA of residue 65
Atom CA of residue 64
Atom CA of residue 384
Atom CD of residue 65
Atom OG of residue 58
Atom OG of residue 478
MET
GLN
Atom C of residue 72
Atom CA of residue 90
Atom CG of residue 502
Atom CA of residue 63
Atom CA of residue 46
ALA
Atom CA of residue 52
Atom CA of residue 23
MET
PRO
Atom CD2 of residue 92
VAL
Atom NH1 of residue 17
GLY
THR
VAL
Atom CA of residue 56
GLN
MET
Atom CA of residue 55
ARG
Atom CA of residue 583
Atom CA of residue 47
Atom CA of residue 54
Atom CA of residue 19
GLN
Atom C of residue 56
Atom O of residue 476
PHE
Atom C of residue 70
Atom O of residue 23
VAL
GLN
Atom NE2 of residue 20
Atom N of residue 33
Atom N of residue 524
GLY
LEU
SER
CYS
TYR
Atom CA of residue 115
Atom CA of residue 347
Atom CA of residue 126
SER
Atom CA of residue 52
TYR
Atom CA of residue 125
Atom C of residue 120
ARG
Atom CA of residue 51
Atom C of residue 471
Atom CB of residue 55
Atom CE of residue 475
Atom CA of residue 73
Atom CZ of residue 69
Atom SG of residue 43
LEU
ALA
SER
SER
Atom CA of residue 124
Atom OE1 of residue 499
ARG
ALA
Atom CA of residue 139
Atom CA of residue 21
GLU
TRP
VAL
LYS
ARG
Atom CA of residue 522
ALA
ASP
VAL
HIS
Atom CA of residue 66
Atom O of residue 63
Atom N of residue 68
ILE
Atom CA of residue 106
Atom CA of residue 338
Atom CA of residue 117
GLN
Atom O of residue 119
LEU
THR
ILE
Atom CA of residue 104
Atom CA of residue 336
Atom CA of residue 115
Atom CA of residue 41
LEU
ILE
Atom CA of residue 33
GLY
VAL
ARG
Atom CA of residue 19
Atom N of residue 498
MET
Atom C of residue 137
Atom O of residue 84
GLU
Atom CA of residue 61
ASP
LYS
Atom CA of residue 101
Fit restraint scratch map
Atom CG of residue 443
Atom CG2 of residue 30
LYS
ARG
VAL
Atom CA of residue 96
Atom C of residue 119
Atom CA of residue 134
Atom CA of residue 476
Atom CA of residue 80
Atom CA of residue 36
Atom CA of residue 487
Atom CA of residue 50
GLU
Atom CA of residue 3
ARG
Atom CA of residue 87
Writer to slow_temp_000.pdb
Atom CA of residue 570
Atom CA of residue 140
Atom CA of residue 33
ALA
GLN
SER
Atom CA of residue 139
Atom CA of residue 32
Atom CA of residue 258
CYS
Atom CA of residue 4
SER
Atom CA of residue 137
Atom CA of residue 30
Atom CA of residue 22
ALA
LYS
Atom CG of residue 104
GLN
ALA
Atom SD of residue 39
ARG
Atom CA of residue 16
LYS
ARG
Atom N of residue 582
Atom CA of residue 35
Atom CG of residue 10
Atom OE2 of residue 99
Atom CB of residue 116
ASN
Atom CA of residue 16
Atom NH2 of residue 515
Atom CG of residue 451
ILE
ALA
Atom CA of residue 130
Atom CB of residue 35
VAL
PRO
LYS
Atom CA of residue 98
TRP
Atom CA of residue 120
ASP
Atom OE2 of residue 20
LEU
VAL
GLU
TYR
Atom CA of residue 62
Atom CG1 of residue 490
Atom CA of residue 21
THR
Atom N of residue 13
SER
python stream
Atom CA of residue 61
LYS
PRO
Atom CA of residue 446
Atom CD2 of residue 98
PHE
THR
Atom CA of residue 560
Atom CA of residue 60
Atom CA of residue 112
ALA
HIS
Atom CA of residue 51
Atom CA of residue 122
Atom OG1 of residue 65
ARG
Atom CA of residue 59
Atom N of residue 93
GLU
Atom N of residue 494
ASN
LEU
Atom CA of residue 537
LEU
Atom CA of residue 49
Atom CA of residue 120
Atom CA of residue 119
Atom CB of residue 65
Atom CA of residue 37
Atom CA of residue 25
PRO
LEU
THR
Atom CA of residue 48
Atom CA of residue 119
Atom C of residue 138
Atom CA of residue 47
PRO
GLU
Atom NE2 of residue 126
PHE
Atom CA of residue 24
ASN
GLU
Atom CA of residue 157
PRO
PHE
Atom NH2 of residue 125
Atom CA of residue 2634
Atom CA of residue 125
Atom CA of residue 9
Atom CA of residue 54
Atom CA of residue 22
LYS
Atom CA of residue 2633
Atom N of residue 114
Atom CA of residue 21
HIS
GLY
GLY
Atom C of residue 64
SER
ILE
Atom CA of residue 123
Atom CA of residue 52
Atom CB of residue 131
SER
Atom NH2 of residue 13
LEU
ILE
Atom CE3 of residue 41
MET
HIS
Atom C of residue 492
LEU
Atom CA of residue 43
Atom CA of residue 114
ALA
Atom CE2 of residue 137
ALA
VAL
LEU
LEU
GLY
CYS
GLN
Atom CG of residue 82
VAL
ILE
ALA
Atom CB of residue 31
Atom CA of residue 127
Atom CD1 of residue 12
PHE
Atom CA of residue 149
GLN
Atom O of residue 109
Atom NH2 of residue 61
Atom CD of residue 43
Atom CA of residue 31
Atom CA of residue 39
Atom N of residue 62
Atom CA of residue 39
Atom CA of residue 110
GLY
VAL
Atom NZ of residue 445
Atom CG of residue 8
Atom CA of residue 12
TRP
GLN
Atom CA of residue 42
Atom C of residue 7
CYS
ARG
GLU
Atom CA of residue 503
Atom CA of residue 17
Atom CG of residue 103
ASP
PHE
ALA
Atom CA of residue 95
Chain A
ASN
Atom CA of residue 149
LEU
LEU
Atom CA of residue 35
Atom CA of residue 106
Atom CA of residue 148
GLU
LEU
Atom CA of residue 144
ALA
GLY
Atom CB of residue 72
GLU
Atom CA of residue 269
SER
Atom CA of residue 129
Atom CA of residue 92
Atom CB of residue 534
Atom CA of residue 268
ALA
ASN
Atom CA of residue 2650
ARG
Atom C of residue 5
Atom C of residue 135
Atom CA of residue 141
PRO
Atom CA of residue 102
Atom CA of residue 587
ASN
Atom CG of residue 6
Atom CA of residue 86
THR
Atom CA of residue 140
Atom CB of residue 29
GLU
Atom CA of residue 101
GLN
Atom CA of residue 242
Atom CA of residue 2632
ASP
Atom CA of residue 585
Atom CA of residue 539
SER
Atom NH2 of residue 115
Atom OD1 of residue 136
LEU
Atom CA of residue 100
GLU
ARG
Atom CA of residue 99
GLU
LEU
ARG
LEU
SampledDensityMap81
PRO
Atom CA of residue 98
Atom CA of residue 518
ARG
ASN
TYR
ALA
Atom C of residue 129
Atom CA of residue 397
Atom CA of residue 515
VAL
GLY
Atom CA of residue 514
PRO
SER
GLU
Atom CA of residue 140
Atom CA of residue 2693
Atom N of residue 464
TYR
VAL
Atom CA of residue 118
Atom O of residue 7
Atom CA of residue 68
Atom CA of residue 67
VAL
Atom CA of residue 37
Atom CA of residue 2688
PRO
HIS
ASN
Atom CD of residue 125
Atom CA of residue 66
THR
SER
LYS
HIS
LYS
Atom O of residue 541
GLU
Atom C of residue 461
Atom CA of residue 59
Atom CA of residue 35
Atom CA of residue 481
VAL
ARG
Atom CD of residue 96
Atom CA of residue 506
PHE
Atom C of residue 74
Atom CA of residue 77
LYS
TRP
THR
Atom CA of residue 2661
Atom N of residue 151
Atom CA of residue 482
Atom CA of residue 507
Atom CB of residue 145
Atom CA of residue 176
Atom O of residue 100
Chain A
Atom CA of residue 26
LEU
Atom CA of residue 162
Atom CA of residue 45
Atom CA of residue 138
Atom CA of residue 44
Atom CA of residue 43
Atom CG of residue 18
TRP
ASP
Atom CA of residue 65
Atom CE of residue 153
Atom CA of residue 16
Atom CG1 of residue 25
Atom CA of residue 172
Atom CA of residue 127
Atom CA of residue 116
Atom CA of residue 348
Atom O of residue 483
Atom CA of residue 123
SER
ASN
Atom C of residue 508
Atom CA of residue 466
LYS
Atom CD of residue 459
GLN
Atom C of residue 7
Atom CA of residue 451
VAL
Atom CA of residue 36
Atom CA of residue 541
Atom CA of residue 35
Atom CD1 of residue 63
ARG
Atom CA of residue 38
ARG
MET
Atom CA of residue 145
TYR
GLN
Atom CA of residue 155
Atom CA of residue 28
ILE
Atom CA of residue 34
VAL
Atom CA of residue 465
THR
PHE
GLY
THR
Atom CG of residue 10
Atom C of residue 15
Atom CA of residue 41
1z5s.pdb rigid body rigid body positions
ARG
PHE
Atom CA of residue 129
Atom CA of residue 540
Atom CA of residue 22
Atom CZ of residue 134
LEU
PRO
Atom CA of residue 83
HIS
Atom CA of residue 439
Atom CA of residue 2635
Atom CD of residue 48
Atom NH1 of residue 141
ARG
Atom CA of residue 2631
Atom CA of residue 5
ASP
Atom CD2 of residue 22
Atom CB of residue 514
Atom CA of residue 2690
Atom CA of residue 529
ARG
Atom OG1 of residue 51
VAL
Atom CA of residue 23
Atom OE2 of residue 49
Atom OE1 of residue 63
GLY
Atom CA of residue 492
ASP
Atom CE2 of residue 53
Atom CA of residue 2687
Atom CA of residue 7
LEU
python stream
python stream rigid body rigid body positions
AccumulateRigidBodyDerivatives3
Atom CA of residue 457
Atom CA of residue 124
Atom O of residue 36
UpdateRigidBodyMembers3
TRP
Atom O of residue 516
Atom CA of residue 2675
SER
Atom N of residue 458
Atom CA of residue 105
AccumulateRigidBodyDerivatives2
Atom CA of residue 59
UpdateRigidBodyMembers2
GLU
THR
HIS
HIS
ARG
AccumulateRigidBodyDerivatives1
GLY
LEU
LEU
Atom CA of residue 27
THR
Atom CA of residue 496
NormalizeRotation0
rigid bodies list
Atom CA of residue 89
Atom O of residue 148
Atom CA of residue 100
Atom CB of residue 110
TYR
Atom C of residue 103
GLN
GLU
Atom O of residue 64
Fit restraint scratch map
Atom CA of residue 19
LEU
GLN
SER
Atom CA of residue 328
HIS
Atom CA of residue 24
Atom CA of residue 580
Atom CA of residue 6
TYR
Atom CA of residue 553
Atom CA of residue 36
Atom CA of residue 3
Atom CA of residue 327
VAL
Atom O of residue 13
Atom CA of residue 64
Atom CA of residue 538
Atom CA of residue 552
Atom C of residue 2
Atom CA of residue 36
Atom CE2 of residue 41
Atom CA of residue 26
Atom CA of residue 35
Atom CA of residue 8
TYR
Atom C of residue 123
Atom CA of residue 577
Atom CA of residue 2690
Atom CD of residue 96
Fit restraint internal rb map
Atom CB of residue 41
Atom CB of residue 63
Atom CA of residue 574
Atom CA of residue 2687
Atom CA of residue 18
TYR
Atom CE of residue 445
Atom CA of residue 150
Atom CA of residue 9
GLY
Atom O of residue 71
ASN
Atom CA of residue 2685
Atom N of residue 526
Atom CA of residue 2684
ILE
Atom CA of residue 72
ASP
Atom CA of residue 2683
Atom CA of residue 572
LYS
Atom CA of residue 2682
VAL
Atom CA of residue 568
Atom CA of residue 2681
Atom CA of residue 2680
Atom C of residue 71
Atom CA of residue 566
Atom CA of residue 409
Atom CB of residue 4
Atom CA of residue 2679
Atom N of residue 559
Atom N of residue 92
GLU
Atom CA of residue 2678
PHE
Atom CA of residue 460
LEU
Atom N of residue 115
ILE
Atom SG of residue 573
Atom CA of residue 584
Atom CA of residue 538
VAL
ILE
SER
Atom CA of residue 562
ALA
GLY
ASP
Atom CB of residue 127
LEU
Atom CA of residue 561
Atom CD2 of residue 523
LEU
LYS
ASP
CYS
Atom CA of residue 45
Atom CA of residue 560
GLU
MET
Atom CA of residue 559
ALA
LYS
LEU
Atom CA of residue 45
GLU
THR
Atom CA of residue 448
ALA
Atom CA of residue 75
Atom CA of residue 24
Atom CA of residue 558
Atom CA of residue 2671
Atom CA of residue 2670
Atom CA of residue 556
Atom CA of residue 2668
TYR
Atom CA of residue 109
Atom CA of residue 132
Atom CA of residue 64
ASN
Atom CA of residue 552
Atom CA of residue 373
ASP
Atom CG1 of residue 125
PRO
Atom CA of residue 539
Atom CB of residue 125
Atom CA of residue 475
Atom CA of residue 551
Atom CA of residue 2664
Atom CA of residue 526
Atom CA of residue 4
TYR
GLN
GLY
VAL
HIS
Atom CA of residue 550
LYS
SER
Atom CB of residue 66
Atom CA of residue 2663
Atom CA of residue 180
ALA
ASP
ASN
Atom CA of residue 26
Atom CA of residue 120
Atom CA of residue 2661
Atom CA of residue 88
GLY
Atom CD2 of residue 53
LEU
Atom SD of residue 108
Atom CA of residue 119
Atom CA of residue 2660
Atom CA of residue 118
Atom CA of residue 2659
Atom CA of residue 115
Atom CA of residue 2656
Atom ND1 of residue 519
Atom C of residue 21
Atom CA of residue 131
GLU
VAL
Atom CA of residue 112
Atom CA of residue 2653
LYS
Atom CA of residue 514
ASP
Atom CA of residue 513
TRP
Atom CD of residue 552
Atom CA of residue 110
Atom CA of residue 2651
GLU
Atom CA of residue 512
GLU
ALA
ALA
Atom CA of residue 127
SER
Atom CA of residue 511
Atom N of residue 85
ILE
Atom OD1 of residue 102
Atom CA of residue 108
Atom CA of residue 2649
ILE
LYS
Atom CA of residue 240
Atom CD1 of residue 97
Atom CA of residue 505
LEU
LYS
Atom CA of residue 239
ARG
Atom CA of residue 504
Atom C of residue 80
LEU
Atom CA of residue 6
Atom O of residue 12
Atom CA of residue 2633
Atom CD1 of residue 562
GLU
Atom CA of residue 2632
LYS
LEU
PRO
TRP
Atom CG2 of residue 486
Chain D
Atom C of residue 155
LYS
Atom O of residue 488
Atom CG of residue 122
ARG
Atom C of residue 69
Atom CA of residue 140
Atom O of residue 121
Atom CG of residue 35
ARG
ARG
Atom CA of residue 67
MET
Atom CA of residue 55
Atom CA of residue 139
Atom CA of residue 1
Atom CA of residue 54
Atom CA of residue 138
Atom CB of residue 122
PRO
Atom CA of residue 53
Atom CA of residue 137
LYS
Atom CA of residue 136
Atom O of residue 568
Atom N of residue 18
ILE
THR
Atom CG2 of residue 23
Atom CA of residue 135
VAL
Atom O of residue 120
Atom CB of residue 67
Atom CG of residue 34
Atom CA of residue 536
Atom CA of residue 35
Atom C of residue 132
Atom CA of residue 133
Atom CA of residue 89
ALA
GLY
Atom CA of residue 26
Atom CB of residue 575
Atom CA of residue 535
Atom CA of residue 374
Atom CA of residue 88
Atom CA of residue 34
Atom NH2 of residue 33
SER
GLU
Atom CA of residue 534
Atom CA of residue 33
ALA
ALA
LYS
ILE
Atom CA of residue 534
ALA
GLY
Atom CA of residue 71
Atom CE2 of residue 16
ALA
Atom CA of residue 162
Atom CA of residue 136
GLN
PRO
THR
Atom CA of residue 129
Atom CA of residue 28
Atom CA of residue 128
PRO
Atom C of residue 134
Atom CB of residue 16
Atom N of residue 452
Atom C of residue 149
GLY
Atom CA of residue 95
LEU
ASP
Atom CA of residue 94
ALA
VAL
PRO
UpdateRigidBodyMembers6
Atom CA of residue 53
GLN
ARG
Atom CA of residue 91
MET
Atom CA of residue 96
ASP
Atom CA of residue 21
Atom CA of residue 436
Atom CD of residue 127
ASN
THR
Atom CA of residue 132
Atom C of residue 14
Atom CA of residue 540
Atom CA of residue 59
GLY
TYR
Atom CA of residue 137
Atom CA of residue 39
TYR
LEU
Atom ND2 of residue 37
ARG
ASN
Atom CA of residue 508
GLY
Atom CA of residue 24
Atom OE1 of residue 9
Atom CA of residue 507
GLU
Atom CA of residue 23
ALA
ALA
Atom CA of residue 123
GLY
GLN
Atom CA of residue 356
Atom CA of residue 27
PHE
GLU
Atom N of residue 587
LEU
Atom CA of residue 355
Atom CA of residue 26
ILE
VAL
Atom CA of residue 136
Atom CA of residue 312
GLU
GLY
VAL
SER
Atom CA of residue 109
Atom CA of residue 86
Atom O of residue 19
Atom CA of residue 135
Atom CA of residue 311
ASP
Atom CA of residue 509
ASP
Atom CA of residue 352
ASP
GLU
ASN
GLU
Atom CA of residue 134
Atom CA of residue 15
LYS
Atom CA of residue 508
Atom C of residue 140
SER
Atom CA of residue 351
ILE
Atom OG1 of residue 8
GLU
PHE
Atom CA of residue 132
Atom CA of residue 133
Atom CA of residue 507
Atom N of residue 528
Atom CA of residue 563
Atom CB of residue 488
Atom CA of residue 506
Atom CA of residue 505
ASN
Atom O of residue 110
python stream
SER
Atom CA of residue 504
GLN
ASN
PHE
CYS
Atom CA of residue 129
Atom O of residue 515
Atom CA of residue 47
VAL
Atom CA of residue 503
LEU
Atom CD1 of residue 94
Atom CA of residue 346
PHE
UpdateRigidBodyMembers12
Atom CA of residue 25
ILE
Atom N of residue 145
Atom CA of residue 128
ALA
Atom CA of residue 345
VAL
SER
LEU
Atom CA of residue 501
Atom CA of residue 344
GLU
PHE
Atom CA of residue 500
Atom CB of residue 97
SER
Atom O of residue 35
Atom CA of residue 499
VAL
SER
MET
Atom CE of residue 500
SER
Atom CA of residue 498
GLU
VAL
GLU
ASP
VAL
Atom CG of residue 13
LYS
GLU
Atom C of residue 561
Atom N of residue 487
LYS
ASP
Atom CA of residue 561
VAL
Atom O of residue 16
GLY
Atom CG2 of residue 583
SER
ALA
SER
Atom OG1 of residue 583
LYS
Atom CA of residue 495
ILE
Atom C of residue 61
LEU
Atom O of residue 116
Atom C of residue 4
Atom CA of residue 493
GLN
ASP
Atom CA of residue 492
Atom C of residue 108
GLN
Atom CA of residue 108
Atom CA of residue 4
VAL
Atom CA of residue 288
Atom CD2 of residue 581
Atom CA of residue 287
GLU
Atom CE2 of residue 16
Atom N of residue 120
Atom CA of residue 286
LEU
Atom CA of residue 117
PHE
VAL
THR
Atom CA of residue 478
SER
Atom CA of residue 477
VAL
ARG
LYS
python stream rigid body
Atom CA of residue 475
Atom CA of residue 2629
LEU
Atom CA of residue 474
PHE
Atom CA of residue 103
ALA
PRO
Atom CA of residue 472
Atom O of residue 147
Atom CA of residue 102
SER
THR
VAL
MET
Atom CA of residue 470
Atom CG of residue 42
VAL
Atom CG2 of residue 51
Atom O of residue 72
Atom CA of residue 383
python stream rigid body
GLN
Atom C of residue 24
Atom CA of residue 122
Atom CA of residue 469
Atom SD of residue 76
LEU
LEU
PHE
Atom CA of residue 121
LEU
GLU
Atom N of residue 506
ALA
ASN
ASN
Atom CA of residue 467
PRO
ARG
ILE
Atom CA of residue 466
ASP
ASP
Atom CA of residue 465
PRO
VAL
Atom CA of residue 44
Atom CA of residue 520
SER
SER
SER
LEU
Atom CA of residue 464
Atom CA of residue 14
GLY
ALA
GLY
Atom NE1 of residue 41
Atom CA of residue 463
VAL
THR
Atom N of residue 76
GLU
VAL
P1
ILE
ASP
Atom CA of residue 461
GLN
VAL
GLN
THR
Atom CA of residue 459
Atom CA of residue 112
ALA
VAL
LEU
Atom CA of residue 458
ILE
Atom CA of residue 53
Atom CA of residue 111
ILE
Atom CA of residue 520
LEU
Atom CA of residue 457
Atom C of residue 576
Atom CA of residue 473
Atom CA of residue 519
ARG
Atom CA of residue 456
LYS
ILE
VAL
ALA
Atom CA of residue 73
GLU
GLU
Atom CA of residue 455
SER
GLU
Atom CA of residue 68
SER
Atom CD1 of residue 11
LYS
Atom CA of residue 452
LEU
Atom CA of residue 451
ARG
Atom CA of residue 60
Atom CA of residue 102
LYS
GLY
Atom CA of residue 450
MET
LEU
Atom CA of residue 59
Atom CA of residue 101
LEU
Atom CB of residue 75
Atom CA of residue 2679
Atom CA of residue 2675
Atom CA of residue 2674
Atom CA of residue 2673
Atom CA of residue 446
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom CA of residue 2672
Atom CA of residue 506
Atom CA of residue 445
Atom CB of residue 95
Atom CA of residue 2671
Atom CA of residue 505
Atom CA of residue 444
Atom CA of residue 441
Atom CA of residue 114
Atom CA of residue 436
GLU
Atom OD1 of residue 100
Atom CA of residue 73
LEU
Atom CA of residue 580
Atom CA of residue 569
Atom NE of residue 515
Atom C of residue 98
Atom OE1 of residue 113
Atom CB of residue 82
Atom N of residue 70
Atom CA of residue 253
Atom CA of residue 58
Atom N of residue 73
PHE
ALA
Atom CA of residue 350
PRO
GLN
1tdx.pdb
Atom C of residue 563
Atom CA of residue 12
SER
ALA
ALA
LYS
Atom CA of residue 510
Atom CA of residue 244
Atom CA of residue 509
Atom O of residue 53
Atom CA of residue 95
Atom CB of residue 101
ASP
Atom N of residue 34
Atom OD1 of residue 19
GLN
GLU
Atom CA of residue 93
Atom CD1 of residue 12
Atom CA of residue 92
GLU
Atom CA of residue 88
Atom OG1 of residue 51
ASP
Atom CD1 of residue 82
Atom OD2 of residue 99
GLU
Atom CA of residue 170
Atom CA of residue 15
Atom CA of residue 230
Atom CA of residue 50
Atom CA of residue 2657
created density map
Atom CA of residue 157
Atom CA of residue 489
GLU
CYS
Atom CA of residue 237
Atom CG of residue 11
GLU
Atom CA of residue 84
GLN
PHE
Atom CA of residue 236
GLU
Atom CA of residue 83
Atom N of residue 99
TYR
LEU
Atom CA of residue 456
PRO
TYR
Atom CA of residue 62
Atom C of residue 128
NullModifier7
Atom CA of residue 61
PHE
PRO
LYS
Atom C of residue 10
Atom CA of residue 123
Atom CA of residue 78
Atom CB of residue 95
Atom CA of residue 495
Atom OE1 of residue 143
Atom O of residue 98
VAL
python stream rigid body
LYS
MET
Atom CA of residue 77
Atom CA of residue 506
Atom CA of residue 494
Atom O of residue 527
THR
Atom CA of residue 505
HIS
ALA
PRO
Atom C of residue 126
Atom CA of residue 9
Atom CA of residue 16
Atom CA of residue 492
Atom CG1 of residue 97
P2
Atom C of residue 123
Atom CA of residue 21
PHE
SER
Atom CA of residue 14
Atom CB of residue 40
Atom CA of residue 491
Atom CA of residue 19
PRO
Atom CG2 of residue 107
Atom CA of residue 27
Atom CA of residue 490
VAL
Atom CA of residue 71
Atom CA of residue 2681
ARG
Atom CA of residue 2680
Atom N of residue 29
Atom CA of residue 69
Atom C of residue 28
Atom CA of residue 286
Atom CA of residue 78
TYR
Atom C of residue 8
Atom CA of residue 68
Atom O of residue 101
Atom CA of residue 7
Atom CA of residue 485
Atom O of residue 95
VAL
Atom C of residue 525
PHE
Atom CG1 of residue 112
Atom CA of residue 483
SER
Atom CA of residue 473
ALA
PRO
Atom O of residue 121
LEU
Atom CG1 of residue 45
Atom CB of residue 7
PHE
Atom CA of residue 64
ARG
GLU
PHE
ARG
SER
ASN
Atom CA of residue 63
Atom CA of residue 96
Atom CA of residue 480
LEU
Atom CB of residue 62
Atom CA of residue 83
LYS
CYS
GLY
VAL
PRO
Atom CA of residue 60
Atom CG1 of residue 469
Atom CA of residue 477
Atom CA of residue 141
MET
VAL
Atom NH1 of residue 60
PRO
GLU
Atom CA of residue 59
Atom CA of residue 476
PRO
THR
VAL
Atom CD2 of residue 119
TYR
Atom N of residue 6
Atom CA of residue 57
Atom CA of residue 130
GLU
Atom CB of residue 25
Atom CA of residue 474
Atom CA of residue 197
Atom CA of residue 379
THR
Atom C of residue 32
Atom O of residue 523
Atom CG of residue 96
Atom CG2 of residue 119
GLY
ALA
Atom CA of residue 56
Atom CA of residue 20
GLN
GLU
Atom O of residue 62
Atom O of residue 26
Atom O of residue 52
Atom CA of residue 187
PRO
Atom CA of residue 55
GLY
Atom CA of residue 186
ALA
Atom OE2 of residue 42
GLN
Atom CA of residue 451
Atom CA of residue 131
Atom CZ of residue 87
ALA
Atom CA of residue 365
Atom CA of residue 53
Atom CA of residue 472
ILE
Atom OE1 of residue 460
CYS
Atom CA of residue 486
Atom CD1 of residue 24
Atom CA of residue 488
Atom O of residue 42
ARG
Atom CB of residue 42
TYR
Atom CA of residue 168
Atom CA of residue 32
Atom ND1 of residue 544
THR
Atom CA of residue 487
Atom CA of residue 511
Atom CA of residue 85
Atom CA of residue 31
VAL
LYS
TRP
Atom CA of residue 545
ILE
1tyq_D.pdb
SER
THR
GLU
ASP
Atom CA of residue 476
Atom CA of residue 485
ALA
Atom CA of residue 49
PHE
GLY
Atom CA of residue 73
LEU
ALA
LYS
GLU
Atom CA of residue 475
GLY
Atom C of residue 55
GLU
Atom CD2 of residue 578
SER
LEU
GLY
ASP
Atom N of residue 459
Atom N of residue 125
Atom O of residue 86
Atom CA of residue 66
LYS
Atom C of residue 123
Atom CG2 of residue 70
ARG
Atom C of residue 64
ASN
Atom CD2 of residue 41
ASN
Atom CA of residue 126
PHE
LEU
Atom CA of residue 64
Atom CA of residue 148
Atom N of residue 573
Atom CA of residue 125
VAL
Atom CA of residue 50
GLN
Atom CA of residue 80
Atom N of residue 37
Atom CA of residue 63
Atom CA of residue 479
Atom CA of residue 65
SER
Atom CE2 of residue 134
Atom CA of residue 62
Atom CA of residue 146
Atom CA of residue 7
Atom CA of residue 123
Atom CA of residue 495
SER
Atom NH1 of residue 13
Atom CA of residue 48
Atom CA of residue 61
Atom CA of residue 145
CYS
Atom CA of residue 477
Atom CB of residue 36
Atom CA of residue 476
LYS
Atom CA of residue 385
Atom CA of residue 2667
Atom CB of residue 134
Atom CA of residue 475
Atom CA of residue 120
Atom CB of residue 115
Atom CA of residue 466
LEU
Atom CA of residue 2651
SER
SER
Atom C of residue 116
ASN
Atom CG2 of residue 27
Atom CA of residue 364
Atom CA of residue 36
PHE
Atom CG2 of residue 90
Atom N of residue 91
Atom CA of residue 2650
VAL
LEU
Atom CA of residue 89
Atom CA of residue 115
GLU
Atom CA of residue 81
ILE
Atom O of residue 518
Atom CA of residue 363
MET
ASP
SER
Atom CA of residue 2649
GLY
LEU
Atom CA of residue 88
ILE
Atom CA of residue 67
Atom CA of residue 87
Atom CA of residue 157
Atom CG of residue 88
Atom CA of residue 129
Atom CA of residue 9
THR
SER
Atom CA of residue 459
Atom CA of residue 359
Atom CA of residue 135
ASP
Atom CA of residue 92
TYR
ASP
Atom CA of residue 358
Atom CA of residue 83
GLN
Atom CA of residue 122
Atom CA of residue 29
Atom CA of residue 57
Atom O of residue 43
Atom CA of residue 134
Atom O of residue 140
LYS
ILE
Atom CA of residue 126
Atom CA of residue 21
Atom CA of residue 126
Atom C of residue 50
PRO
THR
Atom CA of residue 6
Atom CA of residue 14
ARG
PRO
PHE
Atom N of residue 28
PRO
THR
GLN
Atom CA of residue 585
Atom NZ of residue 530
ASP
Atom CA of residue 2634
ALA
THR
MET
Atom O of residue 48
GLN
ARG
ASN
GLN
PRO
Atom CA of residue 2647
Atom CG of residue 49
LEU
LYS
GLU
ARG
TYR
LYS
VAL
LEU
Atom CA of residue 384
Atom CA of residue 2666
Atom CA of residue 58
Atom CA of residue 86
UpdateRigidBodyMembers0
MET
ASP
ALA
Atom CA of residue 153
Atom OD1 of residue 122
Atom O of residue 84
VAL
ASN
ALA
ILE
THR
ILE
Atom N of residue 11
Atom CA of residue 21
Atom CA of residue 2642
Atom CA of residue 156
Atom N of residue 85
LEU
LEU
Atom CA of residue 128
SER
Atom CA of residue 560
Atom O of residue 519
Atom CA of residue 81
Atom N of residue 6
Atom CA of residue 257
TYR
ASP
Atom CA of residue 132
Atom O of residue 57
Atom CA of residue 584
Atom CA of residue 467
Atom CA of residue 131
Atom CA of residue 41
GLN
Atom CA of residue 36
ASN
Atom C of residue 29
Atom CA of residue 512
GLN
VAL
Atom N of residue 131
SER
Atom CD2 of residue 6
Atom C of residue 526
ASP
Atom CD1 of residue 155
MET
Atom CG2 of residue 485
LEU
ARG
GLN
ASP
GLU
ILE
GLY
Atom CA of residue 462
ILE
Atom CB of residue 37
GLY
Atom CA of residue 460
Atom O of residue 46
PRO
Atom OG of residue 7
Atom CG2 of residue 107
GLU
Atom CA of residue 459
Atom N of residue 122
LYS
LYS
THR
ARG
ALA
Atom O of residue 26
PRO
Atom CA of residue 361
Atom CA of residue 339
Atom CA of residue 179
Atom CA of residue 458
GLY
PRO
THR
LEU
Atom CG of residue 124
VAL
GLU
Atom CA of residue 360
Atom CA of residue 178
Atom CA of residue 457
ILE
PRO
ALA
ASN
Atom CA of residue 54
ALA
Atom CA of residue 353
Atom CA of residue 456
GLU
Atom CA of residue 131
Atom CA of residue 120
Atom CA of residue 352
Atom CA of residue 455
ASN
VAL
Atom CA of residue 46
Atom CA of residue 130
Atom CA of residue 175
Atom CA of residue 119
Atom CG of residue 85
Atom CA of residue 454
Atom CB of residue 510
ASP
Atom CA of residue 378
Atom CA of residue 45
GLY
GLU
PHE
PRO
Atom N of residue 93
Atom CA of residue 80
GLU
ILE
Atom O of residue 64
GLU
Atom CA of residue 2641
Atom CA of residue 171
Atom CA of residue 18
ASN
Model 26
Atom C of residue 105
LYS
ARG
THR
PRO
Atom CA of residue 333
PHE
HIS
LEU
GLU
LYS
SER
VAL
GLU
LEU
Atom CA of residue 31
PHE
LEU
VAL
ILE
python stream rigid body rigid body positions
Atom C of residue 106
Atom CA of residue 30
THR
ARG
GLY
ARG
GLY
ASN
ARG
Atom CG of residue 482
Atom CA of residue 155
Atom CA of residue 84
GLN
Atom CA of residue 151
ASP
Atom CA of residue 12
SER
Atom CZ of residue 115
GLY
TRP
GLU
ASN
GLY
ARG
Atom N of residue 151
LYS
PHE
Atom C of residue 62
ALA
ASP
Atom CA of residue 370
Atom CA of residue 77
Atom CA of residue 21
ALA
SER
ALA
LYS
Atom CB of residue 112
MET
GLY
Atom C of residue 22
Atom CA of residue 156
LEU
ILE
Atom CA of residue 277
Atom NZ of residue 110
ASN
PRO
Atom N of residue 59
GLY
Atom CD1 of residue 502
Atom CB of residue 19
ARG
Atom CA of residue 30
Atom CA of residue 357
Atom CA of residue 72
PHE
SER
LEU
Atom CA of residue 29
Atom CA of residue 356
Atom CA of residue 71
Atom CA of residue 12
GLN
SER
Atom O of residue 111
SER
Atom CA of residue 2679
LYS
GLU
Atom CA of residue 70
ASN
PRO
Atom CA of residue 2678
LEU
Atom CA of residue 69
ALA
TYR
Atom CA of residue 496
Atom CA of residue 68
Atom CA of residue 57
SER
Atom C of residue 507
ALA
Atom CA of residue 67
GLY
Atom CA of residue 43
ASN
VAL
Atom CA of residue 50
LEU
LYS
Atom CA of residue 519
Atom CA of residue 63
ILE
Atom CA of residue 118
ALA
Atom CA of residue 152
Atom CA of residue 46
Atom CA of residue 28
Atom CB of residue 136
Atom N of residue 89
Atom CA of residue 18
Atom CA of residue 67
ARG
CYS
Atom CG of residue 141
PHE
ARG
TRP
Atom O of residue 12
VAL
Atom CA of residue 39
HIS
ASN
Atom O of residue 438
Atom N of residue 12
LEU
GLN
GLY
Atom CA of residue 116
Atom CA of residue 97
ASN
ALA
Atom CB of residue 118
THR
Atom CA of residue 51
Atom CD of residue 8
Atom CA of residue 76
MET
Atom C of residue 79
Atom CB of residue 66
PHE
MET
LEU
THR
Atom CA of residue 31
Atom CB of residue 109
Atom CB of residue 15
THR
Atom CA of residue 85
Atom CA of residue 77
Atom N of residue 105
Atom CA of residue 2638
ALA
Atom CA of residue 25
PRO
Atom CA of residue 564
Atom N of residue 10
VAL
SER
Atom CA of residue 25
PHE
Atom CA of residue 38
GLU
Atom CA of residue 24
Atom CA of residue 24
Chain D
GLY
Atom CA of residue 2629
Atom CB of residue 99
Atom CA of residue 37
PRO
Atom CA of residue 23
Atom CG of residue 120
ASP
Atom CA of residue 58
Atom CA of residue 571
Atom CA of residue 76
Atom CA of residue 11
Atom CA of residue 113
PRO
Atom CB of residue 574
Atom CA of residue 578
LYS
Atom CA of residue 4
ASP
P1
Atom CB of residue 512
Atom CA of residue 184
Atom N of residue 95
Atom CA of residue 14
PRO
Atom CA of residue 69
ALA
VAL
Atom CB of residue 53
Atom CA of residue 94
Atom CA of residue 243
Atom CA of residue 50
Atom CA of residue 50
Atom CB of residue 474
Atom CA of residue 89
Atom CA of residue 101
GLU
THR
Atom CA of residue 564
Atom CA of residue 564
Atom CA of residue 477
GLY
Atom CA of residue 62
Atom CG of residue 491
LYS
Atom CA of residue 2640
LEU
Atom C of residue 69
LEU
Atom OG1 of residue 514
Atom CA of residue 97
Atom CG1 of residue 112
Atom CA of residue 228
Atom OD2 of residue 6
Atom CD1 of residue 575
Atom CA of residue 239
ILE
Atom C of residue 115
MET
Atom O of residue 117
HIS
PRO
MET
Atom CA of residue 111
Atom CA of residue 126
Atom CA of residue 69
Atom CA of residue 55
Atom CB of residue 63
LEU
Atom CA of residue 23
SER
GLN
Atom CA of residue 43
Atom CA of residue 18
Atom OG1 of residue 65
THR
Atom CA of residue 50
THR
PRO
Atom CA of residue 75
Atom NZ of residue 468
NullModifier1
Atom CA of residue 461
GLY
ALA
Atom CA of residue 85
Atom O of residue 457
Atom CA of residue 20
Atom CA of residue 576
SER
Atom NH2 of residue 77
Model 8
VAL
ALA
P0
ALA
Atom CA of residue 124
Atom CA of residue 5
Atom CA of residue 213
Atom CA of residue 63
DensityMap27
VAL
Atom CA of residue 249
LEU
LYS
PRO
Atom C of residue 523
GLU
Atom CA of residue 2634
GLY
PRO
Atom N of residue 11
LYS
Atom CA of residue 367
Atom CD1 of residue 30
Atom CD1 of residue 539
LYS
Atom CA of residue 13
LYS
Atom CA of residue 460
ILE
SER
GLU
Atom CA of residue 112
Atom CG1 of residue 5
Atom C of residue 447
Atom CA of residue 131
GLN
Atom NH1 of residue 448
Atom N of residue 46
SER
Atom CA of residue 74
Atom CG of residue 512
PRO
Atom CA of residue 111
LEU
Atom CA of residue 130
LYS
Atom CG1 of residue 142
PRO
Atom NH1 of residue 149
Atom CA of residue 329
Atom CB of residue 45
THR
LEU
ILE
Atom CA of residue 45
Atom CA of residue 69
PRO
ALA
Atom CB of residue 82
Atom CB of residue 448
ALA
ALA
Atom CA of residue 39
Atom CA of residue 55
ALA
Atom O of residue 81
GLY
Atom CA of residue 264
Atom CA of residue 554
Atom CA of residue 107
Atom OE2 of residue 132
ARG
VAL
Atom CA of residue 126
Atom OE2 of residue 526
PRO
Atom CD2 of residue 135
Atom CA of residue 54
Atom CD1 of residue 562
Atom OD2 of residue 59
Atom CB of residue 5
Atom CG of residue 21
Atom CB of residue 48
LEU
Atom NH2 of residue 47
ARG
Atom CA of residue 123
PHE
ASP
ALA
Atom CA of residue 122
MET
Atom CA of residue 275
LYS
LYS
LEU
Atom CA of residue 258
ASP
VAL
CYS
AccumulateRigidBodyDerivatives5
ALA
LEU
Atom CA of residue 23
GLU
PHE
Atom OD2 of residue 465
Atom CA of residue 119
Atom CG of residue 100
Atom O of residue 119
GLU
Atom CE2 of residue 16
LYS
Atom CB of residue 56
SER
Atom N of residue 96
Atom CA of residue 117
Atom CB of residue 47
Atom CA of residue 60
CYS
LEU
Atom CA of residue 116
ARG
Atom CA of residue 115
Atom O of residue 560
Atom C of residue 57
Atom N of residue 47
TYR
LEU
VAL
Atom CA of residue 446
Atom CA of residue 111
LYS
Atom CA of residue 110
TYR
Atom CA of residue 2
Atom CA of residue 78
ILE
ASP
GLY
THR
Atom CA of residue 76
Atom NE2 of residue 36
Atom CG of residue 582
Atom CG2 of residue 55
ARG
Atom CA of residue 120
MET
Atom CE of residue 146
python stream rigid body rigid body positions
Atom CG1 of residue 457
ARG
Atom CA of residue 155
Atom O of residue 26
GLY
Atom CA of residue 82
Atom CA of residue 433
Atom O of residue 44
Atom CE2 of residue 551
Atom CG of residue 34
Atom CA of residue 99
Atom CA of residue 79
LEU
Atom CA of residue 154
ASP
Atom CA of residue 22
Atom CA of residue 25
Atom CA of residue 81
Atom CA of residue 130
Atom C of residue 34
PRO
Atom CA of residue 98
Atom CA of residue 2648
LYS
Atom C of residue 547
CYS
Atom C of residue 42
Atom CA of residue 526
Atom N of residue 77
Atom CA of residue 535
Atom CA of residue 11
TRP
Atom CG2 of residue 91
VAL
Atom CA of residue 2647
LYS
GLU
Atom CA of residue 79
Atom CA of residue 96
LYS
Atom NE of residue 33
ASN
Atom CA of residue 57
Atom CA of residue 124
Atom CA of residue 482
Atom CB of residue 157
Atom CA of residue 402
Atom CA of residue 97
Atom N of residue 586
Atom CA of residue 94
GLY
SER
ARG
LEU
PRO
GLU
GLY
ASP
Atom CA of residue 56
Atom CA of residue 227
ILE
Atom CA of residue 401
Atom CA of residue 96
Atom CA of residue 93
GLU
THR
Atom CA of residue 265
LEU
Atom CA of residue 55
Atom CA of residue 148
Atom CA of residue 70
Atom N of residue 74
Atom CA of residue 520
PHE
Atom CA of residue 54
Atom CA of residue 69
ASP
Atom CA of residue 147
Atom CA of residue 225
UpdateRigidBodyMembers1
Atom CA of residue 399
Atom N of residue 152
ASP
Atom CA of residue 519
THR
ARG
Atom CA of residue 13
Atom CA of residue 4
Atom CA of residue 2691
ILE
Atom CA of residue 53
Atom CA of residue 146
Atom C of residue 552
Atom CA of residue 224
GLY
Atom CA of residue 398
Atom CA of residue 90
Atom CZ of residue 480
UpdateRigidBodyMembers9
Atom NH2 of residue 29
Atom CB of residue 35
ILE
Atom CA of residue 2690
Atom CA of residue 494
Atom O of residue 138
Atom CA of residue 48
ILE
GLU
Atom CA of residue 145
Atom CG of residue 24
Atom O of residue 106
Atom CA of residue 223
Atom CA of residue 397
GLU
Atom CA of residue 89
TYR
TYR
THR
ASP
Atom CA of residue 222
Atom CA of residue 396
Atom CA of residue 88
GLU
HIS
THR
Atom CA of residue 55
GLN
Atom CE2 of residue 82
CoarseCC1
Atom CA of residue 87
Atom CA of residue 540
Atom CA of residue 515
ILE
Atom CA of residue 2
PRO
Atom CE of residue 10
Atom CA of residue 220
Atom CA of residue 86
ASN
Atom CD1 of residue 584
LEU
Atom NE2 of residue 459
Atom OD2 of residue 136
Atom CA of residue 141
P2
GLY
Atom CA of residue 393
Atom N of residue 546
TRP
Atom N of residue 41
ASN
Atom C of residue 517
GLN
ARG
Atom CB of residue 493
Atom CA of residue 140
Atom CA of residue 218
LYS
Atom CA of residue 84
Atom CA of residue 34
GLU
PRO
Atom CA of residue 139
Atom CA of residue 391
LeavesRefiner1
Atom CA of residue 17
PHE
Atom N of residue 124
Atom CA of residue 138
Atom CA of residue 93
Atom CB of residue 48
Atom O of residue 49
Atom CA of residue 522
Atom CA of residue 390
Atom C of residue 492
Atom CB of residue 131
PHE
Atom CA of residue 82
Atom CB of residue 71
LEU
VAL
GLU
Atom CA of residue 4
LEU
Atom CA of residue 16
Atom CA of residue 137
Atom CA of residue 207
Atom CA of residue 521
Atom CA of residue 389
ALA
ASP
PHE
Atom N of residue 27
Atom CA of residue 388
Atom N of residue 458
THR
PRO
THR
HIS
CYS
Atom CG of residue 26
Atom CA of residue 31
Atom CA of residue 205
Atom N of residue 135
Atom C of residue 575
Atom CA of residue 2673
SER
LYS
Atom C of residue 26
Atom CA of residue 204
Atom CA of residue 468
Atom CA of residue 50
Atom CB of residue 149
Atom CD of residue 80
Atom CA of residue 47
Atom CG of residue 24
Atom OD1 of residue 100
ASN
Atom CA of residue 584
PHE
Atom CA of residue 2672
GLU
ARG
ALA
Atom NZ of residue 48
Atom OE1 of residue 49
ARG
MapReaderWriter11
Atom CA of residue 203
Atom CA of residue 46
Atom CG of residue 544
Atom CE1 of residue 155
ILE
Atom CA of residue 583
Atom CA of residue 529
Atom CA of residue 76
Atom CA of residue 27
Model 5
VAL
ASP
ASN
SER
MET
Atom N of residue 23
LEU
ASP
THR
Atom N of residue 432
SER
GLU
ALA
GLN
Atom O of residue 108
Atom CD of residue 66
Atom CA of residue 72
Atom CA of residue 456
Atom O of residue 131
Atom CA of residue 47
VAL
ARG
Atom CA of residue 541
GLU
Atom CG of residue 48
THR
LEU
Atom CD2 of residue 83
Atom CA of residue 45
Atom CA of residue 41
Atom CA of residue 111
LEU
Atom CA of residue 18
Atom CA of residue 31
THR
TYR
Atom CA of residue 2686
Atom C of residue 127
LEU
ARG
ASP
Atom CA of residue 315
Atom CA of residue 269
ALA
SER
Atom C of residue 485
Atom CA of residue 35
Atom N of residue 450
Atom CG of residue 25
Atom CA of residue 35
Atom CG of residue 81
Atom CA of residue 34
SER
Atom CA of residue 154
Atom CA of residue 29
Atom CA of residue 324
Atom CA of residue 130
Atom CE2 of residue 11
Atom CB of residue 129
Atom CA of residue 583
Atom CA of residue 32
GLN
Atom CG2 of residue 116
GLY
Atom CA of residue 326
Atom CA of residue 119
Atom CA of residue 2643
THR
Atom CA of residue 521
Atom CA of residue 125
Atom NH2 of residue 17
Atom CA of residue 331
CYS
VAL
ASN
Atom CA of residue 457
TYR
Atom CA of residue 112
Atom CA of residue 91
PRO
Atom CB of residue 535
Atom NH1 of residue 61
Atom CA of residue 89
GLY
Atom O of residue 113
Atom CA of residue 520
Atom CA of residue 380
Atom CA of residue 113
Atom CB of residue 83
Atom CA of residue 90
ASN
Atom CA of residue 149
Atom CA of residue 24
ASP
Atom CA of residue 367
TRP
SER
Atom CA of residue 114
Atom CA of residue 20
VAL
ILE
Atom CB of residue 150
Atom CA of residue 353
Atom C of residue 76
ASP
GLU
Atom CA of residue 158
Atom CA of residue 113
Atom CA of residue 245
Atom CA of residue 24
Atom CA of residue 102
ALA
Atom CA of residue 19
ARG
Atom CG of residue 116
GLU
Atom CA of residue 56
Atom CA of residue 514
ILE
Atom CA of residue 434
TYR
Atom CE of residue 59
ARG
GLN
LEU
Atom CG2 of residue 117
Atom CA of residue 119
Atom OE2 of residue 113
MET
TRP
Atom NZ of residue 78
TRP
THR
Atom CA of residue 106
LEU
Chain  
Atom CA of residue 59
Atom CA of residue 500
MapReaderWriter6
Atom O of residue 112
Atom CA of residue 78
LYS
Atom CA of residue 432
Atom OG1 of residue 91
Atom CA of residue 12
Atom CA of residue 55
Atom CA of residue 97
Atom CA of residue 50
PHE
ASP
Atom CD of residue 13
Atom CA of residue 74
Atom N of residue 99
SER
Atom CA of residue 113
THR
Atom CA of residue 101
Atom N of residue 65
ASN
THR
TYR
Atom CG of residue 515
GLU
Atom CA of residue 100
Atom CA of residue 471
HIS
Atom N of residue 93
ASP
Atom C of residue 12
LYS
PRO
Atom C of residue 134
SER
Atom CA of residue 63
Atom CA of residue 88
SER
Atom CA of residue 133
SER
Atom CA of residue 51
ARG
Atom CB of residue 133
Atom CA of residue 95
THR
Atom O of residue 101
Atom CA of residue 118
SER
Atom NH2 of residue 115
Atom C of residue 25
Atom O of residue 51
Atom CA of residue 513
Atom N of residue 574
LEU
PRO
Atom CA of residue 52
Atom CA of residue 48
Atom CA of residue 122
LEU
Atom CA of residue 2660
Atom CA of residue 152
Atom CA of residue 264
Atom CA of residue 18
ASN
GLY
THR
GLY
Atom CA of residue 47
Atom CA of residue 121
Atom O of residue 105
Atom CA of residue 500
LYS
THR
GLU
LYS
Atom CH2 of residue 41
GLN
GLY
Atom CA of residue 272
Atom CA of residue 46
Atom CA of residue 109
Atom CA of residue 341
Atom CA of residue 120
Atom CA of residue 45
Atom CA of residue 108
Atom CA of residue 340
Atom CA of residue 119
PRO
CYS
Atom CD of residue 35
Atom CA of residue 366
Atom CA of residue 128
Atom CA of residue 44
Atom CA of residue 365
Atom OE1 of residue 126
Atom CG of residue 155
Atom CA of residue 182
Atom CB of residue 33
Atom CA of residue 526
Atom CA of residue 364
Atom OG1 of residue 485
Atom CA of residue 126
ALA
Atom CA of residue 363
GLY
LEU
Atom CA of residue 19
Atom CA of residue 40
Atom CA of residue 103
Atom CA of residue 335
Atom CA of residue 114
Atom OG of residue 572
Atom CA of residue 433
Atom CA of residue 2639
Atom CB of residue 88
Atom CA of residue 39
Atom C of residue 445
HIS
Atom CA of residue 4
Atom CA of residue 467
LYS
Atom CA of residue 115
Atom CA of residue 327
Atom O of residue 126
Atom C of residue 23
Atom C of residue 87
Chain B
Atom CA of residue 74
Atom CB of residue 139
Atom CB of residue 86
Atom CA of residue 366
ARG
Atom CA of residue 103
ASP
ARG
Atom CA of residue 365
ASP
GLU
Atom CA of residue 55
Atom N of residue 22
Atom CE of residue 39
Atom CA of residue 19
Atom CA of residue 195
ALA
GLU
Atom O of residue 24
ALA
ILE
Atom CA of residue 35
HIS
ASP
MET
Atom CB of residue 8
Atom NE2 of residue 130
ARG
Atom O of residue 39
ARG
Atom C of residue 39
Atom CA of residue 2653
Atom CB of residue 568
ILE
LEU
Atom CA of residue 70
ASP
Atom CA of residue 92
ASN
GLU
ILE
ASP
Atom CA of residue 90
Atom CB of residue 476
MET
Atom N of residue 84
Atom O of residue 37
Atom CG of residue 114
THR
Atom CA of residue 55
THR
MET
LEU
LEU
GLY
Atom CG2 of residue 67
LEU
Atom OG1 of residue 8
LEU
Atom CA of residue 27
Atom CA of residue 85
LYS
PHE
ARG
Atom CA of residue 37
Atom CA of residue 557
Atom CA of residue 465
GLU
THR
ALA
Atom CA of residue 77
GLN
Atom CA of residue 36
Atom CA of residue 70
SER
ARG
Atom CA of residue 82
SER
Atom CA of residue 81
HIS
Atom CA of residue 7
Atom CA of residue 42
Atom CA of residue 445
PRO
ASP
Atom CA of residue 79
Atom CA of residue 558
GLY
ALA
LEU
Atom CA of residue 152
Atom CA of residue 326
THR
TRP
Atom NZ of residue 121
Atom CA of residue 306
Atom CA of residue 2684
Atom CA of residue 103
GLU
GLY
ALA
Atom CA of residue 70
GLY
ASN
THR
Atom CA of residue 98
ASN
Atom CD1 of residue 128
Atom CA of residue 68
Atom CA of residue 194
SER
LEU
Atom O of residue 98
Atom CA of residue 32
PHE
LEU
Atom CA of residue 31
Atom CA of residue 151
VAL
TYR
Atom CA of residue 124
MET
ALA
Atom CA of residue 51
Atom CA of residue 146
Atom CA of residue 30
Atom OD1 of residue 93
Atom CE2 of residue 155
Atom CB of residue 534
Atom CE1 of residue 77
GLY
ALA
LYS
ILE
Atom CA of residue 568
ARG
Atom C of residue 122
Atom CG2 of residue 123
Atom CA of residue 47
ASN
Atom CA of residue 2640
ALA
PRO
Atom CA of residue 131
Atom N of residue 87
LEU
Atom CA of residue 556
VAL
VAL
LYS
THR
ALA
Atom N of residue 97
Atom CA of residue 44
Atom OE2 of residue 145
Atom CA of residue 159
Atom CA of residue 31
Atom CA of residue 118
ILE
Atom CD2 of residue 11
Atom CA of residue 112
Atom CA of residue 90
Atom O of residue 37
Atom CA of residue 38
Atom CA of residue 15
MET
Atom CA of residue 42
Atom CA of residue 90
Atom CA of residue 120
Atom CA of residue 140
MET
Atom CA of residue 93
GLN
Atom CA of residue 2689
Atom CA of residue 9
Atom CA of residue 150
LEU
MET
Atom CA of residue 501
Atom CA of residue 482
Atom CA of residue 10
Atom CB of residue 92
Atom CA of residue 38
Atom CA of residue 437
SER
Atom CD of residue 13
UpdateRigidBodyMembers11
Atom CD2 of residue 26
Atom CA of residue 102
Atom CA of residue 153
ASN
Atom NE1 of residue 41
Atom CA of residue 97
Atom CA of residue 62
Atom ND2 of residue 567
Atom CD2 of residue 120
GLU
GLN
Atom CA of residue 507
Atom N of residue 78
Atom CA of residue 150
Atom OD1 of residue 508
Atom CA of residue 260
Atom CA of residue 33
LYS
Atom CA of residue 575
Atom CG of residue 80
VAL
Atom CB of residue 568
ILE
ARG
Atom CA of residue 110
LYS
Atom CA of residue 137
THR
Atom CA of residue 29
LYS
Atom CE2 of residue 11
Atom CA of residue 152
THR
GLY
Atom CA of residue 28
Atom N of residue 28
Atom CA of residue 116
ILE
Atom CA of residue 528
TRP
ARG
SER
ARG
GLY
HIS
Atom CA of residue 91
Atom O of residue 5
Atom CA of residue 240
Atom CA of residue 78
GLU
Atom CG of residue 114
Atom CA of residue 105
Atom CA of residue 112
Atom O of residue 106
LEU
Atom CA of residue 259
Atom CA of residue 32
Atom CA of residue 110
VAL
Atom CB of residue 26
Atom CA of residue 519
TYR
ILE
Atom CB of residue 587
Atom C of residue 91
Atom O of residue 12
LEU
Atom CE1 of residue 20
PRO
Atom O of residue 448
VAL
PRO
ILE
Atom O of residue 466
LEU
Atom CA of residue 64
Atom CB of residue 136
Atom CD of residue 83
Atom CA of residue 153
Atom CA of residue 13
Atom CA of residue 23
ASP
Atom CA of residue 131
Atom CA of residue 364
SER
Atom CA of residue 122
TYR
Atom CA of residue 89
MET
ILE
Atom CA of residue 94
Atom CA of residue 526
THR
TYR
Atom CA of residue 82
ARG
THR
Atom CA of residue 525
LYS
Atom CA of residue 6
VAL
PHE
VAL
Atom CA of residue 222
THR
VAL
Atom CG of residue 585
GLU
ILE
Atom CA of residue 362
ASP
Atom CA of residue 9
VAL
PHE
TRP
SER
Atom CA of residue 59
Atom C of residue 491
Atom CA of residue 12
VAL
Atom CA of residue 152
Atom CA of residue 81
LEU
Atom CA of residue 2657
Atom CA of residue 560
TYR
Atom CA of residue 189
Chain  
1tdx.pdb
Atom CA of residue 40
Atom CA of residue 102
Atom CA of residue 241
Atom CD2 of residue 550
Atom CA of residue 30
Atom CA of residue 121
Atom CE of residue 481
LEU
Atom CA of residue 7
Atom CD1 of residue 116
Atom CA of residue 6
Atom CA of residue 4
Atom CA of residue 452
Atom N of residue 108
PRO
Atom O of residue 20
GLN
GLN
CoarseCC5
Atom CA of residue 486
Atom N of residue 149
Atom CA of residue 2681
THR
Atom CD1 of residue 22
Atom O of residue 514
ALA
PHE
THR
Atom CA of residue 135
Atom CA of residue 319
PHE
VAL
ILE
Atom CA of residue 582
Atom CA of residue 581
Atom CA of residue 106
Atom CA of residue 444
ASN
LYS
GLY
PHE
Atom CA of residue 371
Atom CA of residue 76
LEU
TYR
Atom CA of residue 251
Atom CA of residue 20
Atom CA of residue 76
Atom CA of residue 62
Atom CA of residue 130
Atom CA of residue 130
Atom C of residue 11
Atom CA of residue 23
Atom CA of residue 144
Atom OE2 of residue 9
ASP
GLU
GLN
Atom CA of residue 86
Atom CA of residue 2658
Atom CB of residue 117
Atom CA of residue 128
Atom CA of residue 84
PRO
Atom CA of residue 476
Atom CA of residue 132
Atom C of residue 30
Atom CA of residue 127
ASP
Atom C of residue 150
Atom CA of residue 124
PRO
SER
Atom CA of residue 119
ASN
Atom CA of residue 36
Atom CA of residue 118
Atom CA of residue 368
Atom CA of residue 73
Atom N of residue 128
ASP
Atom CA of residue 117
LYS
Atom CA of residue 116
VAL
LEU
Atom C of residue 463
Atom CA of residue 115
Atom CA of residue 449
LYS
Atom CB of residue 438
Atom CA of residue 113
Atom O of residue 111
LEU
Atom CA of residue 51
Atom O of residue 108
ILE
Atom CA of residue 111
Atom CA of residue 50
Atom CA of residue 57
ARG
Atom CA of residue 110
ARG
Atom CA of residue 63
Atom CA of residue 49
Atom CA of residue 435
Atom CA of residue 109
Atom CG1 of residue 563
Atom N of residue 489
GLU
Atom CG1 of residue 45
Atom CA of residue 28
Atom CA of residue 48
Atom CA of residue 83
Atom CA of residue 434
Atom CA of residue 108
Atom ND2 of residue 567
Atom CA of residue 80
MET
Atom CA of residue 79
Atom CA of residue 25
normalize rigid bodies
Atom NH1 of residue 487
VAL
LEU
Atom O of residue 525
Atom CA of residue 2666
Atom CA of residue 99
Atom CA of residue 106
ASP
TYR
Atom CA of residue 72
Atom CA of residue 105
Atom CA of residue 103
LYS
Atom CA of residue 5
Atom CA of residue 69
ALA
Atom CA of residue 68
Atom CA of residue 94
LEU
Atom CA of residue 67
Atom CA of residue 93
LEU
Atom CG of residue 433
Atom CA of residue 92
Atom CA of residue 2675
Atom CE1 of residue 144
Atom CA of residue 91
Atom CB of residue 75
Atom CA of residue 78
PRO
Atom CA of residue 89
Atom CA of residue 157
Atom CA of residue 88
Atom CG1 of residue 107
Atom CA of residue 2688
Atom CA of residue 84
Atom N of residue 95
Atom SD of residue 498
ARG
Atom CA of residue 83
SER
Atom CA of residue 80
Atom OH of residue 137
Atom CA of residue 62
Atom CA of residue 79
Atom CD1 of residue 77
Atom CA of residue 61
PRO
Atom CA of residue 78
Atom CA of residue 146
GLU
GLN
Atom CA of residue 77
Atom CA of residue 145
Atom CA of residue 62
Atom CB of residue 16
Atom CA of residue 76
SER
Atom CA of residue 86
LEU
GLY
VAL
Atom C of residue 559
Atom CA of residue 135
Atom CA of residue 117
HIS
Atom O of residue 496
ILE
VAL
LEU
Atom CA of residue 126
THR
Atom CA of residue 203
Atom CA of residue 82
Atom CG1 of residue 90
Atom CZ of residue 448
Atom CA of residue 71
ASN
python stream
GLY
ALA
GLN
Atom CA of residue 235
Atom CA of residue 538
Atom CA of residue 359
Atom O of residue 518
PRO
VAL
ILE
Atom N of residue 72
ALA
GLY
ILE
TYR
Atom C of residue 527
Atom CG2 of residue 94
ASP
THR
Atom CA of residue 349
VAL
PHE
Atom O of residue 58
VAL
Atom O of residue 69
Atom CA of residue 72
Atom CA of residue 73
Atom CA of residue 151
Atom CA of residue 45
Atom CA of residue 53
Atom CA of residue 2635
Atom ND2 of residue 543
Atom CA of residue 5
PRO
Atom CA of residue 502
Atom CA of residue 435
ASP
MET
Atom N of residue 112
Atom CA of residue 473
Atom CA of residue 54
Atom CG of residue 445
Atom CD2 of residue 85
PRO
Atom CA of residue 335
GLU
Atom CA of residue 473
ALA
LEU
LYS
Atom CA of residue 66
Atom NH1 of residue 147
ILE
VAL
ARG
Atom CA of residue 13
Atom CA of residue 44
Atom CB of residue 473
Atom CA of residue 65
Atom C of residue 46
Model 48
Atom CA of residue 276
GLN
Atom CA of residue 43
Atom CA of residue 331
Atom CA of residue 110
Atom CA of residue 460
Atom CA of residue 501
Atom CA of residue 564
Atom CD of residue 76
Atom CG of residue 544
Atom CA of residue 371
ARG
MET
LEU
VAL
Atom CA of residue 156
Atom OE2 of residue 111
Atom CD2 of residue 535
Atom CA of residue 565
Atom CA of residue 372
ASP
SER
LYS
Atom O of residue 92
SER
TRP
Atom CA of residue 370
PHE
VAL
ALA
Atom OD1 of residue 88
THR
Atom CA of residue 95
Atom NE of residue 77
LEU
Atom CA of residue 3
Atom CA of residue 92
ALA
Atom CA of residue 40
Atom CA of residue 59
P1
Atom CA of residue 129
Atom CA of residue 38
Atom OG of residue 471
GLN
Atom O of residue 136
PRO
Atom O of residue 562
ALA
MapReaderWriter2
Atom CZ of residue 585
GLY
SER
Atom C of residue 83
VAL
VAL
ARG
THR
GLY
Atom CA of residue 23
ALA
Atom CA of residue 134
TYR
Atom CA of residue 482
Atom CA of residue 33
Atom CA of residue 69
Atom C of residue 47
LEU
Atom CD1 of residue 82
Atom CA of residue 104
GLY
Atom CA of residue 445
Atom CA of residue 490
Atom O of residue 85
Atom CA of residue 29
THR
Atom CA of residue 60
LEU
Atom N of residue 478
GLU
Atom NH1 of residue 84
Atom N of residue 145
LYS
VAL
PHE
Atom CA of residue 23
ILE
ASP
Atom OD2 of residue 433
GLN
Atom CA of residue 536
GLU
Atom N of residue 132
LEU
VAL
LEU
Atom CD1 of residue 6
LEU
ARG
PHE
Atom CA of residue 65
SER
Atom CA of residue 128
Atom CA of residue 30
MET
TYR
Atom N of residue 438
Atom CA of residue 57
Atom N of residue 31
Atom CD2 of residue 539
LYS
HIS
Atom CA of residue 16
Atom CB of residue 517
THR
Atom O of residue 27
Atom N of residue 142
Atom C of residue 62
1z5s_C.pdb
Atom CA of residue 212
GLY
Atom CA of residue 134
Atom CD2 of residue 57
Atom O of residue 58
VAL
Model 33
Atom CA of residue 50
GLY
Atom CA of residue 518
Atom CA of residue 65
Atom CA of residue 45
ILE
MET
ALA
Atom CA of residue 2667
ARG
Atom C of residue 113
SER
Atom CA of residue 121
Atom CA of residue 49
ALA
TYR
Atom CA of residue 80
Atom CA of residue 476
LEU
THR
ASN
GLU
SER
Atom CB of residue 52
CoarseCC9
Atom CA of residue 555
Atom CA of residue 108
Atom CG2 of residue 4
Atom CG1 of residue 587
Atom CA of residue 127
GLN
GLU
Atom N of residue 61
Atom N of residue 5
VAL
ARG
Atom CA of residue 60
Atom CG2 of residue 457
Atom CA of residue 24
Atom CA of residue 579
GLN
Atom CE1 of residue 575
Atom C of residue 515
Atom CA of residue 480
ILE
Atom CA of residue 118
LYS
Atom CA of residue 2675
LYS
Atom CA of residue 136
Atom N of residue 120
Atom CA of residue 552
Atom CA of residue 29
LEU
Atom CA of residue 479
ARG
ALA
Atom CA of residue 2674
GLU
ASP
Atom CA of residue 80
VAL
ASP
Atom CA of residue 107
ALA
Atom CA of residue 125
LEU
ILE
Atom CZ of residue 27
Atom CA of residue 204
Atom CA of residue 133
PHE
Atom CA of residue 527
ILE
Atom CA of residue 148
Atom CA of residue 22
GLU
ASP
Atom CA of residue 130
LYS
PRO
Atom CG2 of residue 7
Atom CA of residue 131
Atom CA of residue 64
THR
Atom CA of residue 129
Atom CA of residue 79
ASP
Atom CA of residue 78
PHE
LEU
Atom CA of residue 113
Atom CA of residue 126
Atom CA of residue 100
Atom O of residue 83
Atom CA of residue 75
LYS
Atom CA of residue 10
Atom CA of residue 74
Atom CA of residue 123
Atom N of residue 28
Atom N of residue 60
Atom CA of residue 73
LEU
ARG
Atom CA of residue 2632
Atom CA of residue 67
GLU
Atom C of residue 8
Atom O of residue 8
Atom CA of residue 143
Atom CA of residue 36
Atom CA of residue 2631
Atom CA of residue 107
VAL
TRP
VAL
GLU
Atom CA of residue 117
ASP
ASP
ARG
Atom CB of residue 25
Atom CB of residue 58
Atom CA of residue 16
GLU
Atom CA of residue 115
Atom CG2 of residue 45
PRO
LYS
GLY
MET
LEU
VAL
Atom CA of residue 45
LYS
LEU
Atom CA of residue 106
Atom CA of residue 89
Atom OE1 of residue 63
ILE
GLU
PRO
Chain C
PRO
ALA
ASP
THR
ASP
Atom CA of residue 108
LEU
ALA
Atom CA of residue 107
Atom CB of residue 109
HIS
GLU
THR
GLY
Atom CA of residue 562
Atom CB of residue 487
TRP
LYS
PHE
VAL
PRO
Atom CA of residue 450
Atom CA of residue 104
GLY
Atom CA of residue 78
Atom CA of residue 2655
Atom CA of residue 2654
Atom CB of residue 14
Atom CG of residue 108
Atom CA of residue 479
Atom CA of residue 439
GLU
Atom CA of residue 575
CYS
Atom CA of residue 2687
Atom CA of residue 95
Atom CA of residue 94
Atom CA of residue 16
Atom CA of residue 2686
Atom CB of residue 481
LEU
MET
Atom CB of residue 495
Atom OE1 of residue 139
Atom CA of residue 93
LEU
Atom CA of residue 92
Atom CA of residue 116
Atom CA of residue 136
Atom CA of residue 8
ALA
Atom CD2 of residue 513
Atom CA of residue 517
Atom CA of residue 52
VAL
Atom CA of residue 91
Atom CA of residue 73
ASP
ILE
Atom CD1 of residue 580
Atom C of residue 16
Atom CA of residue 4
Atom CA of residue 440
Atom CA of residue 515
Atom CA of residue 26
Atom CB of residue 132
ILE
Atom CA of residue 23
LEU
Atom O of residue 36
Atom CA of residue 133
Atom CA of residue 540
Atom CA of residue 131
Atom CA of residue 438
Atom CA of residue 44
ALA
Atom C of residue 70
Atom CA of residue 485
LYS
ARG
SER
Atom CA of residue 43
LEU
Atom OE1 of residue 444
ALA
TRP
LEU
Atom CA of residue 87
Atom CA of residue 340
Atom CA of residue 43
Atom CA of residue 87
Atom CA of residue 86
Atom CD of residue 122
THR
Atom CA of residue 484
LEU
GLY
ASN
LEU
Atom CA of residue 57
Atom CA of residue 86
Atom OH of residue 11
Atom CA of residue 2662
Atom CA of residue 483
LEU
Atom CB of residue 578
VAL
VAL
Atom CA of residue 91
Atom CA of residue 85
Atom CD2 of residue 128
GLN
Atom CA of residue 2645
ARG
Atom CA of residue 458
Atom C of residue 124
Atom CB of residue 48
VAL
LEU
GLU
Atom CZ of residue 149
Atom CA of residue 90
Atom CA of residue 84
Atom CZ of residue 577
Atom CA of residue 311
LYS
LEU
Atom N of residue 54
Atom CA of residue 55
Atom CA of residue 83
Chain B
VAL
Atom CA of residue 2676
TYR
TYR
Atom CA of residue 70
Atom CG of residue 46
Atom O of residue 22
Atom CA of residue 54
Atom CE of residue 445
Atom CA of residue 82
LEU
Atom CB of residue 103
Atom N of residue 493
SER
Atom CA of residue 54
TRP
LEU
Atom CA of residue 53
Atom CA of residue 82
Atom CA of residue 81
ALA
GLY
Atom CA of residue 14
ARG
GLU
ASN
ILE
Atom CA of residue 88
Atom CA of residue 81
Atom O of residue 101
Atom CA of residue 80
ILE
Atom CA of residue 1
TYR
Atom CA of residue 363
Atom N of residue 456
Atom CA of residue 139
Atom CD2 of residue 98
Atom N of residue 122
Atom CA of residue 79
LYS
THR
ALA
Atom O of residue 97
Atom CA of residue 26
ASP
python stream
GLY
Atom NE2 of residue 11
LYS
MET
Atom CA of residue 474
THR
Atom CA of residue 77
LYS
Atom CA of residue 35
Atom O of residue 99
Atom CZ of residue 114
Atom CA of residue 76
Atom OE1 of residue 548
PRO
Atom CA of residue 83
GLU
GLY
Atom CA of residue 517
Atom CA of residue 409
Atom CG2 of residue 7
Atom O of residue 22
LEU
Atom CA of residue 34
Atom CA of residue 127
PRO
Atom CA of residue 38
Atom CA of residue 66
CYS
Atom O of residue 41
Atom CA of residue 101
SER
Atom CA of residue 45
Atom CA of residue 65
Atom CA of residue 127
Atom CG of residue 136
Atom CA of residue 471
VAL
Atom O of residue 110
GLU
Atom CA of residue 100
Atom CB of residue 434
Atom CA of residue 470
Atom CA of residue 124
GLN
Atom CA of residue 51
Atom CA of residue 38
Atom CA of residue 111
Atom CA of residue 469
GLY
Atom CA of residue 123
LEU
PHE
Atom O of residue 495
GLU
ASN
Atom O of residue 480
Atom CA of residue 139
Atom CA of residue 203
Atom CA of residue 468
Atom C of residue 570
Atom O of residue 121
Atom OE1 of residue 459
Atom CA of residue 2680
Atom CG1 of residue 136
MET
Atom CB of residue 515
Atom CB of residue 113
DensityMap866
Atom C of residue 446
Atom CA of residue 496
Atom CA of residue 467
Atom CD1 of residue 16
GLN
ILE
ASP
PRO
LEU
Atom CA of residue 137
Atom CA of residue 294
Atom CA of residue 466
GLN
Atom CA of residue 59
Atom CA of residue 119
SER
Atom CA of residue 58
Atom CG of residue 475
ALA
Atom CA of residue 117
Atom OE2 of residue 113
VAL
Atom C of residue 66
Atom CA of residue 517
ASP
Atom CA of residue 56
Atom CA of residue 116
LEU
Atom CA of residue 116
Atom CD of residue 113
VAL
Atom CA of residue 114
Atom CA of residue 453
ALA
Atom CA of residue 149
Atom CA of residue 105
Atom CA of residue 78
Atom CA of residue 73
LEU
PHE
Atom CG of residue 119
Atom C of residue 43
PRO
Atom CA of residue 474
Atom CA of residue 16
Atom CG of residue 113
Atom CA of residue 55
GLY
Atom CA of residue 10
Atom CA of residue 13
Atom CA of residue 69
VAL
Atom CA of residue 138
Atom CA of residue 136
Atom CA of residue 552
GLY
Atom CA of residue 136
Atom CB of residue 7
Atom CA of residue 449
MET
VAL
GLU
ASP
Atom CA of residue 123
Atom CA of residue 52
Atom CA of residue 71
ASN
Atom CA of residue 463
ASP
Atom CA of residue 25
Atom CA of residue 83
Atom CA of residue 41
ARG
Atom CA of residue 458
HIS
Atom CD of residue 515
Atom CA of residue 84
LYS
Atom CA of residue 115
Atom CA of residue 556
Atom O of residue 53
Atom CA of residue 238
THR
Atom CA of residue 503
Atom CA of residue 201
VAL
Atom CA of residue 432
Atom CA of residue 104
Atom CA of residue 510
Atom CA of residue 208
SER
Atom CA of residue 89
Atom OE2 of residue 32
Atom CA of residue 500
MET
Atom CB of residue 566
Atom CA of residue 13
Atom CA of residue 198
GLN
Atom CA of residue 36
Atom O of residue 74
Atom CA of residue 346
Atom CA of residue 50
LEU
THR
PRO
GLU
Atom OG1 of residue 511
Atom C of residue 109
ALA
SER
Atom CA of residue 34
Atom CA of residue 71
Atom CZ of residue 137
Atom N of residue 85
Atom CA of residue 82
Atom CA of residue 2637
TYR
Atom CA of residue 540
Atom CA of residue 42
ARG
Atom OH of residue 68
LEU
MET
SER
PHE
Atom CA of residue 33
Atom CA of residue 30
Atom CA of residue 566
Atom CA of residue 2638
Atom O of residue 471
Atom CA of residue 35
ALA
LYS
Atom CB of residue 441
Atom CA of residue 36
TYR
Atom CA of residue 109
ILE
Atom CA of residue 45
Atom CA of residue 128
PRO
Atom CG2 of residue 8
Atom CA of residue 8
Atom C of residue 484
Atom OD2 of residue 93
Atom CA of residue 81
Atom CA of residue 261
Atom CA of residue 66
Atom CA of residue 41
GLU
Atom CB of residue 484
Atom CA of residue 114
ASN
Atom C of residue 72
MET
GLU
Atom N of residue 103
LEU
HIS
Atom CA of residue 20
PHE
Atom CA of residue 17
Atom CA of residue 57
ILE
Atom CA of residue 114
Atom CG of residue 19
Atom CA of residue 94
Atom CA of residue 52
ASP
ASN
Atom O of residue 30
MapReaderWriter25
Atom CA of residue 14
PRO
Atom C of residue 540
Atom CA of residue 76
Atom CA of residue 243
LEU
Atom CA of residue 508
Atom CG of residue 543
Atom CA of residue 10
GLY
ARG
Atom CA of residue 10
Atom CA of residue 8
Atom CA of residue 31
Atom CA of residue 396
Atom CA of residue 73
Atom CA of residue 7
Atom CA of residue 6
Atom OE1 of residue 105
Atom CA of residue 46
Atom N of residue 47
GLU
Atom CA of residue 86
PHE
Model 4
GLU
TYR
Atom C of residue 125
Atom CA of residue 88
Atom N of residue 97
Atom CA of residue 282
ILE
LEU
Atom CA of residue 94
Atom CA of residue 85
Atom CA of residue 130
GLY
GLY
Atom CA of residue 131
Atom CA of residue 37
THR
Atom CA of residue 549
Atom CA of residue 12
Atom CA of residue 2688
Atom CA of residue 36
ALA
VAL
Atom CA of residue 6
Atom CA of residue 93
Atom N of residue 109
Atom CA of residue 2686
Atom NE2 of residue 578
ASN
Atom CA of residue 99
SER
Atom CA of residue 63
ASP
Atom CA of residue 2637
Atom CA of residue 126
Atom CA of residue 2636
THR
ASP
PRO
CYS
Atom CA of residue 16
Atom CD of residue 530
Atom CA of residue 124
LYS
Atom O of residue 58
ARG
Atom CB of residue 143
Atom CA of residue 32
Atom CA of residue 123
Atom CA of residue 99
Atom CA of residue 52
Atom CA of residue 362
Atom CG1 of residue 107
LYS
Atom CD2 of residue 82
Atom C of residue 122
ASP
Atom CA of residue 451
Atom CA of residue 123
MET
Atom CA of residue 19
Atom CA of residue 117
MET
VAL
ILE
Atom CA of residue 88
Atom CA of residue 2640
Atom CA of residue 15
Atom CA of residue 105
Atom CA of residue 170
GLY
Atom CA of residue 9
Atom CA of residue 56
Atom CE1 of residue 82
SER
Atom CD1 of residue 447
Atom CA of residue 11
Atom CA of residue 166
Atom CD2 of residue 86
Atom CA of residue 134
Atom CA of residue 24
Atom CA of residue 163
ASN
Atom CA of residue 27
Atom CA of residue 105
CYS
PHE
mol_2 rigid body rigid body positions
LEU
PRO
Atom CA of residue 63
Atom CA of residue 292
LEU
Atom NE2 of residue 491
Atom CA of residue 2687
Atom CA of residue 101
Atom CA of residue 291
GLU
ILE
Atom CA of residue 434
Atom CA of residue 490
Atom CB of residue 121
ARG
ARG
Atom CA of residue 584
Atom CB of residue 575
SER
GLU
Atom N of residue 512
Atom CA of residue 75
Atom CA of residue 471
Atom CA of residue 117
ALA
THR
PHE
Atom NE of residue 77
Atom CA of residue 72
LEU
LYS
GLY
ASN
Atom CA of residue 67
ILE
Atom CA of residue 440
Atom CA of residue 66
Atom CA of residue 65
Atom CA of residue 64
Atom CA of residue 61
Atom CA of residue 12
Atom CA of residue 60
Atom CA of residue 57
Atom CA of residue 58
Atom CA of residue 57
LEU
Atom CA of residue 56
Atom CA of residue 2638
Atom CA of residue 54
LEU
Atom CA of residue 2668
Atom CA of residue 522
Atom CA of residue 109
GLY
LYS
VAL
ALA
Atom CA of residue 49
Atom CA of residue 586
Atom CA of residue 577
MET
Atom CA of residue 48
ASN
MET
Atom N of residue 39
GLN
LEU
GLY
Atom CZ2 of residue 104
Atom CA of residue 84
Atom CA of residue 114
Atom CA of residue 87
GLU
VAL
ALA
LEU
Atom CB of residue 433
Atom CA of residue 198
Atom CA of residue 522
Atom CA of residue 43
ASN
Atom CA of residue 2
Atom C of residue 125
THR
GLU
ASP
PRO
ARG
ASN
Atom CA of residue 42
Atom CB of residue 144
Atom CA of residue 283
PHE
ALA
PHE
VAL
Atom CA of residue 40
Atom CA of residue 42
VAL
ALA
Atom N of residue 556
Atom CA of residue 112
Atom O of residue 114
GLN
Atom CA of residue 36
Atom O of residue 574
Atom CA of residue 132
HIS
TRP
Atom CA of residue 178
Atom CA of residue 95
LEU
Atom CA of residue 31
Atom CA of residue 520
Atom O of residue 92
Atom CB of residue 90
LEU
VAL
MET
THR
Atom CA of residue 33
Atom CE of residue 481
SER
Atom CA of residue 30
Atom CA of residue 535
Atom CA of residue 2670
Atom CA of residue 443
ALA
CYS
ALA
Atom CA of residue 150
Atom CA of residue 8
CYS
Atom CA of residue 34
UpdateRigidBodyMembers5
ASP
Atom CB of residue 70
Atom CA of residue 138
Atom CD1 of residue 125
Atom CD of residue 154
THR
GLU
Atom CE of residue 36
Atom CD1 of residue 34
TYR
Atom CA of residue 555
Atom CA of residue 150
Atom CA of residue 51
LYS
Atom CA of residue 493
Atom CA of residue 6
Atom NE of residue 29
Atom CA of residue 67
Atom CD1 of residue 26
GLU
Atom OD1 of residue 130
Atom CA of residue 2655
Atom CA of residue 88
Atom CB of residue 32
Atom CA of residue 197
Atom CA of residue 86
THR
GLU
Atom CG of residue 69
GLU
LEU
Atom CA of residue 80
Atom CA of residue 165
NullModifier0
PHE
Atom OG1 of residue 65
ILE
Atom N of residue 437
Atom CA of residue 79
HIS
THR
LYS
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom O of residue 63
Atom CA of residue 8
LEU
Atom N of residue 474
Atom CB of residue 67
THR
Atom CA of residue 539
ILE
Atom O of residue 28
Atom CA of residue 269
Atom C of residue 103
Atom CA of residue 90
CYS
PHE
ILE
CYS
Atom CB of residue 495
Atom CA of residue 80
ILE
GLN
Atom CA of residue 529
Atom CA of residue 361
P2
THR
Atom CB of residue 96
GLN
PRO
ARG
Atom CA of residue 500
Atom CA of residue 2693
SER
Atom O of residue 83
PRO
Atom CA of residue 15
Atom CA of residue 97
ARG
GLN
ASN
ILE
ALA
PRO
Atom N of residue 74
ALA
LYS
PHE
Atom CA of residue 5
Atom CA of residue 92
GLY
GLN
Atom CA of residue 8
Atom CA of residue 518
PRO
Atom O of residue 47
Atom CA of residue 2677
Atom SD of residue 48
PRO
Atom CA of residue 76
ASN
Atom OD1 of residue 462
Atom CA of residue 22
Atom CA of residue 65
SER
Atom CA of residue 3
GLU
Atom CA of residue 145
Atom CA of residue 74
Atom CG of residue 114
Atom CA of residue 509
Atom CA of residue 81
LEU
Atom C of residue 562
Atom C of residue 86
CoarseCC4
Atom C of residue 143
Atom CA of residue 82
Atom CG of residue 103
Atom CA of residue 2633
LEU
Atom CA of residue 2
ASN
Atom CD1 of residue 581
GLY
SER
VAL
Atom CA of residue 2671
Atom CA of residue 151
Atom CA of residue 13
Atom CA of residue 229
Atom CA of residue 2670
ARG
Atom N of residue 70
Atom CZ2 of residue 41
Atom N of residue 25
Atom CA of residue 91
LYS
GLN
LYS
Atom CZ of residue 536
GLU
ALA
Atom CA of residue 24
PHE
Atom CA of residue 149
Atom CA of residue 2669
Atom CA of residue 381
MET
Atom N of residue 24
Atom CA of residue 434
Atom CA of residue 380
Atom CA of residue 568
Atom CA of residue 434
PRO
LYS
HIS
Chain A
LYS
Atom OE1 of residue 35
Atom CZ3 of residue 103
Atom CA of residue 69
Atom CA of residue 378
Atom N of residue 20
Atom CA of residue 470
Atom CA of residue 17
Atom CA of residue 195
Atom N of residue 2
Atom CA of residue 469
Atom CA of residue 194
Atom CA of residue 125
Atom N of residue 514
Atom CA of residue 193
Atom CA of residue 375
ARG
GLU
Atom CA of residue 553
ALA
Atom CA of residue 373
Atom CA of residue 43
PRO
VAL
LYS
Atom CA of residue 189
Atom CA of residue 371
VAL
ALA
ALA
Atom CA of residue 119
Atom CA of residue 550
Atom CA of residue 127
LYS
VAL
Atom CA of residue 46
Atom CA of residue 188
Atom CG of residue 16
Atom C of residue 532
Atom CE2 of residue 144
LYS
Atom CA of residue 549
ALA
Atom N of residue 468
Atom CE2 of residue 512
Atom CZ3 of residue 104
ARG
Atom CA of residue 35
Atom CA of residue 461
NormalizeRotation5
GLU
Atom CA of residue 130
SER
Atom CA of residue 459
Atom CA of residue 52
Atom CA of residue 13
Atom CB of residue 467
Atom CB of residue 15
Atom OD2 of residue 465
ALA
Atom CA of residue 458
Atom CA of residue 43
LYS
Atom CA of residue 457
ALA
Atom CD2 of residue 20
Atom CA of residue 2636
Atom N of residue 20
Atom C of residue 22
Atom C of residue 569
GLN
Atom CB of residue 84
Atom CA of residue 2632
ASP
Atom CA of residue 92
Atom CA of residue 28
Atom O of residue 461
VAL
Atom CA of residue 557
LEU
Atom CA of residue 168
Atom CA of residue 130
Atom CA of residue 115
GLU
Atom CA of residue 153
Atom CA of residue 82
LYS
Atom CA of residue 40
PRO
Atom CA of residue 135
VAL
MET
Atom CA of residue 151
Atom CA of residue 420
LYS
LYS
PHE
LEU
Atom CD2 of residue 34
Atom CA of residue 2689
Atom CA of residue 2669
Atom CA of residue 442
Atom C of residue 32
Atom CD of residue 577
Atom CA of residue 118
Atom CA of residue 23
Atom CA of residue 497
Atom CG of residue 114
TYR
python stream rigid body
Atom CA of residue 117
Atom CA of residue 122
Atom CA of residue 2650
ASN
ASP
normalize rigid bodies
Atom CA of residue 504
Atom O of residue 127
PHE
Atom C of residue 560
Atom CB of residue 140
ASP
Atom CB of residue 507
Atom CA of residue 121
Atom CA of residue 2649
CYS
PRO
LYS
Atom C of residue 130
Atom OE1 of residue 526
Atom CA of residue 105
SER
Atom CA of residue 508
ARG
Atom CA of residue 22
Atom CA of residue 144
Atom CA of residue 143
Atom CA of residue 98
Atom O of residue 496
Atom CA of residue 98
Atom CA of residue 334
TYR
Atom CA of residue 97
GLU
Atom CA of residue 96
Atom N of residue 96
Atom CA of residue 51
Atom CA of residue 58
Atom CA of residue 101
THR
PRO
DensityMap24
GLU
GLU
Atom CA of residue 146
Atom CA of residue 185
Atom CA of residue 184
ALA
Atom N of residue 497
GLY
Atom N of residue 463
Atom CE2 of residue 22
ALA
GLY
TYR
TYR
Atom CG of residue 559
Chain A
ASN
Atom C of residue 587
SER
Atom C of residue 482
Atom CA of residue 7
Atom CG1 of residue 109
Atom CA of residue 47
Atom O of residue 136
GLU
Atom CA of residue 11
ARG
Atom CG of residue 18
LEU
Atom CA of residue 72
PRO
Atom CA of residue 30
Atom CA of residue 333
Atom CA of residue 71
Atom CA of residue 85
ALA
Atom CA of residue 14
Atom CA of residue 9
ASP
PHE
Atom CA of residue 257
LYS
LEU
Atom CG of residue 20
Atom CA of residue 5
Atom N of residue 473
SER
PRO
THR
GLY
Atom CA of residue 114
Atom CA of residue 513
Atom C of residue 111
LYS
P1
ALA
LEU
Atom CA of residue 110
Atom C of residue 473
VAL
LEU
HIS
Atom CA of residue 143
Atom CG of residue 59
Atom C of residue 6
GLU
THR
GLU
Atom CA of residue 88
Atom CA of residue 100
Atom CA of residue 105
ARG
VAL
Atom CA of residue 86
Atom CD1 of residue 96
Atom CA of residue 50
Atom CB of residue 64
Atom CB of residue 13
ARG
Atom CZ2 of residue 16
GLY
GLY
ARG
LEU
ALA
Atom CA of residue 349
Atom CA of residue 2631
Atom CA of residue 2
Atom CA of residue 44
TYR
Atom CA of residue 61
Atom CG2 of residue 5
Atom CA of residue 47
Atom CA of residue 129
Atom N of residue 499
GLU
LYS
GLU
Atom CA of residue 54
Atom CA of residue 190
ASP
Atom CA of residue 9
PRO
SER
Atom CA of residue 2665
Atom CA of residue 519
VAL
VAL
ALA
LEU
Atom CA of residue 156
Atom CA of residue 88
Atom O of residue 456
mol_2
Atom CA of residue 444
Atom CA of residue 45
ARG
Atom CB of residue 97
GLU
TYR
LYS
TRP
Atom CA of residue 44
PHE
Atom CB of residue 564
Atom CA of residue 188
ASN
ARG
Atom CA of residue 3
Atom CA of residue 2692
PHE
VAL
GLU
Atom CA of residue 148
Atom CA of residue 77
Atom N of residue 17
ASN
ASP
Atom CA of residue 83
Atom CA of residue 177
Atom N of residue 102
LEU
GLY
ILE
Chain D
Atom O of residue 433
Atom CA of residue 41
VAL
Atom C of residue 5
Atom CA of residue 87
Atom CA of residue 51
GLU
Atom CB of residue 580
PRO
Atom N of residue 53
Atom CA of residue 2629
GLU
Atom ND1 of residue 20
Atom CA of residue 534
Atom OD2 of residue 19
TYR
Atom CA of residue 583
Atom CA of residue 537
Atom CA of residue 225
Atom N of residue 565
VAL
LEU
SER
LYS
Atom CA of residue 253
GLN
LEU
ARG
Atom CA of residue 125
LEU
Atom CA of residue 84
Atom O of residue 90
Atom CD of residue 128
Atom CG of residue 157
Atom CA of residue 192
Atom CA of residue 139
Atom CA of residue 581
Atom CA of residue 125
Atom CA of residue 40
Atom CA of residue 121
PHE
Atom CA of residue 80
Atom N of residue 553
Atom CA of residue 59
PHE
PHE
Atom CA of residue 13
Atom N of residue 474
PRO
Atom CA of residue 60
VAL
Atom CA of residue 446
Atom CA of residue 464
Atom NH1 of residue 47
Atom CA of residue 39
Atom CG of residue 13
Atom CB of residue 116
Atom CD of residue 528
ALA
Atom CA of residue 48
GLY
Atom CA of residue 476
Atom CA of residue 116
Atom CA of residue 26
Atom CA of residue 52
Atom CA of residue 108
Atom CA of residue 480
Atom CB of residue 66
Atom CA of residue 577
Atom CA of residue 144
Atom CA of residue 53
TYR
TYR
LEU
GLU
LYS
ASN
Atom CA of residue 24
Atom CE1 of residue 512
ALA
Atom CA of residue 19
GLY
GLU
THR
Chain  
VAL
Atom CA of residue 585
Atom CA of residue 514
Atom CA of residue 418
ALA
Atom CA of residue 131
TYR
Atom CA of residue 92
Atom CG1 of residue 27
Atom CA of residue 91
Atom CA of residue 76
GLU
Atom CD of residue 582
SER
Atom CA of residue 64
Atom CA of residue 207
LYS
Atom CA of residue 14
GLU
THR
Atom CA of residue 90
Atom CA of residue 89
Atom N of residue 78
Atom O of residue 34
Atom CA of residue 88
GLU
GLN
Atom N of residue 93
Atom CA of residue 223
TYR
LYS
Atom CB of residue 22
Atom CA of residue 514
VAL
ASP
Atom CA of residue 2654
PRO
Atom CA of residue 2665
Atom CA of residue 2653
HIS
Chain B
Atom CZ of residue 33
Atom CA of residue 20
Atom CA of residue 129
Atom CA of residue 41
Atom CB of residue 76
Atom CE2 of residue 507
Atom CA of residue 2664
Atom CA of residue 2652
PHE
Atom CG of residue 33
GLU
LEU
DensityMap1061
LEU
ASN
GLU
LYS
Atom C of residue 154
LEU
Atom CA of residue 2651
LEU
Atom CA of residue 505
Atom NZ of residue 76
VAL
Atom C of residue 33
LEU
LYS
MET
Atom C of residue 78
Atom CA of residue 76
Atom CA of residue 95
python stream rigid body rigid body positions
TRP
GLN
GLN
TYR
Atom CA of residue 107
Atom CA of residue 111
Atom OD2 of residue 527
PRO
Atom CA of residue 94
PHE
LYS
PHE
Atom CA of residue 334
PRO
Atom CA of residue 526
PHE
Atom CA of residue 17
Atom CD1 of residue 535
ALA
TYR
GLU
MapReaderWriter3
Atom CA of residue 443
PRO
GLN
Atom N of residue 30
ARG
Atom C of residue 5
Atom CA of residue 63
Atom CA of residue 14
CYS
Atom CE1 of residue 16
Atom C of residue 114
Atom CA of residue 61
Atom CA of residue 156
Atom CA of residue 85
Atom CA of residue 185
Atom CG of residue 16
LEU
Atom CA of residue 118
PRO
Atom CG2 of residue 15
Atom CA of residue 12
Atom CA of residue 447
Atom CA of residue 113
Atom CA of residue 318
Atom OD2 of residue 482
Atom CD of residue 25
ALA
Atom CA of residue 13
Atom CA of residue 184
Atom CA of residue 154
Atom CA of residue 83
Atom C of residue 583
LEU
PHE
Atom CA of residue 11
Atom CD1 of residue 113
Atom CA of residue 320
Atom CA of residue 112
LYS
Atom O of residue 25
VAL
GLN
SER
Chain A
Atom CB of residue 97
ALA
Atom CA of residue 65
Atom C of residue 74
Atom CA of residue 111
Atom CD1 of residue 446
Atom CA of residue 268
ILE
ILE
Atom O of residue 99
GLU
ILE
TRP
GLU
Atom O of residue 17
Atom CA of residue 2669
Atom CE2 of residue 575
GLU
Atom CA of residue 2639
ILE
Atom CA of residue 93
PRO
Atom CA of residue 155
LYS
GLY
Atom CA of residue 143
Atom CA of residue 28
Atom CA of residue 2668
Atom CA of residue 49
LYS
MapReaderWriter28
Atom CG of residue 125
PHE
Atom OG1 of residue 436
GLU
UpdateRigidBodyMembers10
Atom N of residue 18
GLU
ARG
THR
ARG
HIS
Atom CE1 of residue 98
Atom CA of residue 261
Atom ND2 of residue 503
Atom CA of residue 561
Atom CB of residue 119
Atom N of residue 66
Atom CA of residue 36
LEU
Atom O of residue 20
Atom CD1 of residue 16
HIS
Atom CG of residue 100
Atom CA of residue 260
Atom CG of residue 100
Atom N of residue 103
ARG
DensityMap4
THR
Atom CA of residue 259
Atom CA of residue 362
Atom CA of residue 34
Atom C of residue 7
GLU
Atom CA of residue 116
VAL
LYS
LEU
Atom CA of residue 142
CYS
Atom CA of residue 566
PHE
Atom CA of residue 105
CYS
Atom C of residue 120
ALA
LYS
SER
GLU
Atom CA of residue 21
ALA
Atom CA of residue 256
Atom CA of residue 48
HIS
1tyq_A.pdb
Atom CA of residue 492
Atom CA of residue 171
Atom CB of residue 29
Atom CA of residue 66
Atom O of residue 535
Atom CB of residue 78
Atom CA of residue 29
Atom ND2 of residue 124
SER
Atom CG of residue 11
GLN
Atom CA of residue 2
Atom CG of residue 39
GLY
SER
Atom CB of residue 47
THR
Atom CA of residue 539
Atom CG of residue 57
VAL
Atom N of residue 126
Atom CD1 of residue 22
LYS
ILE
CoarseCC2
ALA
GLY
ALA
Atom CG of residue 124
ALA
Atom CA of residue 63
LEU
PHE
Atom CA of residue 512
PHE
VAL
Atom CA of residue 24
Atom CA of residue 304
Atom CA of residue 24
Atom CA of residue 6
Atom OG of residue 454
ASP
Atom CA of residue 252
Atom C of residue 13
Atom CA of residue 86
ALA
Atom CA of residue 489
Atom CA of residue 2653
LEU
Atom CA of residue 575
LYS
Atom CA of residue 112
Atom CA of residue 62
Atom CA of residue 87
Atom CA of residue 53
Atom CA of residue 2668
PHE
Atom CA of residue 511
TRP
Atom CA of residue 503
Atom CA of residue 488
GLY
GLN
Atom O of residue 24
GLN
Atom CA of residue 2652
SER
Atom OG of residue 37
PHE
Atom N of residue 505
Atom CA of residue 111
Atom CA of residue 61
Atom CB of residue 462
Atom CA of residue 52
Atom CA of residue 2667
ALA
GLY
ASP
Atom CB of residue 111
THR
PRO
Atom CA of residue 74
CYS
Atom CA of residue 486
ALA
Atom CB of residue 543
Atom CA of residue 73
VAL
Atom CA of residue 122
Atom CA of residue 209
Atom CA of residue 164
ARG
Atom CG1 of residue 518
GLY
Atom CB of residue 140
Atom CB of residue 470
Atom CA of residue 47
Atom CA of residue 107
Atom CA of residue 90
Atom CA of residue 34
LEU
Atom CA of residue 486
HIS
Atom C of residue 149
Atom CG2 of residue 463
MET
Atom CA of residue 39
Atom CA of residue 92
Atom CA of residue 297
Atom N of residue 104
Atom CA of residue 42
Atom CA of residue 151
Atom C of residue 586
Atom CA of residue 41
ALA
Atom CA of residue 154
Atom N of residue 45
MapReaderWriter5
Atom N of residue 137
LYS
PRO
Atom CA of residue 28
CYS
Atom C of residue 550
Atom NE of residue 47
Atom CA of residue 85
ILE
Atom CA of residue 153
PRO
Fit restraint scratch map
Atom CA of residue 152
PRO
LEU
Atom CA of residue 244
Atom CA of residue 199
Atom C of residue 40
Atom N of residue 582
Atom CA of residue 12
Atom CA of residue 87
Atom CB of residue 473
Atom CZ of residue 64
Atom CB of residue 477
Atom O of residue 71
Atom CA of residue 2676
mol_3 rigid body
ARG
Atom CA of residue 86
LEU
GLY
Atom C of residue 63
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em/test/input/in.mrc
LYS
Atom CA of residue 93
Atom CA of residue 242
ALA
Atom C of residue 434
GLY
ALA
Atom OG of residue 124
Atom CA of residue 148
Atom CA of residue 563
VAL
GLU
Atom CB of residue 118
Atom CG of residue 66
Atom SD of residue 10
Atom CA of residue 547
Atom CA of residue 238
Atom CA of residue 266
Atom CA of residue 16
Atom OE1 of residue 132
Atom CA of residue 235
Atom CA of residue 17
ARG
Atom CA of residue 96
Atom CA of residue 265
Atom CA of residue 264
ASN
Atom CD of residue 157
SER
ARG
Atom CA of residue 62
Atom CA of residue 143
SER
Atom CA of residue 105
Atom CA of residue 25
SER
Atom CA of residue 544
GLU
Atom CA of residue 142
LEU
Atom CA of residue 56
ARG
Atom CA of residue 217
Atom CA of residue 124
Atom OG1 of residue 14
GLU
Atom CA of residue 542
Atom CA of residue 233
Atom CA of residue 37
Atom CA of residue 126
Atom CA of residue 140
LEU
Atom CA of residue 232
LEU
Atom OE2 of residue 105
Atom O of residue 499
ALA
GLU
THR
Atom CA of residue 35
Atom CD2 of residue 16
Atom CA of residue 230
Atom CA of residue 21
Atom N of residue 30
Atom O of residue 6
GLY
Atom CA of residue 538
Atom C of residue 573
Atom CA of residue 447
Atom CE of residue 108
ASN
ASP
THR
Atom CA of residue 14
Atom NH2 of residue 27
python stream rigid body rigid body positions
Atom C of residue 117
Atom CA of residue 537
CYS
Atom CA of residue 554
Atom CA of residue 17
THR
Atom CA of residue 78
Atom CA of residue 103
Atom CE1 of residue 22
Atom CA of residue 55
GLY
Atom CA of residue 531
Atom C of residue 45
Atom CA of residue 226
Atom CA of residue 491
Atom CA of residue 451
Atom CA of residue 29
Atom CG1 of residue 89
Fit restraint scratch map
Atom CA of residue 524
LEU
Atom CA of residue 490
LEU
Atom CA of residue 575
Atom CA of residue 64
Atom CG of residue 22
Atom CA of residue 126
Atom CA of residue 253
Atom CZ of residue 68
Atom CA of residue 536
Atom CA of residue 224
Atom C of residue 129
ARG
LEU
ALA
Atom CA of residue 23
Atom CA of residue 442
Atom CA of residue 106
Atom C of residue 142
Atom CE of residue 110
Atom NH1 of residue 125
LYS
Atom CA of residue 50
Atom CA of residue 37
Atom CD of residue 74
Atom CG of residue 77
Atom CA of residue 25
Atom CA of residue 221
ARG
Atom CA of residue 21
SER
THR
Atom O of residue 449
Atom O of residue 26
Atom CA of residue 127
GLN
Atom CA of residue 263
Atom CA of residue 220
ASN
Atom CG of residue 530
Atom CA of residue 554
SER
Atom CA of residue 219
PRO
Atom CA of residue 39
Atom CA of residue 218
Atom CA of residue 283
Atom CA of residue 54
Atom OG of residue 579
LYS
PRO
ARG
THR
Atom CA of residue 133
THR
LEU
Atom CB of residue 16
Envelope penetration restraint
VAL
Atom CA of residue 361
ILE
LEU
PRO
Atom CA of residue 568
Atom CA of residue 215
Atom CA of residue 87
ARG
Atom CA of residue 123
Atom CA of residue 527
Atom CA of residue 93
ALA
Atom CA of residue 360
ASN
ARG
ILE
LEU
Atom CA of residue 214
VAL
Atom CA of residue 92
GLY
ARG
Atom CD2 of residue 38
Atom CA of residue 458
LYS
Atom CE2 of residue 64
THR
GLN
LYS
Atom CE3 of residue 104
Atom N of residue 91
PRO
Atom CA of residue 38
ASP
Atom CA of residue 89
ASP
Atom CB of residue 64
THR
THR
THR
Atom CG of residue 20
Atom CA of residue 19
Atom CA of residue 210
Atom SG of residue 138
Atom CA of residue 443
Atom CA of residue 88
Atom CA of residue 209
Atom CB of residue 453
VAL
Atom CA of residue 87
ASN
Atom CA of residue 95
Atom CA of residue 236
HIS
Atom CG of residue 145
Atom C of residue 523
Atom CA of residue 86
Atom CA of residue 317
PRO
ALA
LYS
Atom CA of residue 515
Atom CA of residue 206
Atom N of residue 86
Atom CD of residue 103
HIS
PRO
Atom CA of residue 79
LEU
Atom CA of residue 200
PHE
Atom CA of residue 96
DensityMap3
Atom O of residue 101
Atom CA of residue 9
PRO
Atom CA of residue 2631
DensityMap0
ALA
Atom C of residue 93
LEU
PRO
Atom CA of residue 216
Atom CA of residue 34
Atom CA of residue 211
Atom CA of residue 37
PHE
Atom CA of residue 187
THR
Atom CA of residue 2691
TYR
Atom CA of residue 2689
TYR
Atom CA of residue 83
ARG
Atom N of residue 29
Atom CA of residue 2654
ALA
VAL
Atom CD1 of residue 45
Atom CA of residue 443
Atom CA of residue 71
Atom CB of residue 562
Atom NE of residue 487
THR
Atom CA of residue 89
ASN
Atom CA of residue 50
Atom CA of residue 97
Atom NE2 of residue 98
PRO
Atom CA of residue 9
Atom CA of residue 2682
HIS
ASP
Atom CA of residue 205
Atom CA of residue 2681
Atom OE1 of residue 11
HIS
HIS
Atom NE of residue 8
ARG
LeavesRefiner3
HIS
Atom CA of residue 115
Atom CA of residue 2680
PRO
Atom CA of residue 175
PRO
Atom CA of residue 76
THR
ASN
Atom CA of residue 2679
Atom NE of residue 13
GLY
Atom CA of residue 174
Atom CA of residue 232
Atom CA of residue 2678
GLY
Atom OG of residue 579
Atom CA of residue 173
ILE
Atom CA of residue 167
Atom CA of residue 163
TYR
Atom CA of residue 278
Atom CA of residue 99
Atom N of residue 80
Atom CA of residue 160
Atom O of residue 112
THR
Atom NH1 of residue 8
Atom CA of residue 40
GLU
Atom CG of residue 483
Atom CA of residue 583
Atom CA of residue 582
Atom CA of residue 107
PHE
Atom CG2 of residue 94
GLN
Atom CA of residue 21
Atom N of residue 530
ASP
Atom CA of residue 29
Atom OD2 of residue 495
ASN
GLN
Atom O of residue 94
HIS
ALA
Atom CA of residue 2633
SER
Atom C of residue 105
GLU
Atom O of residue 462
Atom CA of residue 107
THR
VAL
Atom O of residue 118
Atom C of residue 72
SER
Atom CA of residue 67
Atom C of residue 44
Atom CA of residue 437
SER
rigid bodies list
LEU
SER
MET
Atom CA of residue 97
SER
ASP
LEU
Atom CA of residue 560
ASN
PHE
Atom CA of residue 194
Atom CA of residue 504
VAL
SER
CoarseCC0
GLY
VAL
Atom CA of residue 93
Atom CA of residue 305
THR
GLY
Atom CB of residue 70
Atom CA of residue 34
Atom CA of residue 141
PHE
Atom O of residue 63
ALA
Atom OG of residue 477
Atom N of residue 562
Atom CA of residue 456
ARG
Atom C of residue 471
Atom CA of residue 19
GLU
ASP
Atom CE2 of residue 437
GLU
Atom N of residue 141
SER
MET
ALA
Atom OD1 of residue 37
ALA
Atom CA of residue 453
Atom CA of residue 119
Atom CA of residue 70
Atom CB of residue 437
Atom CB of residue 560
VAL
ILE
LEU
GLU
GLY
Atom CA of residue 29
Atom CD1 of residue 87
GLN
Atom CG of residue 515
Atom CD of residue 475
Atom CA of residue 83
VAL
Atom N of residue 81
Atom CA of residue 101
Atom CA of residue 120
Atom CA of residue 29
GLU
Atom C of residue 90
LEU
Atom CA of residue 285
ALA
Atom CA of residue 117
Atom CA of residue 83
LEU
ALA
ASN
Atom CD1 of residue 555
Atom CA of residue 110
THR
Atom CD of residue 60
GLY
Atom CD1 of residue 18
ALA
Atom CA of residue 444
Atom CA of residue 534
Atom CD1 of residue 507
Atom C of residue 103
DensityMap2
Atom CG1 of residue 86
Atom CA of residue 20
Atom CA of residue 87
Atom C of residue 486
Atom C of residue 114
Atom CA of residue 18
Atom CA of residue 442
Atom C of residue 474
Atom CA of residue 470
Atom N of residue 49
Atom CA of residue 50
Atom O of residue 136
GLU
Atom CA of residue 16
Atom CA of residue 81
SER
Atom CA of residue 191
ALA
PRO
GLU
Atom CA of residue 38
Atom CA of residue 99
Atom CB of residue 542
Atom CA of residue 142
ASP
Atom N of residue 540
Atom N of residue 460
GLN
Atom C of residue 124
ALA
LYS
LYS
GLU
LEU
LYS
Atom CA of residue 97
Atom CB of residue 86
Atom CA of residue 109
Atom O of residue 82
Atom CD of residue 69
Atom CB of residue 72
Atom CB of residue 8
Atom CA of residue 2664
PRO
LYS
Atom C of residue 45
LEU
Atom CA of residue 30
ILE
Atom CA of residue 21
Atom CD1 of residue 144
LEU
Atom C of residue 472
Atom CA of residue 112
Atom CA of residue 108
Atom CA of residue 2663
Atom CD of residue 483
VAL
ALA
GLU
Atom CA of residue 94
Atom CD1 of residue 560
Atom CB of residue 93
Atom CA of residue 93
Atom CA of residue 90
Atom CA of residue 34
Atom CB of residue 489
Atom CA of residue 2677
LEU
Atom CA of residue 92
ARG
PRO
Atom CA of residue 91
VAL
GLY
LEU
Atom SD of residue 48
Atom NH2 of residue 114
Atom CA of residue 27
LEU
Atom CA of residue 27
Atom CA of residue 467
Atom CA of residue 103
GLU
VAL
PRO
Atom CA of residue 100
Atom O of residue 94
LEU
Atom ND2 of residue 543
Atom CA of residue 2683
ASP
Atom CA of residue 77
GLN
DensityMap53
Atom CA of residue 25
GLU
Atom CA of residue 111
Atom CG2 of residue 54
Atom CA of residue 147
ASP
THR
Atom CB of residue 10
Atom CA of residue 34
ASP
Atom CA of residue 108
Atom CA of residue 15
ILE
Atom CA of residue 134
Atom CA of residue 124
Atom CA of residue 5
Chain C
Atom CA of residue 583
Atom CA of residue 335
Atom CB of residue 99
ARG
GLU
Atom CA of residue 210
Atom CA of residue 165
Atom OE1 of residue 78
PHE
Atom CA of residue 75
Atom CB of residue 88
Atom N of residue 493
LEU
Atom CA of residue 88
Atom CA of residue 155
Atom CA of residue 6
PHE
Atom N of residue 40
ALA
VAL
ALA
Atom CA of residue 122
ARG
LYS
Atom CB of residue 150
Atom CA of residue 580
GLU
LEU
Atom O of residue 440
Atom CA of residue 101
PRO
ARG
TYR
Atom CA of residue 135
Atom CA of residue 62
Atom CG of residue 127
Atom CA of residue 76
VAL
Atom CA of residue 125
PHE
ASN
Atom CA of residue 2690
Atom CA of residue 11
Atom CD2 of residue 497
Atom CA of residue 68
Atom CA of residue 531
THR
Atom CA of residue 2650
Atom CD1 of residue 81
LEU
Atom CG of residue 467
Atom CA of residue 224
Atom CA of residue 109
Atom CD1 of residue 63
Atom CA of residue 584
Atom CA of residue 473
ASP
LEU
Atom CA of residue 255
LEU
Atom CA of residue 74
Atom CA of residue 462
GLU
Atom CG of residue 146
Atom CA of residue 23
GLU
ARG
PRO
Atom CA of residue 27
GLY
TYR
LEU
PRO
python stream
LEU
Atom CG2 of residue 56
Atom CA of residue 143
Atom CA of residue 487
ALA
MET
LYS
ARG
SampledDensityMap23
Atom CA of residue 56
Atom CG of residue 50
VAL
Atom CB of residue 64
MET
ALA
Atom CE3 of residue 41
LYS
PHE
LEU
VAL
Atom CA of residue 115
Atom CZ2 of residue 103
Atom CG of residue 105
Atom N of residue 27
Atom CA of residue 59
ALA
VAL
Atom CA of residue 32
Atom CA of residue 471
Model 38
HIS
GLU
Atom CA of residue 131
ARG
Atom CA of residue 10
Atom CA of residue 46
PHE
GLU
LYS
Atom CA of residue 5
Atom NE2 of residue 63
Atom CA of residue 65
Atom N of residue 74
ALA
Atom C of residue 481
ALA
ALA
Atom N of residue 49
Atom CG1 of residue 23
Atom CA of residue 8
ALA
LEU
GLN
GLY
SER
GLY
PHE
Atom CA of residue 465
Atom CA of residue 576
Atom CA of residue 101
ALA
PRO
ASP
LEU
Atom CA of residue 52
Atom CA of residue 104
LEU
Atom CA of residue 25
Atom CA of residue 105
em module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/saxs/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/examples/profile.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/examples/profile_fit.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/examples/fast-test.results.out) > /dev/null
Run example profile.py ... ok
Run example profile_fit.py ... ok

----------------------------------------------------------------------
Ran 2 tests in 1.182s

OK
saxs examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/saxs/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.saxs --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/test/test_saxs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/saxs/test/test_surface.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_saxs_standards.py >/private/tmp/nightly-build-90354/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 ... ok
Check protein surface computation ... 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 2.436s

OK
saxs module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/gsl/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/examples/simplex.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/examples/fast-test.results.out) > /dev/null
Run example simplex.py ... ok

----------------------------------------------------------------------
Ran 1 test in 0.091s

OK
gsl examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/gsl/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.gsl --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/test/test_cg_optimizer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/test/test_qn_minimizer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/gsl/test/test_simplex_minimizer.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_gsl_standards.py >/private/tmp/nightly-build-90354/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 0.690s

OK
gsl module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/modeller/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/examples/imp_restraints_in_modeller.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/examples/load_modeller_model.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/examples/modeller_restraints_in_imp.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/examples/fast-test.results.out) > /dev/null
Run example imp_restraints_in_modeller.py ... ok
Run example load_modeller_model.py ... ok
Run example modeller_restraints_in_imp.py ... ok

----------------------------------------------------------------------
Ran 3 tests in 1.349s

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 /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/modeller/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.modeller --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/test_dynamic_restraints.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/test_imp_restraints.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/test_load_model_atoms.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/test_modeller_restraints.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/test_rsr_file_read.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_modeller_standards.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/modeller/test/fast-test.results.out) > /dev/null
Check loading of Modeller electrostatic restraints ... ok
Check loading of Modeller Lennard-Jones restraints ... 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 1.233s ... ok
Check reading a dna with one chain ... ok
Check reading a Modeller model with one protein ... ok
Check using Modeller restraints in IMP ... ok
Check angle restraints against Modeller ... ok
Check bond restraints against Modeller ... ok
Check dihedral restraints against Modeller ... ok
Check improper restraints against Modeller ... ok
Check loading of Modeller static restraints ... 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 7.594s

OK
modeller module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/restrainer/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/nup84_complex_in_bead_representation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/basic_setup.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/rigid_body_and_excluded_volume_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/em_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/saxs_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/examples/basic_display.py >/private/tmp/nightly-build-90354/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 1.163s

OK
restrainer examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/restrainer/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.restrainer --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_sphere.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_sphere.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_display.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_distance_for_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_distance_for_sphere.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_em.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_get_rigid_body.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_methods_for_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_methods_for_sphere.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_representation_mix.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_representation_pdb.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_representation_sphere.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_saxs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_molecules.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_rigid_bodies.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_simple_diameter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_simple_distance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_simple_em_fit.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/test_simple_excluded_volume.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_restrainer_standards.py >/private/tmp/nightly-build-90354/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 1.072s ... ok
Check connectivity restraint for sphere ... ok
Check diameter restraint for pdb ... 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 ... ok
Check multiple input restraints for pdb ... in 1.311s ... 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 5.740s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
SampledDensityMap6
P1
Fit restraint scratch map
P1
P0
Model 23
DistancePairScore 8
UnaryFunction24
SampledDensityMap2
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Model 22
DistancePairScore 7
UnaryFunction23
ConjugateGradients
P1
P0
TupleRestraint 6
ConjugateGradients
Model 20
SingletonConstraint 5
DiameterRestraint5
ListSingletonContainer19
UnaryFunction21
ModelScoringFunction4
P49
P48
P47
P45
P44
P42
P40
P39
P36
P35
P34
P27
P20
P18
P11
P9
P7
P6
P4
P1
Model 19
DiameterRestraint center
P45
P44
P43
P42
P39
P36
P34
P32
P30
P23
P20
P18
P15
P13
P10
P6
P3
P2
P1
Model 18
GridCPF
normalize rigid bodies
NullModifier8
NormalizeRotation8
rigid bodies list
GLU
Atom CA of residue 7
CYS
VAL
Atom CA of residue 2
Chain A
input.pdb
GLU
Atom CA of residue 7
CYS
Atom CA of residue 6
Atom CA of residue 5
GLY
Atom CA of residue 4
PHE
Atom CA of residue 3
LYS
Chain A
Atom CA of residue 1
ModelScoringFunction2
ConjugateGradients
P2
P1
RigidCPF
KClosePairsPairScore 7
LeavesRefiner8
ModelScoringFunction1
P3
P1
P0
Atom OXT of residue 129
Atom CD1 of residue 129
Atom CG of residue 129
Atom CA of residue 129
Atom NH1 of residue 128
Atom CZ of residue 128
Atom NE of residue 128
Atom CD of residue 128
ARG
Atom SG of residue 127
Atom CB of residue 127
Atom NH2 of residue 125
Atom CD1 of residue 124
Atom CG2 of residue 124
Atom CA of residue 124
Atom CH2 of residue 123
input.pdb rigid body positions
Atom CZ2 of residue 123
Atom CE2 of residue 123
Atom O of residue 123
Atom CA of residue 123
Atom N of residue 122
Atom NE2 of residue 121
Atom CB of residue 121
Atom C of residue 121
Atom CA of residue 121
GLN
Atom N of residue 121
Atom CG1 of residue 120
Atom CB of residue 120
Atom O of residue 120
Atom C of residue 118
THR
P3
Atom N of residue 118
Atom C of residue 117
Atom CA of residue 117
Atom N of residue 117
Atom NZ of residue 116
Atom CE of residue 116
Atom CD of residue 116
Atom SG of residue 115
CYS
Atom N of residue 115
Atom NH1 of residue 114
Atom CD of residue 114
Atom CG of residue 114
Atom O of residue 114
Atom C of residue 114
ARG
Atom N of residue 114
Atom ND2 of residue 113
Atom O of residue 113
Atom C of residue 113
Atom N of residue 113
Atom NH2 of residue 112
Atom CD of residue 112
Atom CG of residue 112
Atom CA of residue 112
Atom N of residue 112
Atom CH2 of residue 111
Atom CZ2 of residue 111
Atom CE3 of residue 111
Atom CE2 of residue 111
Atom NE1 of residue 111
Atom CD2 of residue 111
Atom CD1 of residue 111
Atom CG of residue 111
Atom CB of residue 111
Atom N of residue 111
Atom O of residue 110
Atom C of residue 109
Atom CA of residue 109
Atom CZ3 of residue 108
Atom CZ2 of residue 108
Atom CD2 of residue 108
Atom CG of residue 108
Atom CA of residue 108
Atom CB of residue 107
Atom O of residue 107
Atom CA of residue 107
Atom OD1 of residue 106
Atom CG of residue 106
Atom C of residue 106
Atom CA of residue 106
Atom C of residue 105
Atom N of residue 104
Atom ND2 of residue 103
Atom OD1 of residue 103
Atom C of residue 103
Atom CA of residue 103
Atom N of residue 103
Atom O of residue 102
Atom C of residue 102
GLY
Atom N of residue 102
Atom O of residue 101
Atom CA of residue 101
Atom C of residue 100
Atom CA of residue 100
Atom CA of residue 99
Atom N of residue 99
Atom CA of residue 98
Atom CG of residue 97
LYS
Atom N of residue 97
Atom NZ of residue 96
Atom CE of residue 96
Atom CG of residue 96
Atom CB of residue 96
Atom O of residue 96
Atom C of residue 96
Atom N of residue 96
Atom O of residue 95
Atom C of residue 95
ALA
Atom N of residue 95
Atom CB of residue 94
Atom O of residue 94
Atom C of residue 94
Atom CA of residue 94
CYS
Atom ND2 of residue 93
Atom OD1 of residue 93
Atom CG of residue 93
P29
Atom N of residue 93
P26
Atom CG2 of residue 92
Atom CG1 of residue 92
Atom OG of residue 91
Atom CB of residue 91
Atom O of residue 91
Atom C of residue 90
Atom CA of residue 90
ALA
Atom N of residue 90
Atom OG1 of residue 89
Atom O of residue 89
Atom C of residue 89
Atom CA of residue 89
THR
Atom N of residue 89
Atom CD1 of residue 88
Atom CG1 of residue 88
Atom CB of residue 88
Atom O of residue 88
Atom CA of residue 88
ILE
Atom N of residue 88
Atom OD2 of residue 87
Atom OD1 of residue 87
Atom CG of residue 87
Atom CB of residue 87
Atom O of residue 87
ListSingletonContainer18
Atom C of residue 87
ASP
Atom N of residue 87
Atom OG of residue 85
Atom CA of residue 85
SER
Atom CD2 of residue 84
P29
Atom CD1 of residue 84
Atom CG of residue 84
Atom CD1 of residue 83
Atom O of residue 82
Atom C of residue 82
Atom CA of residue 82
Atom N of residue 82
Atom C of residue 81
Atom N of residue 81
CYS
Atom O of residue 79
Atom CG2 of residue 78
Atom OD1 of residue 77
Atom CG of residue 77
Atom O of residue 77
ASN
Atom SG of residue 76
Atom CB of residue 76
Atom C of residue 76
Atom N of residue 76
Atom C of residue 75
Atom CA of residue 75
Atom OD1 of residue 74
Atom CB of residue 74
Atom C of residue 74
Atom CA of residue 74
ASN
Atom N of residue 74
Atom NH2 of residue 73
Atom CA of residue 1
Atom NH1 of residue 73
Atom CZ of residue 73
Atom CD of residue 73
Atom O of residue 73
Atom C of residue 73
ARG
input.pdb
Atom N of residue 73
Atom CB of residue 72
Atom C of residue 72
SER
Atom N of residue 72
Atom C of residue 71
GLY
Atom N of residue 71
Atom CD of residue 70
Atom CG of residue 70
Atom CB of residue 70
Atom O of residue 70
Atom O of residue 118
Atom OG1 of residue 69
Atom CB of residue 69
Atom CB of residue 118
Atom C of residue 69
Atom CA of residue 69
Atom N of residue 69
Atom NH1 of residue 68
Atom CZ of residue 68
Atom NE of residue 68
Atom CD of residue 68
Atom CB of residue 68
Atom CB of residue 116
Atom C of residue 68
Atom CA of residue 67
GLY
Atom OD2 of residue 66
Atom OD1 of residue 66
Atom CG of residue 66
Atom CA of residue 66
Atom ND2 of residue 65
Atom OD1 of residue 65
Atom CG of residue 65
Atom CB of residue 65
Atom O of residue 65
Atom C of residue 65
Atom CA of residue 65
Atom N of residue 65
Atom SG of residue 64
Atom O of residue 64
Atom C of residue 64
Atom CA of residue 64
CYS
Atom N of residue 64
Atom CA of residue 113
Atom CE3 of residue 63
ASN
Atom CE2 of residue 63
Atom NE1 of residue 63
Atom CB of residue 63
Atom O of residue 63
Atom C of residue 63
Atom CA of residue 63
Atom N of residue 63
Atom CH2 of residue 62
Atom CE3 of residue 62
Atom CE2 of residue 62
Atom CD2 of residue 62
Atom CD1 of residue 62
Atom CG of residue 62
Atom C of residue 62
Atom CA of residue 62
TRP
Atom N of residue 62
Atom CZ of residue 61
Atom CD of residue 61
Atom CA of residue 61
ARG
Atom CB of residue 60
Atom C of residue 60
Atom CA of residue 60
SER
Fit restraint
Atom ND2 of residue 59
Atom CG of residue 59
Atom CB of residue 59
Atom O of residue 59
Atom C of residue 59
Atom CA of residue 59
Atom N of residue 59
Atom CD1 of residue 58
Atom CG2 of residue 58
Atom CG1 of residue 58
Atom CB of residue 58
Atom C of residue 58
Atom CD of residue 57
Atom CG of residue 57
Atom C of residue 57
Atom CA of residue 57
GLN
Atom CD2 of residue 56
Atom CD1 of residue 56
Atom CG of residue 56
Atom CB of residue 56
Atom O of residue 56
Atom C of residue 56
Atom CA of residue 56
Atom CG2 of residue 55
Atom CG1 of residue 55
Atom CA of residue 55
ILE
Atom N of residue 55
Atom CA of residue 54
GLY
Atom N of residue 54
Atom OH of residue 53
Atom CE2 of residue 53
Atom OD1 of residue 101
Atom CE1 of residue 53
Atom CD2 of residue 53
Atom CD1 of residue 53
TYR
Atom OD2 of residue 52
ASP
THR
Atom CB of residue 50
Atom CA of residue 50
SER
Atom N of residue 50
Atom N of residue 49
Atom OD2 of residue 48
Atom CB of residue 48
Atom CA of residue 48
Atom CG2 of residue 47
Atom OG1 of residue 47
Atom CB of residue 47
Atom CA of residue 47
THR
Atom N of residue 47
Atom CA of residue 46
Atom N of residue 46
Atom NH1 of residue 45
Atom CD of residue 45
P13
Atom O of residue 45
Atom CA of residue 45
Atom ND2 of residue 44
P8
Atom OD1 of residue 44
Atom CG of residue 44
Atom CB of residue 44
Atom CA of residue 44
ASN
connectivity list
Atom CG2 of residue 43
Atom OG1 of residue 43
Atom O of residue 43
Atom C of residue 43
Atom CA of residue 43
Atom N of residue 43
Atom CB of residue 42
Atom O of residue 42
Atom C of residue 42
Atom N of residue 42
Atom OE1 of residue 41
Atom CG of residue 41
Atom CB of residue 41
Atom CA of residue 41
GLN
Atom OG1 of residue 40
Atom CA of residue 40
Atom OD1 of residue 39
Atom CB of residue 39
Atom O of residue 39
Atom C of residue 39
Atom CA of residue 39
Atom N of residue 39
P41
Atom CZ of residue 38
Atom CE2 of residue 38
Atom CD2 of residue 38
Atom CG of residue 38
Atom CB of residue 38
Atom O of residue 38
Atom C of residue 38
PHE
Atom N of residue 38
Atom OD1 of residue 37
Atom CG of residue 37
Atom C of residue 37
Atom N of residue 37
Atom OG of residue 36
Atom C of residue 36
Atom CA of residue 36
SER
Atom OE2 of residue 35
Atom CD of residue 35
Atom CB of residue 35
Atom O of residue 115
Atom CA of residue 35
Atom CZ of residue 34
Atom CE1 of residue 34
Atom CD2 of residue 34
Atom CA of residue 34
PHE
Atom N of residue 34
Atom NZ of residue 33
Atom O of residue 33
Atom O of residue 78
Atom CA of residue 33
LYS
Atom N of residue 33
ALA
Atom CB of residue 30
Atom CG1 of residue 29
Atom O of residue 29
VAL
Atom CZ2 of residue 28
Atom CE3 of residue 28
Atom CE2 of residue 28
Atom NE1 of residue 28
Atom CD1 of residue 28
Atom CG of residue 28
Atom CB of residue 28
Atom C of residue 28
Atom CA of residue 28
Atom N of residue 28
Atom ND2 of residue 27
Atom CG of residue 27
Atom CB of residue 27
Atom NE of residue 112
Atom N of residue 27
Atom O of residue 26
Atom C of residue 26
Atom CD1 of residue 25
Atom CG of residue 25
Atom CB of residue 25
LEU
Atom N of residue 25
Atom OG of residue 24
Atom CB of residue 24
Atom O of residue 24
Atom C of residue 24
Atom CA of residue 24
Atom OH of residue 23
Atom CE2 of residue 23
Atom CD1 of residue 23
TYR
Atom N of residue 23
Atom O of residue 22
Atom C of residue 22
Atom CA of residue 22
Atom N of residue 119
GLY
Atom NH2 of residue 21
Atom CZ of residue 21
Atom NE of residue 21
Atom CD of residue 21
Atom CG of residue 21
Atom O of residue 21
Atom C of residue 21
Atom CA of residue 21
ARG
Atom N of residue 21
Atom OH of residue 20
Atom CG of residue 116
Atom CE2 of residue 20
Atom CE1 of residue 20
Atom CD2 of residue 20
Atom CB of residue 20
THR
Atom ND2 of residue 19
Atom CG of residue 19
Atom CB of residue 19
Atom OD2 of residue 18
Atom OD1 of residue 18
Atom SG of residue 80
Atom CB of residue 18
Atom CA of residue 18
ASP
Atom N of residue 18
Atom CB of residue 114
Atom CD1 of residue 17
Atom CG of residue 17
Atom CB of residue 17
Atom C of residue 17
LEU
Atom CZ3 of residue 63
Atom CA of residue 16
Atom NE2 of residue 15
P24
Atom ND1 of residue 15
P37
Atom CB of residue 15
Atom O of residue 15
Atom CA of residue 15
HIS
Atom N of residue 15
Atom NH2 of residue 14
Atom NH1 of residue 14
Atom CZ of residue 14
Atom NE of residue 14
Atom CB of residue 14
Atom O of residue 14
Atom N of residue 77
Atom C of residue 14
Atom CA of residue 14
Atom CE of residue 33
Atom N of residue 14
Atom NZ of residue 13
Atom CD of residue 13
Atom CG of residue 13
Atom O of residue 112
Atom CB of residue 13
LYS
Atom CG of residue 12
Atom CA of residue 12
MET
Atom C of residue 11
Atom N of residue 11
Atom CB of residue 10
Atom O of residue 10
Atom CA of residue 10
P47
Atom N of residue 10
Atom N of residue 35
Atom C of residue 9
Atom CA of residue 9
Atom CD1 of residue 8
Atom CG of residue 8
Atom CB of residue 8
Atom O of residue 31
Atom OE1 of residue 7
Atom C of residue 31
Atom CD of residue 7
Atom CB of residue 7
Atom CB of residue 75
Atom CA of residue 7
Atom SG of residue 6
Atom C of residue 6
CYS
Atom NH1 of residue 5
Atom CZ of residue 5
Atom CB of residue 5
Atom O of residue 5
Atom CA of residue 5
Atom N of residue 5
Atom O of residue 32
Atom C of residue 4
Atom CZ of residue 3
Atom CE1 of residue 3
Atom CD2 of residue 3
Atom CD1 of residue 3
Atom N of residue 75
Atom CG of residue 3
Atom CB of residue 3
Atom CA of residue 3
Atom N of residue 3
Atom CG2 of residue 2
Atom N of residue 29
Atom CG1 of residue 2
Atom CB of residue 2
VAL
Atom CE of residue 1
Atom CD of residue 1
Atom CG of residue 1
Atom CB of residue 1
Atom O of residue 1
Atom CA of residue 1
Chain A
6lyz.pdb
Atom N of residue 1
P1
Atom C of residue 27
Model 14
DiameterRestraint4
Atom CA of residue 76
Atom CD2 of residue 75
Atom N of residue 30
Atom CD1 of residue 75
Atom CG2 of residue 29
ARG
Atom ND2 of residue 74
Atom CA of residue 6
Atom CH2 of residue 63
LEU
P8
Atom CD2 of residue 83
Atom C of residue 15
Atom CB of residue 83
GLY
Atom N of residue 26
ALA
Atom CB of residue 81
Atom N of residue 68
Atom CA of residue 81
Atom CB of residue 80
Atom O of residue 18
Atom O of residue 80
Atom C of residue 80
Atom CA of residue 80
Atom CB of residue 6
Atom CA of residue 79
Atom O of residue 4
ASN
Model 17
Atom CE of residue 13
Atom CZ3 of residue 62
Atom O of residue 13
Atom C of residue 52
Atom O of residue 72
Atom CZ of residue 23
P0
Atom CB of residue 55
Atom N of residue 128
P0
Atom CA of residue 20
LYS
Atom C of residue 18
Fit restraint
Atom CZ of residue 20
Atom C of residue 3
ASN
Atom C of residue 55
Atom C of residue 111
Atom CB of residue 106
ILE
Atom CB of residue 32
GLY
Atom CA of residue 49
Atom O of residue 74
Atom ND2 of residue 37
Atom NE of residue 45
P12
Atom CD2 of residue 25
P14 RigidBodyHierarchy 2
P8 RigidBodyHierarchy 2
P1 RigidBodyHierarchy 9
SingletonConstraint 3
Atom SG of residue 94
SingletonModifier 3
Atom C of residue 124
DiameterRestraint center
RestraintSet 23
RestraintSet 22
TupleRestraint 5
UnaryFunction15
connectivity list
ConnectivityRestraint 6
GridCPF
RigidCPF
KClosePairsPairScore 6
Atom CG of residue 20
UnaryFunction14
LeavesRefiner6
ExcludedVolumeRestraint8
ListSingletonContainer16
P14 rigid body positions
AccumulateRigidBodyDerivatives41
Atom OD1 of residue 27
P8 rigid body positions
AccumulateRigidBodyDerivatives40
UpdateRigidBodyMembers40
UpdateRigidBodyMembers39
P1 rigid body positions
UpdateRigidBodyMembers38
NullModifier7
NormalizeRotation7
P16
P15
P13
P11
P10
Atom CA of residue 8
P9
P6
P3
Atom OD1 of residue 113
P2
Model 10
Atom O of residue 106
P253 RigidBodyHierarchy 1
P1 RigidBodyHierarchy 8
P177 RigidBodyHierarchy 0
SingletonConstraint 2
SingletonModifier 2
FixedRefiner2
RestraintSet 20
DiameterRestraint2
connectivity list
ListSingletonContainer15
TupleRestraint 4
GridCPF
PairScore 5
LeavesRefiner5
SoftSpherePairScore 7
ExcludedVolumeRestraint7
AccumulateRigidBodyDerivatives37
UpdateRigidBodyMembers37
P177 rigid body positions
AccumulateRigidBodyDerivatives35
DiameterRestraint center
UpdateRigidBodyMembers35
P74 rigid body positions
AccumulateRigidBodyDerivatives34
Atom CB of residue 21
UpdateRigidBodyMembers34
AccumulateRigidBodyDerivatives33
UpdateRigidBodyMembers33
UpdateRigidBodyMembers32
normalize rigid bodies
NullModifier6
P355
P354
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom CZ of residue 5
Atom N of residue 129
Atom CD of residue 5
Atom CB of residue 5
Atom O of residue 5
Atom C of residue 5
Atom CA of residue 5
Atom CG of residue 128
ARG
Atom O of residue 4
Atom C of residue 4
Atom CA of residue 4
GLY
Atom N of residue 4
Atom CE1 of residue 3
Atom CD1 of residue 3
Atom CB of residue 3
Atom O of residue 3
Atom C of residue 3
ASN
Atom CA of residue 3
PHE
Atom N of residue 3
Atom CG2 of residue 2
Atom CG1 of residue 2
Atom CB of residue 2
Atom O of residue 2
VAL
Atom CA of residue 2
Atom N of residue 2
P2
Atom NZ of residue 1
Atom CE of residue 1
Atom CD of residue 1
SER
Atom CB of residue 1
Atom O of residue 1
Atom C of residue 1
LYS
simple_input.pdb
Atom C of residue 40
DiameterRestraint3
Atom NH2 of residue 5
Atom NH1 of residue 5
Atom CZ of residue 5
Atom NE of residue 5
Atom CD of residue 5
Atom CB of residue 5
Atom CD2 of residue 8
Atom C of residue 4
Atom CA of residue 4
GLY
Atom N of residue 4
Atom CZ of residue 3
Atom CE2 of residue 3
Atom CE1 of residue 3
Atom N of residue 85
LEU
Atom CD2 of residue 3
P31
Atom CD1 of residue 3
Atom O of residue 3
Atom CA of residue 3
PHE
P19
Atom N of residue 84
Atom CG2 of residue 2
Atom CB of residue 2
Atom O of residue 2
Atom CA of residue 2
Atom C of residue 83
VAL
Atom O of residue 36
Atom N of residue 2
Atom CE of residue 1
Atom CB of residue 1
Atom CA of residue 1
LYS
Atom CZ of residue 112
ASN
P252
ARG
Atom N of residue 5
Atom N of residue 3
PairScore 9
VAL
Atom N of residue 2
simple_input.pdb
ARG
GLY
Atom C of residue 4
PHE
LYS
Chain A
simple_input.pdb
Atom C of residue 1
Atom NH2 of residue 5
Atom NE of residue 5
Atom NH1 of residue 5
Atom CZ of residue 5
Atom NE of residue 5
Atom CD of residue 5
GLU
Atom CG of residue 5
P14
Atom O of residue 5
Atom C of residue 5
CYS
ARG
P10
Atom N of residue 127
Atom CA of residue 6
Atom N of residue 5
Atom O of residue 126
Atom O of residue 4
Atom C of residue 126
Atom C of residue 4
Atom CA of residue 126
Atom CA of residue 4
GLY
GLY
Atom N of residue 126
Atom N of residue 4
Atom CZ of residue 3
Atom CZ of residue 125
Atom CE1 of residue 3
Atom NE of residue 125
Atom CD2 of residue 3
Atom CD of residue 125
Atom O of residue 3
Atom CD1 of residue 3
Atom CB of residue 125
Atom O of residue 7
Atom CB of residue 3
Atom O of residue 125
Atom O of residue 3
Atom C of residue 125
Atom C of residue 3
Atom CA of residue 125
Atom CA of residue 3
ARG
PHE
Atom N of residue 3
Atom CG1 of residue 2
Atom CG1 of residue 124
Atom CB of residue 2
Atom O of residue 124
Atom C of residue 2
Atom CA of residue 2
VAL
Atom N of residue 2
Atom NZ of residue 1
Atom CE of residue 1
Atom CZ3 of residue 123
Atom CD of residue 1
Atom CG of residue 1
Atom CB of residue 1
Chain A
Atom O of residue 68
P177
P176
Atom CZ of residue 5
Atom N of residue 100
Atom O of residue 52
Atom CD of residue 5
Atom CG of residue 5
P22
Atom O of residue 5
Atom CA of residue 5
Atom O of residue 46
ARG
Atom N of residue 5
ASN
Atom O of residue 4
Atom CA of residue 4
GLY
Atom N of residue 4
Atom CZ of residue 3
Atom CD2 of residue 3
Atom CB of residue 3
Atom OD1 of residue 119
Atom O of residue 3
Atom CA of residue 3
Atom C of residue 110
Atom N of residue 3
Atom CB of residue 2
Atom O of residue 2
Atom CA of residue 116
Atom CA of residue 2
VAL
P2
Atom N of residue 2
Atom CE of residue 1
Atom CG of residue 1
Atom C of residue 1
Atom CG of residue 74
Atom CA of residue 1
LYS
simple_input.pdb
Atom O of residue 129
P124
Atom NH1 of residue 5
Atom NE of residue 5
Atom CD of residue 5
Atom CG of residue 5
Atom C of residue 5
Atom CA of residue 5
ARG
Atom O of residue 4
Atom C of residue 4
Atom CA of residue 4
Atom N of residue 4
Atom CE1 of residue 3
Atom CD2 of residue 3
Atom CG of residue 3
Atom CB of residue 3
Atom O of residue 3
Atom C of residue 3
Atom O of residue 57
Atom CA of residue 3
PHE
Atom CG2 of residue 2
Atom CA of residue 2
VAL
Atom N of residue 2
Atom NZ of residue 1
Atom CG of residue 1
LYS
Chain A
simple_input.pdb
Atom N of residue 83
Atom N of residue 1
Atom NE of residue 73
P74
ARG
PHE
VAL
Atom O of residue 121
Atom CB of residue 2
LYS
simple_input.pdb
Atom CB of residue 1
Atom CA of residue 4
PHE
VAL
LYS
Chain A
Atom CH2 of residue 28
Atom CE2 of residue 3
simple_input.pdb
Atom CA of residue 1
Atom CG2 of residue 2
Atom NH1 of residue 5
Atom CA of residue 45
Atom NE of residue 5
Atom CB of residue 5
simple_input.pdb
ARG
Atom CG of residue 3
Atom O of residue 4
Atom O of residue 117
RestraintSet 19
Atom C of residue 4
Chain A
Atom CD2 of residue 3
Atom C of residue 4
Atom O of residue 3
Atom CA of residue 3
Atom N of residue 3
Atom CG2 of residue 2
NormalizeRotation6
Atom CB of residue 2
P30
PHE
Atom O of residue 2
ARG
Atom CA of residue 2
Atom CD of residue 96
Atom N of residue 2
P15
Atom CB of residue 1
simple_input.pdb
Atom CB of residue 36
KClosePairsPairScore 2
NullModifier2
P1
P0
ARG
Chain A RigidBodyHierarchy 15
ListSingletonContainer17
P74 RigidBodyHierarchy 4
Atom N of residue 3
P74 RigidBodyHierarchy 3
Atom CG1 of residue 2
Chain A RigidBodyHierarchy 11
Atom CZ of residue 53
RestraintSet 14
Atom C of residue 3
connectivity list
PairScore 3
ListSingletonContainer13
Chain A rigid body positions
Atom C of residue 54
Chain A rigid body positions
UpdateRigidBodyMembers28
UpdateRigidBodyMembers27
AccumulateRigidBodyDerivatives26
UpdateRigidBodyMembers26
Atom CA of residue 9
P1
normalize rigid bodies
NormalizeRotation5
Atom O of residue 99
P355
RigidCPF
Atom N of residue 32
Atom NH2 of residue 5
Atom NE of residue 5
Atom N of residue 66
Atom CA of residue 4
Atom C of residue 5
Atom NE1 of residue 108
Atom O of residue 4
Atom C of residue 4
GLY
Atom CE2 of residue 3
Atom CE1 of residue 3
Atom CD1 of residue 3
Atom C of residue 3
PHE
GLY
Atom CG2 of residue 2
Atom CB of residue 2
Atom CZ of residue 3
VAL
Atom CE of residue 1
Atom CD of residue 1
Atom CG1 of residue 2
Atom C of residue 1
Atom N of residue 1
THR
P303
Atom NH1 of residue 5
Atom CD of residue 5
Atom C of residue 94
Atom O of residue 5
Atom C of residue 5
Atom CD of residue 5
Atom N of residue 5
Atom CE2 of residue 3
Atom CD2 of residue 3
P0
PHE
P4 rigid body positions
Atom O of residue 3
PHE
Atom O of residue 47
Atom CG1 of residue 2
Atom CE of residue 1
Atom CD of residue 1
Atom CG of residue 5
Atom CA of residue 67
Atom O of residue 1
Atom C of residue 122
Atom N of residue 82
Atom C of residue 1
AccumulateRigidBodyDerivatives29
P9
ASN
Chain A
P21
simple_input.pdb
P253
Atom CD2 of residue 3
P252
Atom N of residue 79
normalize rigid bodies
ARG
PHE
Atom N of residue 3
ARG
Atom N of residue 2
Atom N of residue 3
LYS
Chain A
Atom C of residue 4
PHE
Atom C of residue 3
Atom C of residue 2
Atom CB of residue 42
Chain A
Atom N of residue 17
Atom C of residue 1
Atom NH2 of residue 5
P16
Atom CB of residue 2
LYS
Atom NH1 of residue 5
P38
Atom CG of residue 5
Atom CB of residue 5
Atom CA of residue 5
Atom C of residue 44
ARG
Atom N of residue 5
Atom N of residue 44
Atom C of residue 4
Atom CA of residue 4
Atom CG of residue 3
Atom CE2 of residue 3
Atom CE1 of residue 3
Atom CE2 of residue 38
Atom CG of residue 3
Atom CD1 of residue 124
Atom CA of residue 3
Atom CG of residue 3
Atom CG2 of residue 2
Atom CA of residue 2
Atom CG of residue 5
Atom CB of residue 2
Atom O of residue 2
Atom CA of residue 2
Atom N of residue 41
Atom CZ2 of residue 123
Atom N of residue 5
Atom NZ of residue 1
Atom CG2 of residue 40
Atom CE of residue 1
Atom CB of residue 79
Atom CA of residue 1
Atom CA of residue 1
Atom CG of residue 116
LYS
Atom CA of residue 11
ListSingletonContainer14
Atom CG of residue 83
Atom CG of residue 5
Atom O of residue 40
P253 rigid body positions
Chain A
Atom C of residue 3
P176
Atom C of residue 19
P175
Atom CB of residue 77
Chain A RigidBodyHierarchy 8
Atom NH2 of residue 5
Atom NH1 of residue 5
Atom CD of residue 5
Atom OD1 of residue 27
Atom CG of residue 5
ARG
Atom CG of residue 1
Atom CD of residue 14
Atom CB of residue 5
ARG
Atom C of residue 4
Atom CA of residue 4
Atom CA of residue 5
PHE
Atom CG2 of residue 2
RestraintSet 25
Atom O of residue 2
Atom CE of residue 1
Atom CD of residue 1
Atom CB of residue 1
Atom CA of residue 1
Atom O of residue 1
Atom CA of residue 3
Chain A
PHE
simple_input.pdb
Atom N of residue 1
Atom CZ of residue 3
Atom NH2 of residue 5
Atom CZ of residue 5
Atom CD of residue 5
Atom CG2 of residue 2
Atom N of residue 5
Atom CB of residue 5
Atom O of residue 5
Atom CA of residue 5
Atom CB of residue 3
ARG
Atom O of residue 4
Atom C of residue 4
P0
Atom CA of residue 4
Atom CE3 of residue 108
GLY
Atom C of residue 25
Atom CZ of residue 3
Atom CE1 of residue 3
Atom CG1 of residue 2
Atom CD1 of residue 3
Atom CG of residue 93
Atom C of residue 4
Atom CG of residue 3
Atom CB of residue 3
Atom CA of residue 3
Atom CG2 of residue 2
Atom C of residue 18
Atom CB of residue 2
ASP
Atom O of residue 2
VAL
Atom CB of residue 3
Atom N of residue 2
Atom N of residue 1
Atom CB of residue 1
Atom C of residue 1
Atom CB of residue 57
Atom O of residue 1
Atom C of residue 1
P251
Atom CA of residue 1
Atom CB of residue 5
Chain A
Atom CB of residue 106
Atom N of residue 1
Atom CA of residue 4
KClosePairsPairScore 4
P74
UpdateRigidBodyMembers16
ARG
PHE
Atom OD1 of residue 48
Atom CE1 of residue 3
VAL
GLY
Atom CB of residue 3
Atom CZ of residue 5
Atom CD2 of residue 20
VAL
normalize rigid bodies
Atom CB of residue 2
Frag1
LYS
VAL
Atom C of residue 59
simple_input.pdb
Atom CB of residue 1
Atom N of residue 61
ARG
Atom CA of residue 4
Atom CA of residue 3
P2
simple_input.pdb
Atom CA of residue 2
Atom CB of residue 113
Atom C of residue 16
LYS
Atom CG of residue 111
Chain A
P125 rigid body positions
Atom CA of residue 3
Atom CA of residue 1
Atom CB of residue 1
P51
Atom NH2 of residue 5
Atom NH1 of residue 5
Atom O of residue 5
Atom C of residue 5
ARG
Atom NZ of residue 1
Atom N of residue 5
Atom O of residue 4
Atom CE1 of residue 3
Atom C of residue 4
Atom CA of residue 4
Atom N of residue 4
GLY
Atom CG2 of residue 109
Atom CE1 of residue 3
Atom CB of residue 3
Atom CD2 of residue 3
Atom N of residue 110
Atom CD of residue 57
Atom CG of residue 14
Atom O of residue 3
P26
Atom CD2 of residue 15
Atom N of residue 1
Atom C of residue 3
Atom CD1 of residue 108
Atom O of residue 2
Atom CA of residue 2
Atom N of residue 58
VAL
Atom CE of residue 1
GLY
Atom CA of residue 4
Atom CD of residue 1
Atom CB of residue 5
Atom CG of residue 1
Atom O of residue 1
DistancePairScore 6
Atom C of residue 107
P253
Atom C of residue 1
simple_input.pdb
P1
Atom C of residue 2
RestraintSet 13
ALA
LYS
Fit restraint
P7
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/input/data/in.mrc
P5
RestraintSet 12
Atom NH1 of residue 5
RestraintSet 11
P16
Atom O of residue 127
ARG
P15
UpdateRigidBodyMembers24
Atom CD1 of residue 75
P14
P12
Atom CG1 of residue 2
P11
Atom CA of residue 2
ARG
P8
Atom CZ of residue 5
P7
Atom NH2 of residue 128
P6
P5
Atom N of residue 80
P4
Atom O of residue 2
P2
Atom NH2 of residue 5
AccumulateRigidBodyDerivatives21
P303 RigidBodyHierarchy 1
Atom CB of residue 27
P51 RigidBodyHierarchy 3
P1 RigidBodyHierarchy 5
Atom C of residue 4
UpdateRigidBodyMembers23
RestraintSet 10
ARG
Atom CA of residue 5
Atom NZ of residue 1
TupleRestraint 2
Atom NE of residue 5
DistancePairScore 2
UnaryFunction7
TupleRestraint 1
Atom O of residue 98
DistancePairScore 1
Atom N of residue 23
Atom CA of residue 2
TupleRestraint 0
UnaryFunction5
P3
Atom CD1 of residue 55
LYS
SoftSpherePairScore 4
P251 RigidBodyHierarchy 0
ListSingletonContainer11
AccumulateRigidBodyDerivatives24
Chain A rigid body positions
AccumulateRigidBodyDerivatives23
Atom N of residue 5
Chain A rigid body positions
Atom N of residue 2
AccumulateRigidBodyDerivatives22
Atom O of residue 4
Atom CA of residue 5
UpdateRigidBodyMembers22
P51 rigid body positions
Atom CG1 of residue 2
UpdateRigidBodyMembers21
AccumulateRigidBodyDerivatives20
P51 rigid body positions
NormalizeRotation4
Atom CD1 of residue 3
rigid bodies list
P1 rigid body positions
Atom C of residue 3
Atom NH1 of residue 5
Atom CZ of residue 5
P7
Atom CD of residue 5
Atom CG of residue 5
Atom O of residue 5
Atom C of residue 5
ARG
Atom CE1 of residue 3
Atom N of residue 5
Atom C of residue 4
Atom O of residue 4
Atom CZ of residue 3
Atom C of residue 4
AccumulateRigidBodyDerivatives32
Atom NH2 of residue 5
Atom CA of residue 4
Atom OD1 of residue 39
Atom CE2 of residue 3
Atom CD2 of residue 3
Atom CG2 of residue 2
Atom CA of residue 2
Atom CG1 of residue 2
Chain A
Atom CB of residue 2
P51
Atom O of residue 2
Atom CA of residue 2
Frag3
Atom NZ of residue 1
Atom CE of residue 1
Atom N of residue 2
Atom N of residue 42
Atom CB of residue 1
GLY
Atom O of residue 1
Atom C of residue 1
Chain A
Atom CA of residue 1
Atom CG of residue 3
LYS
Chain A
P125 RigidBodyHierarchy 0
simple_input.pdb
Atom O of residue 30
VAL
Atom N of residue 1
Atom O of residue 108
Atom CZ of residue 5
P304
Atom CD2 of residue 3
Atom CE of residue 12
Atom NH1 of residue 5
Atom CD of residue 41
Atom NE of residue 5
Atom O of residue 5
Atom CA of residue 5
Atom NH2 of residue 61
Chain A
ExcludedVolumeRestraint6
FixedRefiner4
AccumulateRigidBodyDerivatives28
ARG
Atom N of residue 5
Atom CA of residue 84
Atom C of residue 4
GLY
Atom CZ of residue 3
Atom CG1 of residue 2
Atom O of residue 11
Atom C of residue 37
Atom CE2 of residue 3
Atom CD1 of residue 83
Atom CE1 of residue 3
Atom CB of residue 40
Atom CD2 of residue 3
Atom CD1 of residue 3
P125
Atom CD2 of residue 123
Atom CG of residue 3
Atom O of residue 2
Atom O of residue 3
VAL
GLY
Atom CG2 of residue 2
Atom O of residue 1
Atom C of residue 2
Atom CE of residue 1
Atom NE of residue 5
Atom CG of residue 1
SAXS restraint
GLY
Atom CB of residue 1
Atom O of residue 1
Atom CZ of residue 3
Atom CA of residue 2
Atom C of residue 1
Chain A RigidBodyHierarchy 6
Atom CA of residue 1
Atom O of residue 3
Chain A
Atom C of residue 2
Atom N of residue 1
Atom CA of residue 14
ARG
Atom C of residue 107
Atom NZ of residue 1
Atom N of residue 3
VAL
Atom N of residue 2
Atom C of residue 45
Chain A
Atom CD of residue 1
Atom CG of residue 1
simple_input.pdb
Atom C of residue 2
Atom N of residue 5
Atom N of residue 1
ConnectivityRestraint 4
KClosePairsPairScore 1
Atom N of residue 58
ARG
Atom C of residue 5
PHE
Atom CB of residue 61
Atom C of residue 3
VAL
P1 rigid body positions
Atom CD of residue 1
LYS
Atom C of residue 2
CYS
simple_input.pdb
Atom CG of residue 63
Atom NH2 of residue 5
Atom CZ of residue 5
Atom N of residue 116
Atom NE of residue 5
P175
Atom C of residue 5
ARG
GLY
LYS
P303 rigid body positions
Atom NH1 of residue 5
Atom N of residue 4
P303
LYS
Atom CG of residue 3
KClosePairsPairScore 3
Atom CA of residue 3
LYS
PHE
Atom CZ of residue 5
P74 rigid body positions
AccumulateRigidBodyDerivatives2
Atom N of residue 3
Atom O of residue 4
normalize rigid bodies
Atom CG2 of residue 2
Atom CG1 of residue 2
Atom O of residue 2
GridCPF
Atom NH1 of residue 125
GLY
Atom CA of residue 2
Atom NZ of residue 1
Atom O of residue 49
Atom CE of residue 1
Atom O of residue 1
Atom C of residue 1
Atom CA of residue 1
Chain A RigidBodyHierarchy 0
Chain A
Atom NH1 of residue 5
Atom CG of residue 1
AccumulateRigidBodyDerivatives25
Atom CB of residue 5
Atom C of residue 5
Atom CB of residue 108
Atom C of residue 4
Atom CD2 of residue 3
Atom CB of residue 1
Atom C of residue 3
Atom CZ of residue 3
Atom O of residue 58
Atom CG2 of residue 2
Atom CA of residue 2
Atom N of residue 2
Atom CZ2 of residue 62
Atom CB of residue 1
Fit restraint scratch map
Atom CA of residue 1
LYS
P14 RigidBodyHierarchy 0
Atom N of residue 1
Atom N of residue 5
VAL
P125 RigidBodyHierarchy 1
Atom NH2 of residue 5
Atom N of residue 2
ConjugateGradients
Atom N of residue 3
P125
P0
Atom NE of residue 5
Atom O of residue 81
Atom C of residue 1
Atom CG of residue 5
Atom C of residue 5
ARG
Atom O of residue 4
Atom O of residue 2
ExcludedVolumeRestraint4
Atom O of residue 51
Atom ND2 of residue 46
Atom C of residue 4
Atom CA of residue 4
GLY
Chain A
Atom N of residue 4
SER
Atom CB of residue 52
Atom NE of residue 5
Atom N of residue 48
Atom CE2 of residue 3
Atom CB of residue 3
Atom O of residue 3
RestraintSet 18
Atom C of residue 3
PHE
Atom C of residue 2
VAL
Atom N of residue 2
Atom CG1 of residue 98
Atom CD of residue 1
Atom O of residue 54
Atom CG of residue 1
Atom CZ of residue 5
ASP
Atom C of residue 4
Atom O of residue 4
Atom C of residue 1
Atom CA of residue 110
P1 RigidBodyHierarchy 7
LYS
Chain A
Atom O of residue 20
Atom CD of residue 5
simple_input.pdb
Atom CG of residue 44
P74
Atom CD2 of residue 129
ARG
Atom O of residue 101
PHE
Atom CB of residue 3
P51 rigid body positions
Atom CG of residue 1
VAL
TupleRestraint 7
Atom CB of residue 1
Atom N of residue 4
Atom CB of residue 2
Atom CA of residue 25
Atom CD of residue 5
LYS
Atom CD of residue 1
Atom CA of residue 5
GLY
Atom CE of residue 1
P33
Atom CA of residue 4
Atom CG2 of residue 69
P51 RigidBodyHierarchy 4
VAL
Atom CA of residue 19
Atom CG of residue 1
Atom CA of residue 5
Chain A
simple_input.pdb
Atom CA of residue 1
P51
Atom NH1 of residue 5
PHE
Atom O of residue 1
Atom NE of residue 5
Atom CD of residue 5
Atom CG of residue 5
TRP
Atom C of residue 5
Atom C of residue 111
Atom N of residue 5
Atom CG2 of residue 120
Atom O of residue 4
SampledDensityMap0
Atom C of residue 98
Atom N of residue 4
Atom CE1 of residue 3
RestraintSet 15
Atom CB of residue 3
Atom CD2 of residue 3
Atom CB of residue 62
Atom CD1 of residue 3
Atom CG of residue 3
Atom N of residue 3
Atom CG2 of residue 2
Atom CB of residue 2
Atom CA of residue 4
Atom O of residue 2
Atom C of residue 2
Atom CA of residue 3
VAL
Atom N of residue 2
Atom NZ of residue 1
Atom O of residue 5
Atom CB of residue 1
ILE
Atom O of residue 1
Atom O of residue 71
simple_input.pdb
P1
P0
Atom C of residue 2
Atom NE of residue 5
Model 5
Atom C of residue 5
ListSingletonContainer10
Atom N of residue 3
UpdateRigidBodyMembers9
Atom CG of residue 5
Atom CG of residue 5
Atom O of residue 6
ListSingletonContainer9
Atom O of residue 37
Atom CE of residue 1
Atom C of residue 5
LYS
Atom CA of residue 33
ListSingletonContainer6
pdb_log_000.py
Atom C of residue 48
Atom CB of residue 3
Atom CA of residue 1
Atom CA of residue 44
P1137
Atom CD2 of residue 129
Atom CA of residue 5
Atom CG of residue 129
Atom CB of residue 129
THR
P1 RigidBodyHierarchy 3
Atom C of residue 129
rigid bodies list
Atom N of residue 43
Atom CA of residue 129
Atom CG of residue 1
LEU
Atom N of residue 129
ALA
Atom CZ of residue 128
Atom N of residue 5
Atom NE of residue 128
P21
Atom OE1 of residue 41
Atom CG of residue 128
Atom CD of residue 41
Atom CB of residue 128
Atom O of residue 128
Atom CG of residue 1
Atom C of residue 128
Atom O of residue 41
Atom CA of residue 128
ARG
Atom CG of residue 106
Atom CA of residue 3
Atom CZ2 of residue 63
simple_input.pdb
Atom N of residue 128
P1 rigid body positions
Atom N of residue 88
P1134
ModelScoringFunction5
Atom CG2 of residue 40
Atom O of residue 127
Atom N of residue 2
Atom C of residue 127
Atom C of residue 92
Atom CB of residue 40
Atom CA of residue 127
SingletonModifier 5
P25
Atom NE of residue 5
Atom CD of residue 5
Atom N of residue 127
Atom O of residue 126
P5
Atom C of residue 126
Atom N of residue 126
Atom NH2 of residue 125
Atom O of residue 2
Atom CZ of residue 125
Atom NE of residue 125
Atom CD of residue 125
ASN
Atom CG of residue 125
Atom N of residue 39
Atom CB of residue 125
ARG
Atom CE1 of residue 3
Atom CZ of residue 5
Atom CA of residue 42
Atom N of residue 125
Atom CG2 of residue 124
Atom CG1 of residue 124
UnaryFunction17
Atom CA of residue 2
Atom CB of residue 124
Atom CD2 of residue 63
Atom CA of residue 61
Atom N of residue 2
Atom O of residue 3
Atom O of residue 124
Atom C of residue 124
Atom CG2 of residue 88
Atom N of residue 38
Atom CA of residue 124
Atom O of residue 41
ILE
Atom C of residue 41
Atom N of residue 124
ConjugateGradients
Atom CZ3 of residue 123
Atom N of residue 3
Atom CE3 of residue 123
Atom CA of residue 87
Atom CB of residue 2
Atom CD1 of residue 123
Atom CB of residue 123
ListSingletonContainer7
Atom C of residue 5
Atom CB of residue 2
Atom CB of residue 122
ALA
Chain A
Atom O of residue 122
Atom NH1 of residue 5
RestraintSet 16
P74 rigid body positions
rigid bodies list
Atom OG of residue 81
Atom CA of residue 122
Atom CA of residue 36
Atom OE1 of residue 121
GLY
Atom O of residue 8
Atom CG of residue 121
Atom CA of residue 34
Atom CB of residue 79
Atom O of residue 120
Atom O of residue 79
Atom C of residue 120
Atom CA of residue 120
Atom CG1 of residue 78
Atom O of residue 33
PairScore 2
Atom CB of residue 119
UpdateRigidBodyMembers29
Atom CB of residue 78
Atom C of residue 33
Atom O of residue 119
Atom CG1 of residue 2
Atom CG2 of residue 2
Atom O of residue 78
Atom C of residue 119
P11
ListSingletonContainer12
Atom CA of residue 119
Atom C of residue 1
Atom N of residue 119
Atom CG2 of residue 118
ConnectivityRestraint 9
Atom OG1 of residue 118
Atom C of residue 2
P303 rigid body positions
Atom CD1 of residue 78
Atom CG of residue 33
Atom O of residue 118
Atom CG of residue 18
Atom CA of residue 118
THR
Atom CZ of residue 3
Atom N of residue 118
ALA
Atom O of residue 117
Atom C of residue 117
Atom CG of residue 3
GLY
ListSingletonContainer5
Atom N of residue 117
Chain A
Atom CA of residue 3
Atom CD of residue 116
Atom O of residue 116
PRO
Atom C of residue 116
Atom CA of residue 116
Atom CG of residue 1
Atom NH1 of residue 125
Atom CE2 of residue 3
Atom N of residue 115
Atom ND2 of residue 77
Atom C of residue 32
PHE
Atom NH2 of residue 114
Atom O of residue 76
Atom N of residue 114
Atom O of residue 30
P14
Atom ND2 of residue 113
Atom O of residue 113
Atom NZ of residue 1
Atom C of residue 113
RestraintSet 9
RigidCPF
Atom CA of residue 113
Atom CB of residue 5
Atom O of residue 75
Atom N of residue 113
Atom CZ of residue 112
Atom CE2 of residue 23
Atom NE of residue 112
RigidCPF
Atom O of residue 112
KClosePairsPairScore 0
Atom C of residue 112
Atom C of residue 123
Atom CA of residue 112
PHE
Chain A
Atom N of residue 112
Atom CH2 of residue 111
Atom CZ3 of residue 111
Atom CE2 of residue 111
Atom NZ of residue 1
GLY
Atom NE1 of residue 111
Atom CG of residue 73
Atom CD2 of residue 111
AccumulateRigidBodyDerivatives43
Atom CB of residue 111
ALA
Atom CZ of residue 5
Atom CA of residue 73
Atom O of residue 111
Atom N of residue 95
Atom NE of residue 5
Atom CA of residue 4
Atom N of residue 4
Atom OG of residue 72
TRP
Atom N of residue 111
Atom CB of residue 110
Atom O of residue 110
Model 6
Atom CA of residue 72
Atom C of residue 110
Atom CB of residue 98
Chain A
Atom N of residue 110
Atom CG2 of residue 109
GLY
UnaryFunction16
Atom CB of residue 109
Atom N of residue 4
Atom O of residue 109
Atom CZ of residue 3
Atom C of residue 109
Atom CD2 of residue 23
Atom O of residue 1
VAL
Atom CH2 of residue 108
AccumulateRigidBodyDerivatives0
Atom CZ3 of residue 108
Atom OXT of residue 129
Atom CD2 of residue 108
Atom CD1 of residue 108
Atom CB of residue 91
Atom CG2 of residue 2
GLY
Atom CG of residue 108
Atom CG2 of residue 118
Atom O of residue 108
Atom C of residue 108
Atom O of residue 3
Atom C of residue 2
Atom NH1 of residue 21
Atom CA of residue 108
Chain A RigidBodyHierarchy 10
TRP
Atom ND2 of residue 46
Atom CB of residue 90
VAL
Atom N of residue 108
P354
Atom O of residue 3
ALA
GLY
Atom N of residue 107
Atom N of residue 4
Atom ND2 of residue 106
Atom OD1 of residue 106
Atom SD of residue 105
P2
TYR
LYS
Atom C of residue 105
Atom CH2 of residue 62
Atom CA of residue 105
MET
Atom N of residue 105
Atom O of residue 44
Chain A
TupleRestraint 3
UpdateRigidBodyMembers31
Atom C of residue 66
Atom CG of residue 5
P304
Atom CG of residue 1
Atom O of residue 104
Atom CB of residue 5
Atom N of residue 1
Atom CB of residue 1
Atom CE2 of residue 62
Chain A rigid body positions
Atom CE2 of residue 3
Atom C of residue 104
Atom CA of residue 104
ConnectivityRestraint 7
Atom CG of residue 39
WriteOptimizerState0
Atom N of residue 104
Atom CD2 of residue 17
P4
Atom OD1 of residue 103
AccumulateRigidBodyDerivatives13
Atom O of residue 103
Atom C of residue 5
Atom C of residue 103
Atom N of residue 103
Atom N of residue 12
Atom O of residue 102
Atom OD2 of residue 101
Atom OD1 of residue 101
LYS
Atom N of residue 101
Atom O of residue 2
Atom OG of residue 100
Atom C of residue 2
Atom CB of residue 100
Atom C of residue 100
Atom CA of residue 100
SER
Atom N of residue 100
Chain A
SingletonConstraint 1
PHE
Atom CG1 of residue 99
Atom CA of residue 99
Chain A
VAL
Atom N of residue 99
ILE
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom N of residue 98
Atom CD of residue 97
Atom CG of residue 97
Atom CB of residue 97
Atom O of residue 97
VAL
Atom C of residue 97
Atom CD1 of residue 3
Atom CA of residue 5
Atom CA of residue 97
Atom N of residue 97
Atom CD of residue 1
Atom CE of residue 96
Atom CD2 of residue 3
Atom CD of residue 96
Atom CG2 of residue 98
Atom CA of residue 2
Atom CA of residue 95
Atom CA of residue 94
CYS
Atom ND2 of residue 93
Atom CD1 of residue 3
Atom N of residue 2
Atom OD1 of residue 93
Atom O of residue 93
Atom CG2 of residue 92
Atom NZ of residue 1
Atom C of residue 92
VAL
Atom O of residue 48
Atom CG of residue 3
Atom N of residue 92
ALA
Atom CD1 of residue 88
Atom CG2 of residue 88
P43
Atom CG1 of residue 88
Atom CB of residue 88
P28
Atom O of residue 88
GLY
ILE
Atom CZ of residue 3
Atom OD2 of residue 87
Atom NH2 of residue 5
Atom OD1 of residue 87
P4 RigidBodyHierarchy 0
Atom CG of residue 87
P6
Atom CZ of residue 5
Atom CB of residue 87
Atom O of residue 5
ASP
Atom C of residue 5
Atom C of residue 3
Atom N of residue 87
Atom OG of residue 86
Atom CB of residue 86
Atom C of residue 86
SER
Atom CZ of residue 38
Atom N of residue 86
Atom OG of residue 85
Atom CE1 of residue 38
Atom CB of residue 85
Atom CE2 of residue 3
Atom CD2 of residue 38
Atom O of residue 85
LYS
Atom C of residue 85
Atom CD of residue 5
Atom CA of residue 85
Atom CB of residue 3
Atom N of residue 85
Atom SD of residue 12
Atom CD2 of residue 84
AccumulateRigidBodyDerivatives31
Atom CD1 of residue 84
Atom CB of residue 12
Atom CG of residue 84
Atom C of residue 88
Atom CA of residue 4
Atom O of residue 12
Atom CB of residue 84
Atom N of residue 4
Atom C of residue 12
Atom ND2 of residue 37
Atom O of residue 84
SingletonModifier 4
P51 RigidBodyHierarchy 5
Atom CH2 of residue 123
Model 16
Atom N of residue 84
Atom CD2 of residue 83
Atom C of residue 83
Atom CA of residue 83
Atom O of residue 123
LEU
Atom CZ of residue 5
Atom N of residue 2
Atom O of residue 67
Atom N of residue 83
Atom CD of residue 5
Atom O of residue 82
Atom CA of residue 3
Atom CB of residue 81
Atom N of residue 122
Atom O of residue 81
GridCPF
Atom N of residue 15
Atom O of residue 2
Atom NE2 of residue 121
Atom C of residue 81
Atom CD of residue 121
SER
Atom CA of residue 2
Atom N of residue 81
GLY
Atom C of residue 80
Atom CA of residue 80
P14
Atom CG of residue 34
CYS
P16
Atom CG2 of residue 120
Atom CB of residue 34
Atom N of residue 80
Atom O of residue 34
Atom CD of residue 79
P22
Atom CB of residue 120
Atom CG of residue 79
Atom CA of residue 110
Atom N of residue 3
P8
simple_input.pdb
Atom C of residue 79
Atom CA of residue 79
Atom CA of residue 37
Atom N of residue 120
Atom CE of residue 33
PRO
Atom OD2 of residue 119
Atom N of residue 79
Atom NH2 of residue 5
LEU
Chain1
Chain A
Atom OD1 of residue 119
Atom CD1 of residue 78
GLY
Atom CG2 of residue 78
ILE
Atom N of residue 36
Atom NE of residue 5
Atom N of residue 78
Atom ND2 of residue 77
Atom CG of residue 3
Atom C of residue 129
ARG
Atom OD1 of residue 77
Atom CG of residue 77
Atom CB of residue 77
Atom O of residue 77
LYS
Atom C of residue 77
Atom CA of residue 77
ASN
Atom CG of residue 5
Atom N of residue 77
Atom CE2 of residue 34
Atom CB of residue 76
Atom CE2 of residue 3
Atom O of residue 76
Atom N of residue 107
AccumulateRigidBodyDerivatives27
Atom C of residue 128
Atom CD of residue 5
Atom CD2 of residue 75
P176
Atom NZ of residue 116
Atom O of residue 75
Atom N of residue 7
Atom CB of residue 116
Atom C of residue 75
Atom C of residue 127
Atom CG of residue 7
LEU
Atom N of residue 75
Atom N of residue 116
Atom OD1 of residue 74
Atom CB of residue 115
Atom CB of residue 74
Atom C of residue 115
Atom C of residue 74
Atom CB of residue 1
Atom NH2 of residue 73
Atom N of residue 56
Atom CA of residue 1
Atom N of residue 32
Chain A
Atom NE of residue 114
Atom NE of residue 73
Atom CB of residue 31
Atom CD of residue 114
Atom CD of residue 73
Atom CB of residue 114
Atom CB of residue 73
Atom CA of residue 31
Atom O of residue 114
Atom O of residue 73
Atom N of residue 125
Atom CA of residue 114
P8 rigid body positions
Atom CA of residue 73
Atom SG of residue 30
ARG
ARG
Atom N of residue 73
Atom CA of residue 30
Atom CG of residue 113
Atom O of residue 72
Atom N of residue 2
Atom CA of residue 72
Atom C of residue 2
Atom CA of residue 71
Atom CG of residue 123
connectivity list
Atom O of residue 70
Atom CG of residue 96
Atom CB of residue 123
Atom C of residue 70
Atom C of residue 1
Atom CA of residue 70
Atom C of residue 3
PRO
Atom CB of residue 95
Atom O of residue 122
Atom O of residue 69
Atom O of residue 95
Atom C of residue 122
Atom C of residue 69
Atom CA of residue 122
Atom CA of residue 69
Atom NH2 of residue 68
Atom CA of residue 2
Atom O of residue 1
Atom NH1 of residue 68
Atom CD of residue 68
Atom O of residue 68
ARG
Atom N of residue 68
Atom N of residue 120
Atom N of residue 67
Atom CA of residue 66
Atom N of residue 66
Atom ND2 of residue 65
GLY
Atom CA of residue 3
Atom C of residue 91
Atom CD of residue 1
Atom OD1 of residue 65
LEU
Atom CA of residue 64
Atom CA of residue 1
Atom N of residue 64
Atom CA of residue 3
Atom CH2 of residue 63
Atom NZ of residue 1
Atom NH1 of residue 5
Atom NE1 of residue 63
Atom CB of residue 1
Atom CA of residue 106
Atom CD2 of residue 63
Atom N of residue 1
Atom CD1 of residue 63
Atom CB of residue 63
Atom O of residue 63
Atom C of residue 3
Atom O of residue 26
Atom C of residue 63
Atom N of residue 4
Atom C of residue 2
TRP
Atom CZ of residue 3
Atom N of residue 63
Atom CZ of residue 5
Atom C of residue 13
Atom CE1 of residue 3
Chain A
Atom CZ3 of residue 62
Atom CD of residue 5
Atom CD1 of residue 3
UnaryFunction11
Atom CZ2 of residue 62
Atom NH2 of residue 114
Atom CE3 of residue 62
Atom O of residue 5
Atom CZ of residue 114
Atom CD2 of residue 3
Atom NE1 of residue 62
GLY
Atom CD2 of residue 62
Atom CB of residue 3
Atom CD1 of residue 62
Atom C of residue 4
UpdateRigidBodyMembers15
Atom CA of residue 4
P5
Atom CG of residue 62
Atom CB of residue 62
Atom CG of residue 103
Atom O of residue 62
Atom O of residue 1
Atom CB of residue 103
Atom C of residue 62
Atom CA of residue 62
Atom N of residue 62
SoftSpherePairScore 8
ASN
Atom C of residue 3
Atom NH1 of residue 61
Atom CZ of residue 61
Atom CE of residue 1
Atom CZ2 of residue 63
Atom CE1 of residue 15
UpdateRigidBodyMembers1
Atom CG of residue 61
Atom CB of residue 61
Atom O of residue 61
Atom C of residue 61
RigidCPF
ARG
Atom N of residue 61
Atom OG of residue 60
Atom N of residue 36
Atom CB of residue 60
PHE
Atom C of residue 60
TRP
Atom CA of residue 60
ModelScoringFunction3
Atom ND2 of residue 39
Atom CG1 of residue 2
P4
SER
Atom N of residue 60
Atom CB of residue 59
Atom CB of residue 5
Atom CA of residue 59
Atom CG of residue 5
Atom CD1 of residue 58
Atom CA of residue 127
UnaryFunction12
Atom CA of residue 5
Atom CG1 of residue 58
Atom N of residue 3
ModelScoringFunction6
Atom O of residue 109
Atom C of residue 57
Atom N of residue 109
Atom CD1 of residue 25
Atom CD2 of residue 56
P0
P251 rigid body positions
Atom CB of residue 2
Atom CZ of residue 5
Atom CD1 of residue 55
Atom NH2 of residue 5
Atom CD2 of residue 25
Atom CG of residue 56
VAL
Atom CB of residue 56
GLY
Atom CB of residue 5
Atom CB of residue 5
Atom C of residue 56
Atom O of residue 54
ALA
Atom CA of residue 54
Atom C of residue 5
P1
Atom N of residue 54
Atom CG of residue 34
LYS
LYS
Atom CE2 of residue 3
ASN
P177 RigidBodyHierarchy 1
Atom CD2 of residue 3
Atom CG of residue 53
Atom O of residue 4
Atom C of residue 29
Atom CE of residue 105
GLY
Atom O of residue 53
PHE
Atom CG of residue 105
Atom O of residue 3
Atom CA of residue 53
TYR
Atom OD2 of residue 52
Atom CB of residue 103
Atom O of residue 51
P253
ASN
Atom N of residue 51
Atom CB of residue 50
SER
Atom CG of residue 101
Chain A
Atom C of residue 49
AccumulateRigidBodyDerivatives42
P3
GLY
ASP
Atom C of residue 53
Atom C of residue 3
Atom OD1 of residue 48
Atom CA of residue 53
Atom CG of residue 48
Atom CB of residue 70
Atom CZ3 of residue 28
Atom CG of residue 1
Atom CD2 of residue 23
Atom O of residue 100
Atom C of residue 48
Atom CA of residue 48
Atom N of residue 2
Atom C of residue 95
P74 RigidBodyHierarchy 0
Atom N of residue 47
Atom CE2 of residue 3
AccumulateRigidBodyDerivatives16
Atom CE2 of residue 3
AccumulateRigidBodyDerivatives7
Atom CD of residue 97
Atom NE of residue 45
ILE
Atom C of residue 50
Atom CA of residue 5
Atom CB of residue 93
UpdateRigidBodyMembers8
Atom CD of residue 45
rigid bodies list
Atom O of residue 97
Atom CB of residue 45
Atom CA of residue 93
Atom C of residue 97
Atom O of residue 45
Atom CA of residue 5
Atom ND2 of residue 44
Atom CB of residue 66
P4
PHE
Atom C of residue 20
Atom CG of residue 3
Atom C of residue 3
Atom CG2 of residue 43
P253
Atom N of residue 1
Atom CB of residue 65
Atom N of residue 4
Atom CA of residue 18
Atom CB of residue 43
Atom SG of residue 64
Atom O of residue 3
DiameterRestraint center
Atom CB of residue 64
Atom C of residue 3
Atom O of residue 42
Atom CA of residue 42
Atom CA of residue 107
P14
Atom CA of residue 93
Atom CG1 of residue 2
Atom N of residue 17
Atom N of residue 3
Atom CG of residue 79
LYS
Atom CE2 of residue 53
Atom O of residue 2
Atom CA of residue 2
P14
P46
Atom C of residue 93
Atom CG2 of residue 2
Atom CB of residue 41
DiameterRestraint center
Frag4
UpdateRigidBodyMembers17
Atom CE of residue 1
Atom C of residue 116
Atom O of residue 27
Atom SG of residue 127
GLN
ConnectivityRestraint 5
Atom CE2 of residue 63
P251
Atom N of residue 41
Atom NZ of residue 13
Atom C of residue 40
P1 rigid body positions
simple_input.pdb
P1
UpdateRigidBodyMembers20
THR
Atom CB of residue 5
Atom ND2 of residue 39
Atom C of residue 4
Atom CD1 of residue 3
Atom CA of residue 87
Atom O of residue 3
Atom O of residue 39
Chain A
Atom C of residue 3
Atom N of residue 13
P1
Atom C of residue 39
PHE
Atom N of residue 13
SER
Atom CB of residue 2
Atom CB of residue 11
Atom CB of residue 38
Atom CG of residue 101
Atom C of residue 11
RestraintSet 7
Atom C of residue 38
Atom O of residue 27
Atom C of residue 1
PHE
Atom CB of residue 11
Atom O of residue 37
Atom CG of residue 59
Atom CA of residue 5
Atom OG of residue 36
GLY
Atom CA of residue 37
Atom CG1 of residue 2
Atom NE1 of residue 123
VAL
Atom N of residue 37
Atom N of residue 3
P1
ARG
Atom CB of residue 36
Atom CA of residue 5
Atom C of residue 2
Atom N of residue 2
Atom OE2 of residue 35
Atom OE1 of residue 35
Atom C of residue 2
Atom OE1 of residue 35
PairScore 7
Atom CG1 of residue 2
Atom CG of residue 35
Atom CG1 of residue 92
Atom CD1 of residue 3
Atom C of residue 66
Atom C of residue 35
P48
simple_input.pdb
Atom CA of residue 35
GLU
Atom CA of residue 3
Atom CA of residue 1
Atom CD1 of residue 38
Atom N of residue 35
Atom CE2 of residue 34
Atom CD1 of residue 34
Atom CA of residue 27
Atom CB of residue 37
PHE
Atom NZ of residue 1
VAL
Atom NZ of residue 33
simple_input.pdb
P4
Atom C of residue 2
Atom CG of residue 33
Atom CD of residue 1
Atom N of residue 33
Atom O of residue 32
Atom CZ of residue 5
Atom CB of residue 30
ARG
Atom C of residue 30
P10
Atom CA of residue 128
Atom CG2 of residue 29
Atom N of residue 4
Atom CG of residue 75
Atom CD1 of residue 53
Atom CG of residue 3
Atom CB of residue 29
Atom CB of residue 3
Atom O of residue 29
Atom CA of residue 29
Atom CD of residue 33
DistancePairScore 4
Atom CG1 of residue 2
VAL
Atom C of residue 78
Atom CE2 of residue 28
Atom CB of residue 99
Atom CG of residue 28
Atom NH1 of residue 114
Atom CA of residue 32
Atom NH1 of residue 73
Atom CB of residue 28
Atom CA of residue 5
Atom C of residue 99
Atom CZ of residue 5
Atom O of residue 28
TRP
Atom C of residue 1
Atom C of residue 77
Atom CG of residue 27
Atom CD of residue 1
Atom N of residue 2
Atom C of residue 27
Atom N of residue 27
Atom C of residue 20
VAL
Atom CG of residue 5
Atom CA of residue 26
Atom CD of residue 5
Atom CA of residue 2
Atom CB of residue 82
Atom NH1 of residue 5
Atom CE of residue 1
Atom O of residue 25
Atom C of residue 25
Atom N of residue 25
Atom O of residue 24
GridCPF
GLY
Atom C of residue 24
Atom CA of residue 24
Atom NH1 of residue 5
P0
Atom CB of residue 3
Atom CZ of residue 23
PairScore 6
Atom CB of residue 3
GLY
Atom CE1 of residue 23
UpdateRigidBodyMembers42
AccumulateRigidBodyDerivatives38
Atom OH of residue 23
Atom CG of residue 3
Atom CD1 of residue 23
VAL
Atom CB of residue 51
P355
simple_input.pdb
Atom CA of residue 23
Atom CB of residue 1
Atom CD of residue 35
GridCPF
LYS
Atom CG1 of residue 2
Atom O of residue 22
GLY
Atom CB of residue 2
DistancePairScore 0
Atom OG1 of residue 51
THR
Atom C of residue 22
ARG
Atom CB of residue 1
Atom NH2 of residue 21
simple_input.pdb
P4 RigidBodyHierarchy 2
Atom CZ of residue 21
Atom NE of residue 21
Atom CD of residue 21
Atom N of residue 2
KClosePairsPairScore 5
ARG
Atom CG of residue 66
Atom O of residue 20
Atom CA of residue 26
Atom CZ of residue 5
Atom CH2 of residue 108
Atom N of residue 1
Atom CD1 of residue 56
Atom CA of residue 20
P3
Atom O of residue 23
TYR
Atom ND2 of residue 19
Atom CB of residue 19
Atom O of residue 19
P5
Atom CZ2 of residue 108
Atom C of residue 23
ASN
Atom OD2 of residue 18
P1 RigidBodyHierarchy 6
Atom CE2 of residue 3
Atom N of residue 18
Atom C of residue 47
Atom CB of residue 2
Atom CA of residue 65
Atom CG of residue 1
Atom CD2 of residue 17
Atom N of residue 65
Atom C of residue 3
Atom CG of residue 17
ALA
Atom CG of residue 1
Atom O of residue 17
Atom CB of residue 1
Atom N of residue 31
Atom N of residue 1
Atom CG2 of residue 89
Atom C of residue 17
Atom SG of residue 76
Atom C of residue 2
Atom C of residue 54
Model 9
Atom SG of residue 30
Atom C of residue 64
Atom CA of residue 17
GLY
P15
Atom N of residue 16
ListSingletonContainer8
Atom NE2 of residue 15
Atom CE1 of residue 15
Atom CD2 of residue 15
P303
Atom ND1 of residue 15
Atom CA of residue 86
Atom CB of residue 9
Atom CA of residue 4
Atom NE of residue 5
Atom CG of residue 15
HIS
P33
Atom O of residue 80
Atom C of residue 121
Atom CZ of residue 14
Atom CG1 of residue 2
Atom NE2 of residue 57
Atom NE of residue 14
Atom N of residue 121
Chain A RigidBodyHierarchy 3
Atom CB of residue 14
ARG
SoftSpherePairScore 0
Atom CG of residue 5
Atom CD of residue 1
Atom CD1 of residue 20
ARG
P1 rigid body positions
Atom N of residue 14
MET
P51 RigidBodyHierarchy 6
Atom CG2 of residue 2
Atom CG of residue 52
Atom CE3 of residue 28
SampledDensityMap4
AccumulateRigidBodyDerivatives4
Atom CD of residue 13
Atom CD of residue 1
Atom CG of residue 13
CYS
Atom NE1 of residue 28
PHE
Atom CB of residue 13
Atom CB of residue 43
Atom CD of residue 1
Atom O of residue 13
Atom CA of residue 104
Atom CA of residue 52
Atom N of residue 3
Atom C of residue 13
Atom O of residue 4
NullModifier0
ARG
Atom CA of residue 13
VAL
Atom OG1 of residue 51
Atom CG1 of residue 2
Atom CE of residue 12
Atom NH2 of residue 5
UnaryFunction6
Atom CG2 of residue 98
Atom CA of residue 51
Atom O of residue 12
Atom C of residue 12
Atom CD1 of residue 3
Atom CA of residue 12
Atom OG of residue 50
Atom CD1 of residue 38
MET
Atom CG of residue 14
Atom O of residue 5
Atom CE of residue 97
Atom CA of residue 6
Atom OG of residue 24
VAL
Atom CE2 of residue 3
Atom CB of residue 101
Atom CA of residue 11
ALA
Atom N of residue 57
Atom N of residue 11
Atom O of residue 91
Chain A RigidBodyHierarchy 7
Atom N of residue 44
Atom CA of residue 5
Atom CB of residue 10
Atom O of residue 10
Atom C of residue 3
Atom CA of residue 92
Atom O of residue 66
Atom CD1 of residue 3
Atom CB of residue 44
Atom C of residue 10
Atom OD1 of residue 59
UnaryFunction3
Atom CA of residue 10
ALA
UpdateRigidBodyMembers30
Atom N of residue 5
Atom CD1 of residue 3
Atom CA of residue 4
Atom N of residue 10
Atom CB of residue 9
Atom O of residue 9
UpdateRigidBodyMembers41
Atom C of residue 36
Atom CD2 of residue 8
Atom CG of residue 8
Atom N of residue 1
Atom NE of residue 5
Atom CA of residue 123
Atom CB of residue 82
Atom CG of residue 5
GLY
Atom CG of residue 39
Atom CB of residue 2
SER
Atom O of residue 86
ALA
Atom O of residue 4
Atom N of residue 4
Atom CB of residue 8
Atom O of residue 8
Atom C of residue 8
Atom CA of residue 8
Atom CG1 of residue 2
Atom O of residue 49
Atom N of residue 8
Atom CD1 of residue 98
Atom N of residue 31
Atom C of residue 5
Atom OE1 of residue 7
AccumulateRigidBodyDerivatives36
Atom CG of residue 7
ALA
Atom O of residue 5
Atom CB of residue 7
Atom O of residue 7
Atom N of residue 3
Atom C of residue 33
Atom CA of residue 2
GLU
Atom CB of residue 6
Atom CG of residue 3
Atom CG1 of residue 55
Atom O of residue 3
Atom N of residue 6
Atom CZ of residue 3
Atom NH2 of residue 5
Atom N of residue 2
Atom CE2 of residue 3
LYS
PHE
Atom N of residue 108
Atom CA of residue 5
Atom CA of residue 55
Model 24
Atom CD1 of residue 34
Atom CD2 of residue 3
Atom C of residue 91
Model 4
Atom N of residue 19
Atom C of residue 4
Atom CA of residue 63
Atom CG of residue 1
Atom CD of residue 5
Atom CG of residue 25
Atom CG of residue 5
Chain A rigid body positions
Atom CB of residue 5
Atom CB of residue 5
Atom CZ2 of residue 28
Atom CE of residue 13
Chain A RigidBodyHierarchy 9
Atom CA of residue 78
Atom O of residue 5
P1
Atom O of residue 5
Atom CG2 of residue 2
Atom CH2 of residue 28
Atom C of residue 1
Atom N of residue 5
Atom CB of residue 112
Atom CG of residue 52
ASP
Atom N of residue 4
Atom OG of residue 72
Atom CA of residue 102
Atom C of residue 50
Atom CZ of residue 3
Atom O of residue 1
Atom CG of residue 70
Atom CB of residue 100
Atom O of residue 48
Atom NH1 of residue 5
Atom CZ of residue 5
Atom CD1 of residue 3
Atom CB of residue 72
Atom CG of residue 3
P252
Atom N of residue 53
Atom O of residue 3
ConnectivityRestraint 2
Atom CD of residue 1
LYS
Atom CA of residue 3
Atom CG2 of residue 99
Atom CB of residue 3
Atom CG2 of residue 2
Atom OD2 of residue 101
AccumulateRigidBodyDerivatives5
Atom O of residue 55
P175
Atom CB of residue 2
Atom N of residue 72
P10
Atom CD of residue 1
Atom CB of residue 46
FixedRefiner3
Atom CA of residue 90
Atom CE1 of residue 3
Atom CB of residue 1
Atom CA of residue 47
Atom CA of residue 1
Atom O of residue 28
Atom N of residue 2
Atom OE1 of residue 121
Atom NH1 of residue 21
Atom SG of residue 94
Atom CG1 of residue 98
Atom CB of residue 46
LYS
Atom OG of residue 50
Chain A
6lyz.pdb
Atom O of residue 1
PairScore 4
Atom NH2 of residue 45
Atom NZ of residue 1
ListSingletonContainer1
Atom N of residue 1
KClosePairsPairScore 9
Atom O of residue 115
Atom O of residue 74
Atom N of residue 52
THR
Atom CA of residue 86
Chain A
P0
LYS
P14 RigidBodyHierarchy 1
Atom O of residue 60
Atom CD of residue 1
P25
Atom O of residue 84
Atom N of residue 3
P8 RigidBodyHierarchy 1
SingletonModifier 1
P35
FixedRefiner1
Atom O of residue 1
simple_input.pdb
Atom C of residue 32
DiameterRestraint1
connectivity list
UnaryFunction4
Atom N of residue 3
Atom OG of residue 91
SoftSpherePairScore 3
ExcludedVolumeRestraint3
Atom CG of residue 61
AccumulateRigidBodyDerivatives19
Atom N of residue 5
UpdateRigidBodyMembers19
Atom CA of residue 101
AccumulateRigidBodyDerivatives18
Atom CZ of residue 45
Atom CA of residue 89
Atom CB of residue 2
Atom CA of residue 1
UpdateRigidBodyMembers18
Atom CE1 of residue 3
Atom C of residue 4
Atom C of residue 61
Atom CE2 of residue 3
Atom NE of residue 61
P4 rigid body positions
Atom C of residue 2
Atom CB of residue 80
Atom O of residue 121
Atom CA of residue 4
AccumulateRigidBodyDerivatives17
Atom NZ of residue 1
Atom CB of residue 97
Atom CG of residue 45
Atom CA of residue 1
Atom C of residue 14
P1 rigid body positions
ALA
Atom OE1 of residue 57
Atom CD of residue 14
ARG
CYS
ASN
NormalizeRotation3
UnaryFunction22
Atom CA of residue 2
simple_input.pdb
Atom C of residue 41
rigid bodies list
GLY
Fit restraint
Atom C of residue 2
P16
P15
Atom CA of residue 117
P13
Atom CB of residue 5
Atom O of residue 94
Atom NE of residue 68
Atom O of residue 98
GLY
Atom C of residue 46
Atom CZ of residue 5
LYS
Atom O of residue 1
Atom NH1 of residue 45
P11
Atom CA of residue 25
P8
Atom NE1 of residue 62
Atom C of residue 112
P6
Atom CD1 of residue 123
Atom CG of residue 112
Atom C of residue 1
Atom CG of residue 53
GLY
Atom C of residue 84
Atom NH1 of residue 112
Atom CG of residue 19
Atom N of residue 20
Atom C of residue 3
Atom O of residue 60
P2
P1
Model 3
P303 RigidBodyHierarchy 0
Chain A
Atom C of residue 2
Atom CG of residue 48
P51 RigidBodyHierarchy 2
Atom OD1 of residue 18
SingletonModifier 0
FixedRefiner0
Atom C of residue 2
Atom CA of residue 1
Atom CA of residue 68
DiameterRestraint center
Atom C of residue 3
Atom CA of residue 2
SingletonConstraint 0
Atom CB of residue 17
Atom CB of residue 66
Atom CB of residue 1
VAL
LYS
simple_input.pdb
RestraintSet 6
Atom C of residue 114
Atom C of residue 73
RestraintSet 5
Atom SG of residue 6
VAL
ListSingletonContainer3
Atom CE of residue 1
Atom O of residue 3
SoftSpherePairScore 2
ExcludedVolumeRestraint2
Atom O of residue 116
Atom C of residue 26
Chain A rigid body positions
Chain A rigid body positions
Chain A
Atom O of residue 125
UpdateRigidBodyMembers14
Atom NH2 of residue 5
Atom NH2 of residue 5
AccumulateRigidBodyDerivatives12
Atom CD of residue 1
Atom ND2 of residue 103
P51 rigid body positions
PHE
UnaryFunction9
AccumulateRigidBodyDerivatives11
P5
Atom NZ of residue 1
UpdateRigidBodyMembers11
Atom CA of residue 103
Atom C of residue 1
AccumulateRigidBodyDerivatives10
Atom C of residue 34
PHE
Atom CA of residue 28
UpdateRigidBodyMembers10
Atom CE2 of residue 20
Atom CD of residue 33
Atom NH1 of residue 5
NormalizeRotation2
Atom CA of residue 114
Atom O of residue 17
Atom CA of residue 1
rigid bodies list
Atom CA of residue 3
ASN
Atom O of residue 19
Atom NZ of residue 1
P355
Atom N of residue 94
VAL
Atom O of residue 93
Atom N of residue 3
Atom CG of residue 41
Atom C of residue 101
Atom NH2 of residue 5
Chain A RigidBodyHierarchy 5
Atom CZ of residue 5
Atom CG of residue 5
LYS
Atom ND2 of residue 74
Atom O of residue 105
Atom CB of residue 3
Atom C of residue 5
Atom O of residue 1
Atom C of residue 67
Atom OG of residue 86
ARG
Atom CG of residue 23
Atom CB of residue 86
Atom N of residue 5
SER
GLY
Atom CA of residue 22
GLY
Atom C of residue 85
Atom CD2 of residue 3
Atom CG2 of residue 2
GLY
Atom CD1 of residue 3
P27
Atom CG of residue 3
Atom O of residue 3
Atom CD of residue 1
Atom C of residue 1
Atom CB of residue 84
PHE
LeavesRefiner4
Atom CB of residue 21
Atom C of residue 84
Atom CG2 of residue 2
Atom O of residue 4
Atom CE1 of residue 34
P38
Atom CA of residue 84
Atom CG1 of residue 2
Fit restraint scratch map
Atom CZ of residue 3
Atom CB of residue 3
P17
Atom CA of residue 2
Atom CG of residue 83
VAL
Atom N of residue 2
P74 rigid body positions
Atom OG of residue 60
Atom CA of residue 5
Atom CA of residue 83
Atom CG of residue 1
Atom CD of residue 1
Atom N of residue 4
Atom CD of residue 5
LYS
Atom CE2 of residue 3
Atom CE2 of residue 3
Chain A
Atom CB of residue 23
Atom CB of residue 64
P303
Atom NH1 of residue 5
Atom C of residue 28
Atom NE of residue 5
ListSingletonContainer4
Atom CG of residue 5
VAL
Atom CB of residue 5
Atom CG2 of residue 2
Atom CA of residue 5
P8 RigidBodyHierarchy 0
ARG
Atom N of residue 5
Atom N of residue 8
Atom C of residue 4
input.pdb rigid body positions
Atom C of residue 72
GLY
Atom CZ of residue 3
Atom CE1 of residue 3
Atom N of residue 1
Atom CD1 of residue 3
P7
Atom CG of residue 3
LYS
GLY
Atom CB of residue 3
Atom C of residue 3
PHE
Atom CG2 of residue 2
Atom CG1 of residue 2
Atom CA of residue 4
Atom CB of residue 2
Atom O of residue 2
Atom CE of residue 1
LEU
Atom N of residue 3
Atom CD1 of residue 63
Atom CG of residue 1
Atom C of residue 70
Atom CB of residue 5
Atom SD of residue 12
simple_input.pdb
Atom N of residue 4
Atom N of residue 1
Atom CG1 of residue 2
Atom C of residue 31
P252
Atom O of residue 9
Atom NH2 of residue 5
ARG
Atom N of residue 5
VAL
Atom N of residue 69
Atom CD1 of residue 98
Atom C of residue 51
Atom OD1 of residue 46
Atom N of residue 51
LYS
Atom CA of residue 1
P1135
Atom N of residue 98
Atom CB of residue 1
Atom CB of residue 94
Atom CG of residue 5
RigidCPF
Atom N of residue 1
ConnectivityRestraint 3
Atom N of residue 96
Atom CB of residue 122
Atom CB of residue 69
Atom O of residue 99
Atom C of residue 47
Atom CD of residue 121
Atom CZ of residue 68
PHE
VAL
ARG
Atom CB of residue 92
Atom OD1 of residue 66
Atom CG of residue 23
Atom O of residue 5
Atom CA of residue 3
Atom C of residue 3
Atom OD2 of residue 119
Atom CA of residue 109
Atom N of residue 48
VAL
AccumulateRigidBodyDerivatives39
LYS
Atom O of residue 21
ARG
Atom N of residue 24
Atom NH2 of residue 5
Atom CD2 of residue 3
Atom CE of residue 1
Atom NH1 of residue 5
Atom N of residue 4
Atom CA of residue 21
Atom CG1 of residue 109
Atom CB of residue 57
Atom CA of residue 3
Atom O of residue 2
Atom C of residue 49
Atom CA of residue 4
Atom N of residue 93
Atom CE1 of residue 23
Atom CD of residue 5
PHE
Atom CG1 of residue 2
Atom C of residue 2
Atom CB of residue 109
Atom O of residue 57
Atom CZ of residue 3
Atom O of residue 92
Atom OD1 of residue 44
Atom CD of residue 1
simple_input.pdb
Atom CB of residue 23
Atom C of residue 5
Atom N of residue 70
Atom C of residue 2
ARG
Atom C of residue 67
Atom NH2 of residue 5
Atom CB of residue 1
Atom N of residue 5
Atom O of residue 1
Atom O of residue 4
P9
Atom NZ of residue 1
Atom C of residue 108
Atom NE of residue 5
ASP
Atom C of residue 4
PHE
Atom CG of residue 3
Atom O of residue 2
ALA
Atom CA of residue 1
Atom N of residue 1
simple_input.pdb
GLY
Atom CE1 of residue 3
Atom CZ of residue 3
Atom N of residue 91
Atom NH2 of residue 68
Chain A RigidBodyHierarchy 12
Atom CE1 of residue 3
Atom OD1 of residue 46
Atom O of residue 90
Atom CB of residue 3
Atom CD1 of residue 3
Atom CG of residue 3
Atom C of residue 1
Atom CA of residue 3
Atom O of residue 1
Atom CE2 of residue 3
Atom CB of residue 89
Atom N of residue 3
Atom NH2 of residue 45
Atom O of residue 89
CYS
Atom CG2 of residue 2
Atom O of residue 5
Atom CG1 of residue 2
Atom C of residue 2
P124
Atom O of residue 66
Atom O of residue 5
FixedRefiner5
P24
Atom CB of residue 127
VAL
UpdateRigidBodyMembers7
Atom NZ of residue 1
Atom N of residue 67
Atom N of residue 2
GLN
P303
Atom C of residue 119
Atom CG of residue 20
LYS
UnaryFunction13
LYS
TRP
Atom C of residue 55
Atom N of residue 1
Atom CA of residue 75
Atom SD of residue 105
Atom C of residue 53
Atom CE1 of residue 3
LEU
PHE
Atom C of residue 1
Atom CB of residue 124
Atom O of residue 2
Chain A
Atom O of residue 14
ARG
Atom CB of residue 113
Atom CD2 of residue 3
RigidCPF
Atom CB of residue 101
P177
Atom N of residue 55
Atom CD of residue 1
Atom N of residue 5
ARG
Atom OD1 of residue 59
Atom NH2 of residue 5
Atom C of residue 1
Chain A RigidBodyHierarchy 2
Atom N of residue 7
Atom CG1 of residue 99
Atom CA of residue 52
Atom CB of residue 47
Atom CE of residue 1
simple_input.pdb
Fit restraint scratch map
Atom CZ2 of residue 111
VAL
Atom C of residue 2
Atom CA of residue 43
Atom NH2 of residue 128
ASN
Atom OG1 of residue 89
PHE
Atom CD2 of residue 3
Atom CA of residue 4
ILE
Atom CD2 of residue 3
Atom CA of residue 3
Atom CG of residue 3
Atom N of residue 5
P1
ExcludedVolumeRestraint0
Atom N of residue 46
normalize rigid bodies
Atom C of residue 3
PHE
VAL
Atom C of residue 2
ARG
Atom N of residue 9
Atom ND2 of residue 59
Atom CB of residue 5
Atom CD1 of residue 3
simple_input.pdb
Atom CB of residue 96
Atom CB of residue 2
Atom C of residue 96
Atom N of residue 70
Atom N of residue 52
Atom C of residue 2
Atom O of residue 1
Atom CB of residue 18
Atom CA of residue 96
Atom C of residue 99
Atom CA of residue 2
Atom N of residue 21
Atom OG1 of residue 118
PRO
Atom NH1 of residue 5
Atom CB of residue 1
Atom OH of residue 20
THR
Atom N of residue 5
Atom CA of residue 3
Atom CE of residue 1
PHE
Atom O of residue 1
Atom CB of residue 3
Chain A
Atom NH2 of residue 5
Atom O of residue 5
UpdateRigidBodyMembers6
P125
Atom CE3 of residue 108
Atom O of residue 119
Atom N of residue 19
Atom CD1 of residue 129
Atom C of residue 5
Atom CZ of residue 5
Atom NE of residue 5
Atom N of residue 1
ExcludedVolumeRestraint1
Atom O of residue 96
P0
Atom CZ of residue 5
Atom CG2 of residue 47
Atom O of residue 2
Atom O of residue 5
Atom C of residue 2
Atom O of residue 5
Atom CG of residue 5
Atom O of residue 56
Atom NH1 of residue 5
Atom CB of residue 1
Atom C of residue 5
Atom N of residue 124
RestraintSet 21
Atom CE2 of residue 3
Atom N of residue 101
Atom O of residue 4
Atom NH2 of residue 5
LYS
Atom C of residue 4
P74 RigidBodyHierarchy 5
Atom N of residue 4
Atom CD of residue 1
Atom CA of residue 5
Atom N of residue 22
Atom CD2 of residue 3
Atom CB of residue 15
Atom CA of residue 4
Atom CB of residue 98
Atom O of residue 46
Atom CD2 of residue 34
Atom N of residue 1
Atom N of residue 4
P1
P0
Atom CE2 of residue 3
P51 rigid body positions
Atom OH of residue 53
P125
Atom CE1 of residue 3
Atom NH1 of residue 5
Atom N of residue 30
Atom CB of residue 2
Atom O of residue 2
Atom CD2 of residue 3
Atom CG of residue 38
Atom CA of residue 2
Atom N of residue 3
Atom CB of residue 5
Atom CZ of residue 3
P354
P12
Atom CA of residue 1
Atom NZ of residue 1
Atom CE of residue 1
Atom N of residue 1
Atom CG of residue 1
Atom O of residue 62
Atom C of residue 5
VAL
Atom CA of residue 1
Atom O of residue 1
Atom CB of residue 1
Atom C of residue 10
Atom SG of residue 115
Atom CG of residue 74
ARG
Atom OD1 of residue 52
Chain A RigidBodyHierarchy 4
Atom N of residue 4
Atom C of residue 5
Atom CD of residue 61
Atom CG of residue 3
LYS
Atom CA of residue 4
Atom CD2 of residue 28
Atom CA of residue 3
Atom C of residue 3
GLY
Atom CA of residue 39
P0
simple_input.pdb
ALA
Atom CB of residue 83
Atom N of residue 40
Atom OD1 of residue 19
Atom CA of residue 5
Atom CZ of residue 114
Atom CZ of residue 73
Chain A
Atom O of residue 4
Atom OD1 of residue 19
Atom CD of residue 112
Atom CA of residue 1
Atom CA of residue 5
P251
P17
DistancePairScore 3
Atom CG of residue 105
Atom CD of residue 5
Atom C of residue 5
Atom CG of residue 3
Atom CD2 of residue 123
Atom C of residue 1
PairScore 1
Atom N of residue 2
Atom CG of residue 63
Atom CB of residue 1
Atom CB of residue 3
Atom CB of residue 39
Atom CZ of residue 3
Atom CD1 of residue 3
TRP
Atom NH1 of residue 61
Atom O of residue 58
Atom CA of residue 3
Atom N of residue 50
Atom N of residue 3
Atom C of residue 5
Atom CZ of residue 5
Atom CE2 of residue 3
Atom CA of residue 5
Atom O of residue 2
Atom CA of residue 77
Atom NE of residue 5
Atom C of residue 71
Chain A
ARG
Atom C of residue 118
Atom CA of residue 5
P40
Atom N of residue 2
Atom CE1 of residue 20
Atom CG of residue 1
LEU
ARG
Atom CA of residue 5
Atom O of residue 1
Atom CA of residue 1
Atom N of residue 3
Atom O of residue 1
Atom N of residue 53
Atom C of residue 1
Atom CB of residue 5
Atom C of residue 1
Atom O of residue 4
P1136
Atom O of residue 1
P32
Atom CG of residue 45
Atom CA of residue 3
Atom CA of residue 2
Atom N of residue 1
Model 2
Atom NZ of residue 1
UnaryFunction8
Atom O of residue 106
AccumulateRigidBodyDerivatives14
RestraintSet 3
Atom CB of residue 129
Atom CG of residue 68
P354
P1 RigidBodyHierarchy 4
Atom OE2 of residue 7
Atom O of residue 4
Atom CB of residue 53
Atom NZ of residue 1
UnaryFunction1
connectivity list
Atom CZ of residue 3
Atom CB of residue 5
Atom O of residue 11
Atom O of residue 38
Atom CZ3 of residue 111
connectivity list
GridCPF
Atom C of residue 1
Atom CB of residue 12
Atom N of residue 105
Atom CG1 of residue 2
Atom CB of residue 52
Atom C of residue 6
Atom CB of residue 25
Atom NZ of residue 1
UnaryFunction2
Atom N of residue 45
Atom NZ of residue 1
Chain A
Atom C of residue 45
Atom C of residue 5
LeavesRefiner2
Atom O of residue 4
P49
Atom CA of residue 5
Atom O of residue 35
Atom O of residue 3
simple_input.pdb
P10
AccumulateRigidBodyDerivatives9
Atom CA of residue 51
Atom CG of residue 46
Atom CG of residue 1
Atom NH1 of residue 14
P8 rigid body positions
LYS
Atom CA of residue 97
AccumulateRigidBodyDerivatives8
Atom N of residue 2
Atom CA of residue 4
Atom CG of residue 1
LYS
Atom OD1 of residue 52
AccumulateRigidBodyDerivatives6
Atom C of residue 88
Atom N of residue 92
NullModifier1
NormalizeRotation1
Atom CD2 of residue 3
Chain A rigid body positions
Atom O of residue 4
P12
Atom NE of residue 5
Atom O of residue 87
P19
Atom NH1 of residue 5
Atom CG2 of residue 89
Atom CA of residue 125
Atom N of residue 12
Atom CB of residue 37
Atom CA of residue 5
Atom C of residue 87
P13
Atom O of residue 128
P12
Atom CG of residue 121
Atom N of residue 3
Atom CD1 of residue 8
Atom N of residue 9
Atom O of residue 4
Atom CA of residue 4
SoftSpherePairScore 1
P9
VAL
Atom C of residue 58
P8
Chain A rigid body positions
Atom CB of residue 5
Atom CA of residue 5
RestraintSet 8
UpdateRigidBodyMembers13
Atom CA of residue 4
LEU
P7
Atom C of residue 8
Atom SG of residue 80
Atom CB of residue 121
P2
Atom CB of residue 115
Model 1
Atom N of residue 74
Atom CD1 of residue 28
Atom CA of residue 5
P1 RigidBodyHierarchy 1
ARG
Atom CE of residue 105
Atom CA of residue 111
Atom NH2 of residue 61
Atom CE of residue 1
Atom CB of residue 3
Atom CA of residue 46
Chain A RigidBodyHierarchy 1
Atom N of residue 123
Atom OG1 of residue 69
Atom CB of residue 99
Atom O of residue 47
Atom N of residue 4
Atom O of residue 5
Atom C of residue 5
Chain A RigidBodyHierarchy 14
Atom CE3 of residue 111
P9
Atom C of residue 4
Atom C of residue 1
PHE
Atom O of residue 6
RestraintSet 2
Atom O of residue 65
Atom O of residue 43
Atom CD1 of residue 3
Atom C of residue 79
RestraintSet 1
Atom CA of residue 115
Atom CA of residue 74
Atom C of residue 104
Atom C of residue 52
LEU
P176
GridCPF
P124
ASP
LeavesRefiner0
GLY
Atom O of residue 4
Atom CD of residue 1
Atom CZ of residue 3
Atom N of residue 4
Atom CG of residue 15
simple_input.pdb
ListSingletonContainer0
The rigid members refiner
UpdateRigidBodyMembers5
Atom NH1 of residue 5
Atom CE2 of residue 108
Atom CG1 of residue 2
AccumulateRigidBodyDerivatives3
Atom C of residue 29
Atom NH2 of residue 112
Atom OD2 of residue 48
Atom CB of residue 1
Atom CG2 of residue 99
Atom NE of residue 5
Atom OG of residue 100
rigid bodies list
Atom CB of residue 48
UnaryFunction0
Atom CB of residue 2
UpdateRigidBodyMembers2
Atom CG of residue 123
P177
P1 rigid body positions
VAL
Atom CA of residue 15
Atom CE1 of residue 3
ALA
TupleRestraint 8
P251
Atom CB of residue 119
NormalizeRotation0
Model 8
ConjugateGradients
Atom CG2 of residue 2
Atom CE2 of residue 3
Atom CD1 of residue 3
Atom N of residue 2
P354
UpdateRigidBodyMembers25
Atom NH1 of residue 5
P4
Atom N of residue 2
Atom CD of residue 5
Atom CD2 of residue 3
ALA
Atom C of residue 1
Atom C of residue 123
Atom CD of residue 5
Atom C of residue 101
RestraintSet 4
Atom N of residue 49
Atom O of residue 59
Atom CB of residue 5
Atom CG of residue 5
Atom NZ of residue 1
P16
Atom CA of residue 81
Atom CA of residue 3
TRP
Atom CD2 of residue 28
Atom CG2 of residue 69
Atom CA of residue 2
Atom NE of residue 5
Atom O of residue 4
RigidCPF
Atom CE2 of residue 3
Atom CA of residue 118
Atom O of residue 3
P0
Atom CD of residue 5
UnaryFunction19
Atom O of residue 23
Atom C of residue 86
ARG
Atom C of residue 4
Atom C of residue 4
Atom C of residue 2
Atom CA of residue 3
Atom OG1 of residue 47
Atom C of residue 23
ExcludedVolumeRestraint5
Atom CG2 of residue 58
PHE
Atom CB of residue 58
Atom N of residue 4
Atom NH1 of residue 5
Atom N of residue 94
PHE
Atom CG of residue 3
Atom C of residue 3
Atom CB of residue 110
Atom CA of residue 58
Atom CE1 of residue 3
Atom CA of residue 2
Atom CD2 of residue 3
Atom C of residue 2
ALA
THR
Atom C of residue 93
SER
Atom CZ of residue 20
Atom C of residue 3
Atom CA of residue 3
Atom CB of residue 3
Atom CB of residue 31
SoftSpherePairScore 6
Atom CE of residue 97
Atom CZ of residue 45
Atom CB of residue 33
Atom CG of residue 119
Atom CA of residue 2
ASP
Atom CD of residue 1
Atom NH2 of residue 5
Atom OD2 of residue 66
Atom C of residue 3
Atom CB of residue 5
Atom CB of residue 3
Atom N of residue 3
Atom C of residue 1
P124
Atom CG of residue 1
Atom CA of residue 1
GLY
Atom CA of residue 58
GLY
Chain A
simple_input.pdb
Atom NH2 of residue 5
P74 RigidBodyHierarchy 2
Atom CB of residue 55
P304
Atom CG of residue 119
Atom N of residue 109
LYS
Atom C of residue 1
UpdateRigidBodyMembers3
Atom CZ of residue 34
Atom CG of residue 21
Atom CD of residue 5
Atom CG of residue 5
Atom NZ of residue 96
RestraintSet 17
Atom O of residue 5
LYS
Atom OE2 of residue 7
Atom CG of residue 3
Atom NH2 of residue 5
Atom C of residue 5
normalize rigid bodies
Atom CA of residue 5
ARG
Atom O of residue 53
Atom CE of residue 1
PHE
Atom N of residue 5
ILE
P304
Atom CE2 of residue 3
UpdateRigidBodyMembers43
RestraintSet 0
Atom CA of residue 4
Atom CB of residue 112
Atom CA of residue 19
Atom CD2 of residue 3
Atom CB of residue 3
Atom CB of residue 3
Atom CG of residue 113
Atom O of residue 16
Atom N of residue 102
Atom CA of residue 5
Atom CG of residue 3
ARG
Atom N of residue 56
Atom CA of residue 2
Atom NE1 of residue 123
ConnectivityRestraint 0
Atom CD of residue 70
Atom CA of residue 2
Atom CA of residue 3
P28
Atom N of residue 16
Atom CB of residue 3
Atom O of residue 61
Atom N of residue 59
Atom O of residue 4
P253
Atom CD2 of residue 3
ARG
Atom O of residue 90
Atom CA of residue 1
Atom C of residue 5
Atom N of residue 3
UpdateRigidBodyMembers0
Atom C of residue 21
Atom N of residue 3
Atom O of residue 35
PHE
P74
Atom CB of residue 3
P13
Atom CA of residue 98
Atom CE1 of residue 3
ARG
PHE
Atom C of residue 30
Atom OD1 of residue 113
Atom N of residue 4
SER
Atom C of residue 5
Atom CB of residue 128
CYS
Atom NE2 of residue 57
Atom CZ of residue 53
CYS
Atom CZ3 of residue 63
Atom CA of residue 16
Atom CB of residue 1
ARG
LYS
Atom CG of residue 37
TRP
P251
Atom CD of residue 1
Atom O of residue 5
Atom N of residue 5
Atom CB of residue 68
Atom N of residue 1
Atom CA of residue 7
Atom CA of residue 1
Atom N of residue 3
Atom CZ of residue 3
Atom C of residue 1
Atom C of residue 5
Atom CA of residue 1
Atom CB of residue 32
Atom CA of residue 115
Atom O of residue 64
Atom NH2 of residue 5
Atom NH2 of residue 5
Atom C of residue 42
Atom N of residue 2
ASP
LYS
Atom N of residue 22
Atom C of residue 4
Atom CA of residue 49
P11
Model 15
Atom CA of residue 91
Atom O of residue 2
Atom CB of residue 3
Atom C of residue 44
Atom O of residue 1
Atom CA of residue 38
Atom CZ of residue 5
Atom CA of residue 1
Atom N of residue 4
Atom CE1 of residue 3
P14 rigid body positions
Atom N of residue 5
Atom CD1 of residue 3
Atom CG of residue 5
Atom N of residue 6
P14 rigid body positions
Atom CA of residue 4
Atom CB of residue 2
PHE
Atom CA of residue 121
Atom CB of residue 1
Atom N of residue 91
Atom CB of residue 5
GLY
GLY
Atom CB of residue 90
Atom O of residue 5
VAL
Atom CB of residue 73
Atom CD1 of residue 111
Atom C of residue 2
Atom ND2 of residue 106
Atom N of residue 1
Atom O of residue 2
Atom CA of residue 41
Atom CB of residue 5
Atom N of residue 29
Atom CB of residue 78
Atom CD of residue 5
P4 rigid body positions
Atom N of residue 5
Atom O of residue 15
Atom N of residue 5
Atom O of residue 129
Atom CG of residue 5
Atom CG of residue 114
Atom CG of residue 73
Atom O of residue 103
Atom C of residue 51
Atom O of residue 3
Atom CD2 of residue 3
Atom CA of residue 3
P177
Atom N of residue 1
GLY
Atom CA of residue 111
Atom O of residue 71
P175
Atom NH2 of residue 14
Atom CA of residue 91
Atom CE1 of residue 3
Atom CA of residue 126
Atom N of residue 40
Atom CZ of residue 5
AccumulateRigidBodyDerivatives1
simple_input.pdb
Atom CG of residue 1
Atom C of residue 4
Atom NE of residue 5
LYS
Atom O of residue 69
AccumulateRigidBodyDerivatives15
Atom CE1 of residue 3
ASN
Atom CG2 of residue 51
P175
TYR
Atom N of residue 86
Atom N of residue 4
Atom O of residue 83
ASN
Atom NE of residue 5
simple_input.pdb
UnaryFunction20
Atom C of residue 82
Atom CZ of residue 3
Atom O of residue 34
Atom CG of residue 5
Atom CB of residue 3
Atom C of residue 34
Atom O of residue 3
Atom C of residue 3
Atom C of residue 102
Atom N of residue 76
P0
Atom CG of residue 125
Atom CG of residue 3
Atom C of residue 90
ASN
Atom CZ of residue 5
Atom NE of residue 114
Atom N of residue 3
Atom O of residue 3
Atom CB of residue 33
Atom CG2 of residue 2
ASN
Atom CB of residue 29
ASN
Atom O of residue 5
Atom C of residue 5
Atom C of residue 4
Atom CA of residue 38
Chain A
GLN
Atom CG of residue 3
Atom C of residue 125
Atom N of residue 89
P1
Atom C of residue 120
Atom CB of residue 5
Atom CA of residue 96
Chain A
Atom C of residue 78
P355
Atom CG of residue 68
Atom O of residue 2
LYS
Atom O of residue 104
Atom O of residue 52
Atom CG2 of residue 2
Atom CA of residue 2
Atom CG of residue 75
Atom C of residue 7
PHE
simple_input.pdb
Atom CG2 of residue 51
Atom CE3 of residue 123
Atom CA of residue 29
Atom CA of residue 1
GLY
Atom CA of residue 1
Atom O of residue 40
Atom CG of residue 12
UpdateRigidBodyMembers12
Atom CZ of residue 3
Atom CA of residue 71
Atom C of residue 68
Chain A
Atom NH1 of residue 112
P51 RigidBodyHierarchy 1
NullModifier5
Atom N of residue 1
Atom C of residue 3
Atom CG1 of residue 120
Atom O of residue 67
Atom CB of residue 2
Atom CA of residue 102
Atom CE1 of residue 53
Atom N of residue 24
Atom CG of residue 1
AccumulateRigidBodyDerivatives30
P2
Atom CG2 of residue 55
Atom C of residue 16
Atom C of residue 46
simple_input.pdb
Atom CB of residue 5
Atom O of residue 16
Atom N of residue 106
Atom CG of residue 1
Atom CB of residue 53
Atom CD1 of residue 3
Atom CD1 of residue 20
Atom O of residue 3
Atom CG of residue 5
Atom CB of residue 89
Atom CA of residue 3
Atom CA of residue 3
Atom CA of residue 17
Atom C of residue 2
SoftSpherePairScore 5
ARG
Atom CD1 of residue 3
P4 RigidBodyHierarchy 1
P177
P31
Atom N of residue 4
Atom CD of residue 128
Atom C of residue 1
VAL
Atom CA of residue 78
Atom C of residue 5
Atom CZ of residue 3
P12
Atom O of residue 5
DistancePairScore 5
Atom CA of residue 4
Atom NE1 of residue 108
Atom CE2 of residue 3
Atom CA of residue 4
Atom CA of residue 27
Atom NZ of residue 1
ASP
Atom CD1 of residue 3
Atom O of residue 2
LYS
Atom O of residue 18
simple_input.pdb
Atom N of residue 26
Atom N of residue 71
NullModifier4
Atom N of residue 78
NullModifier3
Atom CD of residue 5
Atom CD1 of residue 3
P41
Atom N of residue 45
Atom CA of residue 88
Atom C of residue 5
Atom CB of residue 24
Atom C of residue 1
Atom N of residue 4
Atom O of residue 31
ASN
Atom N of residue 4
Atom N of residue 106
Atom CA of residue 4
Atom CB of residue 2
Atom CB of residue 118
Atom NH1 of residue 5
P0
PairScore 0
Atom CB of residue 5
rigid bodies list
GLY
Atom CA of residue 1
UpdateRigidBodyMembers36
P74 RigidBodyHierarchy 1
Atom CZ of residue 5
Atom CB of residue 2
Atom CB of residue 2
Atom C of residue 2
Atom C of residue 98
P1 RigidBodyHierarchy 2
P304
Atom CA of residue 30
Atom CA of residue 2
P3
Atom C of residue 3
Atom CA of residue 2
Atom O of residue 3
Atom CA of residue 5
Atom N of residue 1
Atom O of residue 4
Atom O of residue 5
Atom O of residue 107
Atom NZ of residue 97
VAL
P1 RigidBodyHierarchy 0
Atom O of residue 4
Chain A
Atom O of residue 1
Atom CB of residue 105
Atom CB of residue 5
Frag2
connectivity list
Atom CE3 of residue 63
DiameterRestraint0
Atom NE of residue 5
Model 7
Atom O of residue 105
Atom O of residue 2
Atom CD of residue 1
Atom C of residue 4
ListSingletonContainer2
LeavesRefiner3
Atom CE of residue 1
Atom O of residue 86
PHE
Atom CG of residue 1
Atom CG of residue 18
Atom N of residue 1
Atom C of residue 2
Atom CG of residue 5
Atom NZ of residue 1
Atom NH2 of residue 5
Atom CA of residue 76
Atom CZ of residue 3
Atom CB of residue 5
LEU
Atom N of residue 5
simple_input.pdb
P51
simple_input.pdb
Atom CD2 of residue 53
Atom CG1 of residue 29
Atom CA of residue 4
Atom CB of residue 75
Atom CB of residue 5
Atom CA of residue 95
Atom NH2 of residue 5
LeavesRefiner1
Atom CG1 of residue 78
Atom NE of residue 5
VAL
Atom N of residue 57
Atom CA of residue 70
P125
Atom CE2 of residue 3
Chain A RigidBodyHierarchy 13
Atom CB of residue 20
Atom CB of residue 108
LYS
Atom N of residue 60
P124
Atom CG of residue 57
Atom CB of residue 2
Atom N of residue 5
Atom C of residue 2
Atom N of residue 4
Atom O of residue 55
Atom CB of residue 3
Atom NZ of residue 1
THR
Atom CE1 of residue 3
Atom C of residue 19
Atom NH1 of residue 5
Atom CB of residue 2
GLY
Atom O of residue 2
Atom CE of residue 1
Atom O of residue 3
Atom CG1 of residue 109
Atom CB of residue 2
Atom CZ3 of residue 28
VAL
Atom C of residue 106
VAL
Atom NZ of residue 1
Atom CZ of residue 3
Atom CG of residue 1
Atom CD of residue 79
simple_input.pdb
Atom O of residue 25
VAL
Atom O of residue 44
Atom CB of residue 1
Atom O of residue 111
Atom C of residue 15
SingletonConstraint 4
VAL
LYS
Atom CA of residue 23
Atom CG2 of residue 2
P37
Atom O of residue 92
Atom OG1 of residue 40
Atom CB of residue 2
Atom CB of residue 3
Atom O of residue 2
Atom C of residue 35
Atom CA of residue 32
GLU
Atom CA of residue 31
Atom N of residue 4
Atom O of residue 50
Atom CA of residue 120
Atom CA of residue 68
simple_input.pdb
Atom CE of residue 116
Atom CB of residue 105
Atom C of residue 3
Atom CZ of residue 3
CYS
Atom O of residue 5
Atom CE1 of residue 38
Atom CE2 of residue 3
Atom O of residue 36
Atom N of residue 2
GLY
P23
Atom NE2 of residue 41
P2
Atom O of residue 100
Atom N of residue 1
Atom NE of residue 5
Atom ND2 of residue 27
Atom CD of residue 7
Atom N of residue 4
Atom OG of residue 81
Atom N of residue 1
Atom CB of residue 34
Atom CG of residue 3
normalize rigid bodies
Atom CG of residue 103
Atom CB of residue 51
Atom CG1 of residue 2
Atom O of residue 1
Atom CA of residue 3
CYS
Atom CG of residue 5
simple_input.pdb
SER
Atom CD2 of residue 3
Atom CG of residue 46
Atom NZ of residue 1
Atom CG2 of residue 2
Atom CA of residue 57
Atom CB of residue 1
Atom CA of residue 5
Atom CA of residue 119
Atom C of residue 65
Atom C of residue 43
Atom CB of residue 85
Atom O of residue 5
Atom CB of residue 5
Atom CA of residue 82
Atom C of residue 5
GLY
ASP
Atom CB of residue 95
P74
UpdateRigidBodyMembers4
Model 21
Atom C of residue 115
simple_input.pdb
Atom N of residue 5
Atom CD1 of residue 3
Atom C of residue 9
P176
Atom CB of residue 107
Atom CB of residue 93
PHE
Atom N of residue 34
Atom CB of residue 35
Atom O of residue 85
Atom CE1 of residue 3
VAL
P46
ASN
Atom CE1 of residue 3
P0
Atom CD1 of residue 3
LYS
Atom CB of residue 92
VAL
Atom N of residue 3
Atom N of residue 2
P3
Atom CA of residue 40
ConnectivityRestraint 1
Atom N of residue 5
UnaryFunction10
Atom O of residue 50
ASN
SER
Atom CG of residue 35
Atom CB of residue 1
Atom O of residue 5
Atom N of residue 123
Atom CG1 of residue 2
Atom CD of residue 5
Atom CE2 of residue 123
P0
Atom N of residue 28
Atom N of residue 20
Atom CD1 of residue 17
Chain A
Atom N of residue 5
Atom CA of residue 105
P253 RigidBodyHierarchy 0
Atom N of residue 5
Atom CA of residue 56
Atom CE of residue 1
Atom N of residue 3
Atom CG of residue 65
Atom OG1 of residue 43
Atom OE1 of residue 57
ARG
Atom N of residue 90
PHE
RestraintSet 24
Atom CD of residue 5
P51 RigidBodyHierarchy 0
ARG
Atom CB of residue 1
Atom N of residue 1
Atom O of residue 3
Atom O of residue 3
GLY
Atom CE2 of residue 3
Atom C of residue 7
TRP
Chain A
ALA
Atom CA of residue 13
VAL
Atom CD of residue 5
Atom NH1 of residue 128
Atom C of residue 4
Atom C of residue 76
Atom NE2 of residue 41
Model 0
ARG
P252
LEU
Atom CE2 of residue 108
Atom CE of residue 1
ASN
Atom NE of residue 5
LYS
PHE
Atom OD1 of residue 37
Atom C of residue 89
Atom N of residue 1
Atom NE of residue 61
Atom CE of residue 1
ILE
Atom CA of residue 92
Atom CE of residue 1
Atom O of residue 1
Atom CG1 of residue 2
Atom C of residue 1
Atom CA of residue 50
Atom O of residue 83
Atom CB of residue 45
Atom C of residue 3
GLY
P5
Atom CD of residue 1
SER
P51
Atom NZ of residue 97
restrainer module unit tests succeeded
modules/multifit/src/symmetry_utils.cpp:344: warning: unused parameter 'dn_symm_deg'
modules/multifit/src/symmetry_utils.cpp:344: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:439: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:524: warning: unused parameter 'dn'
modules/multifit/src/CnSymmAxisDetector.cpp:164: warning: unused parameter 'symm_vec'
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/multifit/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/examples/patchdock_multifit.py >/private/tmp/nightly-build-90354/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 0.471s

OK
multifit examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/multifit/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.multifit --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_add_surface_index.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_anchor_graph.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_connected_components.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_geometric_hash.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_mol_coarsening.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_radius_of_gyration_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_read_anchors_data.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_read_fitting_solutions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_read_settings.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_settings_data.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_surface_sample_protein.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint_3.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/multifit_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_multifit_standards.py >/private/tmp/nightly-build-90354/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 ... ok
test_neighbors (_test_4.GeometricHashTest) ... ok
test_coarsening (_test_5.MolCoarseningTests) ... in 19.732s ... ok
test_density_coarsening (_test_5.MolCoarseningTests) ... in 17.723s ... 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 11.076s ... ok
Check that weighted excluded volume restraint 3 works ... FAIL
in 2.016s ... Running C++ test multifittest_geometric_complementarity ... in 7.330s ... ok
Running C++ test multifittest_get_candidate_transformations_match_1st_surface_to_2nd ... in 25.861s ... 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 2287, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 1050, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 1050, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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: 10.319910118391132 != 0

======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_multifit_standards.py", line 17, in test_classes
    spelling_exceptions)
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_multifit_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_multifit_standards.py", line 26, in test_show
    return self.assertShow(IMP.multifit, exceptions)
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_multifit_standards.py", line 12, in test_value_objects
    return self.assertValueObjects(IMP.multifit,exceptions)
  File "/private/tmp/nightly-build-90354/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 87.141s

FAILED (failures=5, errors=4)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
PairsRestraint 0
PairScore 1
UnaryFunction2
1z5s_C1.pdb RigidBodyHierarchy 0
1z5s_A.pdb RigidBodyHierarchy 0
ListSingletonContainer0
ConnectivityRestraint 0
GridCPF
PairScore 0
UnaryFunction1
AccumulateRigidBodyDerivatives11
1z5s_A.pdb rigid body positions
AccumulateRigidBodyDerivatives10
normalize rigid bodies
NormalizeRotation4
rigid bodies list
Atom CA of residue 587
LYS
Atom CA of residue 586
TYR
Atom CA of residue 585
Atom CA of residue 584
THR
Atom CA of residue 583
GLN
Atom CA of residue 582
LEU
LEU
Atom CA of residue 580
SER
Atom CA of residue 578
ARG
Atom CA of residue 576
PHE
Atom CA of residue 575
SER
Atom CA of residue 574
Atom CA of residue 573
Atom CA of residue 572
Atom CA of residue 570
SER
Atom CA of residue 567
PRO
Atom CA of residue 566
THR
VAL
PHE
Atom CA of residue 562
LEU
LEU
LEU
PRO
ALA
LEU
ALA
PHE
TYR
GLN
MET
HIS
ALA
MET
LEU
PRO
GLY
LEU
ILE
LYS
Atom CA of residue 530
Atom CA of residue 529
Atom CA of residue 527
Atom CA of residue 525
Atom CA of residue 524
Atom CA of residue 523
Atom CA of residue 522
GLY
Atom CA of residue 521
MET
Atom CA of residue 520
Atom CA of residue 519
VAL
Atom CA of residue 518
LEU
Atom CA of residue 517
Atom CA of residue 516
Atom CA of residue 515
THR
Atom CA of residue 514
LEU
Atom CA of residue 512
THR
Atom CA of residue 511
ASN
SER
Atom CA of residue 509
ASN
Atom CA of residue 508
Atom CA of residue 507
SER
ASN
Atom CA of residue 503
Atom CA of residue 502
ALA
Atom CA of residue 501
Atom CA of residue 500
GLN
Atom CA of residue 499
MET
Atom CA of residue 498
ALA
Atom CA of residue 496
Atom CA of residue 495
VAL
Atom CA of residue 494
ALA
Atom CA of residue 492
Atom CA of residue 491
Atom CA of residue 490
MET
Atom CA of residue 488
ARG
Atom CA of residue 487
VAL
Atom CA of residue 486
THR
Atom CA of residue 485
ALA
Atom CA of residue 484
GLU
Atom CA of residue 482
Atom CA of residue 481
VAL
Atom CA of residue 479
SER
Atom CA of residue 478
SER
Atom CA of residue 476
LYS
Atom CA of residue 475
LEU
Atom CA of residue 473
Atom CA of residue 472
Atom CA of residue 468
Atom CA of residue 467
Atom CA of residue 466
SER
THR
Atom CA of residue 463
ASP
Atom CA of residue 462
THR
Atom CA of residue 461
GLN
Atom CA of residue 460
GLN
Atom CA of residue 458
ILE
Atom CA of residue 449
Atom CA of residue 440
ALA
Atom CA of residue 439
LEU
Atom CA of residue 438
Atom CA of residue 437
THR
Atom CA of residue 436
SER
Atom CA of residue 435
VAL
Atom CA of residue 434
ASP
Atom CA of residue 433
1z5s_C1.pdb
Atom CA of residue 157
Atom CA of residue 156
PHE
Atom CA of residue 155
Atom CA of residue 154
LYS
Atom CA of residue 153
Atom CA of residue 152
Atom CA of residue 151
ALA
Atom CA of residue 150
ARG
Atom CA of residue 465
Atom CA of residue 149
Atom CA of residue 448
Atom CA of residue 148
Atom CA of residue 447
Atom CA of residue 147
LEU
LYS
LYS
GLU
Atom CA of residue 141
ASN
Atom CA of residue 140
GLN
Atom CA of residue 139
CYS
Atom CA of residue 138
Atom CA of residue 137
ILE
Atom CA of residue 135
Atom CA of residue 134
ALA
Atom CA of residue 133
GLU
Atom CA of residue 132
Atom CA of residue 131
Atom CA of residue 130
ALA
Atom CA of residue 129
Atom CA of residue 128
ASP
Atom CA of residue 127
GLN
Atom CA of residue 126
ILE
Atom CA of residue 125
ASN
Atom CA of residue 123
Atom CA of residue 122
LEU
GLN
ILE
LEU
LEU
ILE
Atom CA of residue 112
Atom CA of residue 111
Atom CA of residue 109
THR
Atom CA of residue 106
Atom CA of residue 105
Atom CA of residue 104
Atom CA of residue 102
LYS
Atom CA of residue 101
Atom CA of residue 100
GLU
Atom CA of residue 99
GLU
ILE
LEU
CYS
VAL
THR
SER
Atom CA of residue 89
PRO
Atom CA of residue 88
Atom CA of residue 87
ASN
PRO
Atom CA of residue 83
PHE
Atom CA of residue 82
LEU
Atom CA of residue 81
PRO
PRO
Atom CA of residue 79
PHE
Atom CA of residue 77
LYS
Atom CA of residue 76
CYS
Atom CA of residue 75
PRO
PRO
Atom CA of residue 72
SER
Atom CA of residue 70
PRO
Atom CA of residue 69
Atom CA of residue 68
Atom CA of residue 67
ASP
Atom CA of residue 66
LYS
PHE
MET
ARG
Atom CA of residue 61
LEU
LYS
PHE
Atom CA of residue 56
GLY
GLU
TRP
Atom CA of residue 53
PRO
THR
GLY
LYS
Atom CA of residue 49
Atom CA of residue 47
Atom CA of residue 46
ILE
Atom CA of residue 45
ALA
Atom CA of residue 44
Atom CA of residue 43
TRP
Atom CA of residue 41
Atom CA of residue 37
MET
Atom CA of residue 35
Atom CA of residue 32
ASN
Atom CA of residue 30
THR
Atom CA of residue 29
VAL
Atom CA of residue 26
Atom CA of residue 25
PHE
Atom CA of residue 24
GLY
Atom CA of residue 23
PHE
Atom CA of residue 22
PRO
Atom CA of residue 20
Atom CA of residue 19
LYS
Atom CA of residue 18
Atom CA of residue 17
Atom CA of residue 16
Atom CA of residue 15
LYS
ARG
GLN
Atom CA of residue 11
ALA
Atom CA of residue 10
LEU
ARG
SER
LEU
Atom CA of residue 6
ALA
Atom CA of residue 5
Atom CA of residue 4
GLY
Atom CA of residue 3
Chain A
CAlphaPDBSelector9
PRO
Atom CA of residue 157
PHE
Atom CA of residue 155
LYS
Atom CA of residue 154
Atom CA of residue 152
GLN
Atom CA of residue 108
Atom CA of residue 151
ILE
ALA
Atom CA of residue 107
Atom CA of residue 150
VAL
Atom CA of residue 148
ARG
LYS
Atom CA of residue 146
GLU
TYR
Atom CA of residue 144
GLU
Atom CA of residue 143
VAL
Atom CA of residue 141
Atom CA of residue 96
ASN
Atom CA of residue 140
Atom CA of residue 95
GLN
Atom CA of residue 139
Atom CA of residue 138
Atom CA of residue 93
TYR
Atom CA of residue 92
ILE
Atom CA of residue 136
Atom CA of residue 91
THR
Atom CA of residue 135
Atom CA of residue 90
TYR
Atom CA of residue 134
ALA
Atom CA of residue 133
Atom CA of residue 131
GLN
Atom CA of residue 129
Atom CA of residue 120
PRO
Atom CA of residue 119
ASP
Atom CA of residue 118
GLN
Atom CA of residue 117
ILE
Atom CA of residue 125
Atom CA of residue 115
PRO
Atom CA of residue 113
ASN
Atom CA of residue 121
Atom CA of residue 119
Atom CA of residue 118
Atom CA of residue 116
Atom CA of residue 115
Atom CA of residue 114
Atom CA of residue 113
Atom CA of residue 112
Atom CA of residue 111
Atom CA of residue 110
Atom CA of residue 106
ARG
TRP
Atom CA of residue 103
ASP
Atom CA of residue 2
LYS
Atom CA of residue 101
ASP
GLU
Atom CA of residue 98
Atom CA of residue 97
ILE
Atom CA of residue 95
LEU
Atom CA of residue 94
CYS
VAL
Atom CA of residue 92
THR
GLY
SER
Atom CA of residue 89
PRO
Atom CA of residue 87
Atom CA of residue 86
ASN
Atom CA of residue 85
PRO
Atom CA of residue 84
HIS
Atom CA of residue 83
PHE
Atom CA of residue 82
LEU
Atom CA of residue 81
PRO
GLU
Atom CA of residue 77
LYS
Atom CA of residue 76
CYS
Atom CA of residue 75
Atom CA of residue 74
PRO
Atom CA of residue 73
PRO
Atom CA of residue 72
SER
SER
Atom CA of residue 70
Atom CA of residue 68
ASP
Atom CA of residue 67
LYS
LEU
MET
Atom CA of residue 62
Atom CA of residue 61
LEU
Atom CA of residue 60
Atom CA of residue 59
Atom CA of residue 58
LEU
Atom CA of residue 57
Atom CA of residue 55
Atom CA of residue 54
TRP
Atom CA of residue 53
PRO
Atom CA of residue 52
THR
Atom CA of residue 51
GLY
LYS
Atom CA of residue 49
Atom CA of residue 48
Atom CA of residue 47
PRO
Atom CA of residue 46
ILE
ListSingletonContainer1
Atom CA of residue 45
GLU
TRP
Atom CA of residue 41
ASN
Atom CA of residue 40
MET
Atom CA of residue 39
LEU
Atom CA of residue 38
Atom CA of residue 37
MET
THR
Atom CA of residue 35
Atom CA of residue 34
Atom CA of residue 33
PRO
Atom CA of residue 32
ASN
Atom CA of residue 31
THR
PRO
Atom CA of residue 28
ALA
Atom CA of residue 25
PHE
Atom CA of residue 24
GLY
PHE
Atom CA of residue 22
PRO
Atom CA of residue 21
HIS
ASP
LYS
Atom CA of residue 18
ARG
Atom CA of residue 15
LYS
Atom CA of residue 14
GLU
Atom CA of residue 12
Atom CA of residue 11
Atom CA of residue 10
Atom CA of residue 8
SER
Atom CA of residue 7
Atom CA of residue 6
ILE
Atom CA of residue 4
GLY
Atom CA of residue 3
1z5s_A.pdb
LeavesRefiner1
normalize rigid bodies
NullModifier3
NormalizeRotation3
MET
Atom CA of residue 118
Atom CA of residue 117
Atom CA of residue 116
Atom CA of residue 115
GLY
Atom CA of residue 114
GLN
Atom CA of residue 113
GLU
Atom CA of residue 112
LEU
Atom CA of residue 111
GLU
Atom CA of residue 109
PRO
Atom CA of residue 105
LEU
Atom CA of residue 104
ILE
Atom CA of residue 103
ILE
LEU
Atom CA of residue 101
GLN
ALA
Atom CA of residue 99
GLN
ARG
Atom CA of residue 95
GLU
Atom CA of residue 94
MET
Atom CA of residue 93
Atom CA of residue 92
ILE
SER
Atom CA of residue 89
ARG
SER
Atom CA of residue 86
VAL
Atom CA of residue 85
ASN
ILE
MET
ILE
VAL
ILE
GLY
Atom CA of residue 76
ARG
TYR
Atom CA of residue 74
Atom CA of residue 73
Atom CA of residue 72
Atom CA of residue 71
Atom CA of residue 70
VAL
Atom CA of residue 69
Atom CA of residue 68
GLY
Atom CA of residue 67
LEU
Atom CA of residue 66
VAL
Atom CA of residue 65
Atom CA of residue 64
LEU
Atom CA of residue 63
LYS
SER
Atom CA of residue 60
GLY
Atom CA of residue 58
SER
Atom CA of residue 57
Atom CA of residue 56
LYS
Atom CA of residue 55
Atom CA of residue 54
ILE
Atom CA of residue 52
LEU
Atom CA of residue 51
GLY
TRP
Atom CA of residue 49
Atom CA of residue 48
GLY
LYS
Atom CA of residue 42
Atom CA of residue 46
LEU
MET
Atom CA of residue 43
LEU
LYS
Atom CA of residue 41
VAL
Atom CA of residue 39
ASP
THR
Atom CA of residue 38
ASP
PRO
Atom CA of residue 37
TRP
ILE
Atom CA of residue 16
Atom CA of residue 36
Atom CA of residue 35
LYS
Atom CA of residue 27
Atom CA of residue 34
Atom CA of residue 33
GLU
GLY
LEU
ALA
LEU
Atom CA of residue 66
LEU
Atom CA of residue 20
Atom CA of residue 19
Atom CA of residue 18
Atom CA of residue 17
Atom CA of residue 16
Atom CA of residue 14
SER
Atom CA of residue 13
Atom CA of residue 12
LYS
Atom CA of residue 11
LEU
ILE
Atom CA of residue 8
GLY
Atom CA of residue 7
ASP
Atom CA of residue 6
Atom CA of residue 5
Atom CA of residue 432
Atom CA of residue 4
Atom CA of residue 3
Atom CA of residue 2
MET
python stream
Atom CA of residue 1
MET
GLY
GLU
LEU
Atom CA of residue 111
Atom CA of residue 110
GLU
HIS
Atom CA of residue 107
CYS
Atom CA of residue 106
Atom CA of residue 105
LEU
Atom CA of residue 104
ILE
Atom CA of residue 103
ILE
Atom CA of residue 102
LEU
LEU
Atom CA of residue 101
GLN
Atom CA of residue 100
ALA
ILE
Atom CA of residue 98
GLN
GLU
MET
LEU
SER
SER
VAL
Atom CA of residue 84
ILE
Atom CA of residue 83
MET
Atom CA of residue 82
VAL
Atom CA of residue 80
GLY
ILE
Atom CA of residue 78
Atom CA of residue 77
GLY
Atom CA of residue 76
ARG
Atom CA of residue 75
GLY
GLU
Atom CA of residue 72
ASP
Atom CA of residue 71
ILE
Atom CA of residue 70
VAL
Atom CA of residue 69
GLY
Atom CA of residue 68
VAL
Atom CA of residue 65
Atom CA of residue 64
LEU
Atom CA of residue 63
LYS
SER
GLY
Atom CA of residue 59
ILE
Atom CA of residue 58
SER
Atom CA of residue 57
GLY
Atom CA of residue 54
ILE
ILE
LEU
GLY
TRP
Atom CA of residue 49
TYR
Atom CA of residue 48
GLY
Atom CA of residue 47
LYS
LEU
Atom CA of residue 20
MET
Atom CA of residue 43
Atom CA of residue 41
VAL
Atom CA of residue 40
Atom CA of residue 39
Atom CA of residue 38
PRO
Atom CA of residue 37
Atom CA of residue 35
LYS
Atom CA of residue 34
Atom CA of residue 33
GLY
Atom CA of residue 31
Chain A
PRO
Atom CA of residue 30
LEU
ASP
Atom CA of residue 29
Atom CA of residue 505
ILE
GLU
Atom CA of residue 25
Atom CA of residue 9
Atom CA of residue 24
ALA
HIS
Atom CA of residue 23
ALA
PHE
Atom CA of residue 22
LEU
LEU
Atom CA of residue 19
TYR
GLY
Atom CA of residue 17
ALA
Atom CA of residue 15
Atom CA of residue 14
Atom CA of residue 504
SER
Atom CA of residue 13
ARG
Atom CA of residue 11
LEU
Atom CA of residue 9
Atom CA of residue 8
GLY
ASP
Atom CA of residue 6
GLN
GLU
Atom CA of residue 4
Atom CA of residue 2
Chain A
python stream
Atom CA of residue 1
LeavesRefiner0
GLU
AccumulateRigidBodyDerivatives8
UpdateRigidBodyMembers8
normalize rigid bodies
NullModifier2
NormalizeRotation2
Atom CA of residue 561
Atom CA of residue 118
VAL
Atom CA of residue 558
Atom CA of residue 115
Atom CA of residue 557
Atom CA of residue 114
GLU
VAL
Atom CA of residue 553
Atom CA of residue 110
GLU
Atom CA of residue 552
Atom CA of residue 109
HIS
Atom CA of residue 551
Atom CA of residue 108
LYS
Atom CA of residue 550
Atom CA of residue 107
Atom CA of residue 549
Atom CA of residue 106
PRO
Atom CA of residue 548
Atom CA of residue 105
LEU
ILE
Atom CA of residue 546
Atom CA of residue 103
ILE
Atom CA of residue 545
Atom CA of residue 102
LEU
GLN
Atom CA of residue 543
Atom CA of residue 100
ALA
ILE
Atom CA of residue 541
Atom CA of residue 98
LYS
Atom CA of residue 540
Atom CA of residue 97
GLN
Atom CA of residue 538
Atom CA of residue 95
Atom CA of residue 537
Atom CA of residue 94
MET
LEU
Atom CA of residue 535
Atom CA of residue 92
ILE
Atom CA of residue 90
SER
Atom CA of residue 89
ARG
Atom CA of residue 87
SER
Atom CA of residue 86
VAL
Atom CA of residue 85
ASN
Atom CA of residue 84
ILE
Atom CA of residue 82
Atom CA of residue 81
Atom CA of residue 79
ILE
GLY
Atom CA of residue 76
ARG
Atom CA of residue 75
TYR
Atom CA of residue 74
SER
GLY
GLU
ASP
ILE
Atom CA of residue 69
GLY
GLY
Atom CA of residue 67
LEU
Atom CA of residue 66
VAL
Atom CA of residue 65
Atom CA of residue 64
Atom CA of residue 63
SER
Atom CA of residue 60
GLY
Atom CA of residue 59
ILE
KClosePairsPairScore 0
SER
Atom CA of residue 57
SER
Atom CA of residue 56
Atom CA of residue 55
GLY
ILE
Atom CA of residue 53
ILE
TYR
Atom CA of residue 52
Atom CA of residue 51
ASN
GLY
Atom CA of residue 50
TRP
Atom CA of residue 49
TYR
GLY
Atom CA of residue 47
PRO
LEU
Atom CA of residue 44
MET
LEU
Atom CA of residue 42
VAL
Atom CA of residue 40
GLY
Atom CA of residue 39
THR
Atom CA of residue 37
ILE
VAL
VAL
Atom CA of residue 32
PRO
Atom CA of residue 30
LEU
Atom CA of residue 29
LEU
Atom CA of residue 27
ILE
LEU
Atom CA of residue 26
GLU
LYS
ILE
Atom CA of residue 24
GLU
Atom CA of residue 23
ALA
ASP
Atom CA of residue 36
Atom CA of residue 19
TYR
GLY
ASP
Atom CA of residue 17
ALA
TYR
Atom CA of residue 16
GLY
Atom CA of residue 15
ALA
Atom CA of residue 14
SER
ASP
Atom CA of residue 13
ARG
Atom CA of residue 12
Atom CA of residue 11
Atom CA of residue 10
ILE
GLY
Atom CA of residue 7
GLY
GLU
ILE
ILE
MET
MET
VAL
Atom CA of residue 117
VAL
Atom CA of residue 116
LYS
Atom CA of residue 114
Atom CA of residue 113
GLU
LEU
VAL
GLU
Atom CA of residue 108
Atom CA of residue 107
CYS
Atom CA of residue 106
PRO
LEU
Atom CA of residue 104
ILE
Atom CA of residue 103
Atom CA of residue 102
LEU
Atom CA of residue 98
Atom CA of residue 97
GLN
ARG
GLU
Atom CA of residue 94
MET
Atom CA of residue 93
LEU
Atom CA of residue 91
SER
Atom CA of residue 89
LYS
Atom CA of residue 88
Atom CA of residue 87
Atom CA of residue 86
Atom CA of residue 85
ASN
ILE
GLY
Atom CA of residue 79
ILE
Atom CA of residue 78
GLU
Atom CA of residue 77
ARG
Atom CA of residue 75
TYR
Atom CA of residue 74
Atom CA of residue 73
Atom CA of residue 72
ASP
Atom CA of residue 71
ILE
Atom CA of residue 70
VAL
GLY
Atom CA of residue 67
LEU
Atom CA of residue 65
ASP
Atom CA of residue 64
Atom CA of residue 62
Atom CA of residue 61
Atom CA of residue 59
Atom CA of residue 58
Atom CA of residue 57
Atom CA of residue 56
Atom CA of residue 54
Atom CA of residue 53
Atom CA of residue 52
Atom CA of residue 50
TRP
Atom CA of residue 49
Atom CA of residue 48
GLY
Atom CA of residue 47
Atom CA of residue 46
LEU
MET
Atom CA of residue 43
Atom CA of residue 42
GLY
THR
GLY
Atom CA of residue 37
ILE
GLN
Atom CA of residue 36
Atom CA of residue 35
LYS
VAL
Atom CA of residue 33
CYS
Atom CA of residue 32
GLY
SER
Atom CA of residue 31
LEU
Atom CA of residue 29
HIS
ILE
Atom CA of residue 25
LYS
Atom CA of residue 24
Atom CA of residue 23
ALA
Atom CA of residue 22
LEU
Atom CA of residue 21
LEU
Atom CA of residue 20
TYR
Atom CA of residue 18
Atom CA of residue 17
ALA
Atom CA of residue 15
GLU
Atom CA of residue 14
ARG
Atom CA of residue 12
ASP
Atom CA of residue 10
LEU
Atom CA of residue 9
ILE
ARG
GLY
ASP
GLY
Atom CA of residue 5
Atom CA of residue 4
ILE
Atom CA of residue 3
ILE
Atom CA of residue 2
Chain A
python stream
Atom CA of residue 1
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
Model 27
1z5s_D.pdb rigid body positions
AccumulateRigidBodyDerivatives7
Atom CA of residue 17
UpdateRigidBodyMembers7
SER
Atom CA of residue 2693
GLY
Atom CA of residue 2691
TYR
Atom CA of residue 2689
LEU
Atom CA of residue 2688
LYS
Atom CA of residue 2687
Atom CA of residue 2686
Atom CA of residue 2684
LYS
Atom CA of residue 2683
LYS
Atom CA of residue 2682
Atom CA of residue 2681
ALA
LYS
Atom CA of residue 2661
TYR
CYS
PHE
Atom CA of residue 2658
Atom CA of residue 2657
GLU
Atom CA of residue 2656
Atom CA of residue 2655
Atom CA of residue 2653
LYS
Atom CA of residue 2652
Atom CA of residue 2651
LYS
Atom CA of residue 2650
THR
Atom CA of residue 2649
ALA
Atom CA of residue 2647
ALA
Atom CA of residue 114
GLU
Atom CA of residue 2646
LYS
GLU
ALA
PRO
Atom CA of residue 2638
LYS
GLU
ARG
Atom CA of residue 2637
TYR
TRP
Atom CA of residue 2636
VAL
ASP
Atom CA of residue 2635
ILE
LEU
Atom CA of residue 2632
ASP
Atom CA of residue 2631
SER
Chain D
1z5s_D.pdb
Atom CA of residue 2629
1z5s_C.pdb rigid body positions
AccumulateRigidBodyDerivatives6
VAL
Atom CA of residue 586
TYR
LEU
Atom CA of residue 584
Atom CA of residue 583
GLN
Atom CA of residue 582
LEU
Atom CA of residue 581
LEU
Atom CA of residue 580
SER
HIS
ALA
Atom CA of residue 576
PHE
Atom CA of residue 575
SER
CYS
Atom CA of residue 573
SER
Atom CA of residue 572
GLU
Atom CA of residue 571
Atom CA of residue 570
Atom CA of residue 569
SER
PRO
LYS
Atom CA of residue 565
THR
Atom CA of residue 564
Atom CA of residue 563
PHE
Atom CA of residue 562
Atom CA of residue 561
Atom CA of residue 560
Atom CA of residue 559
LEU
Atom CA of residue 557
ALA
LEU
Atom CA of residue 555
ALA
Atom CA of residue 554
LYS
PHE
TYR
ASP
Atom CA of residue 549
GLN
Atom CA of residue 548
GLN
Atom CA of residue 547
Atom CA of residue 66
VAL
Atom CA of residue 546
MET
Atom CA of residue 545
ASN
LEU
LEU
GLY
TYR
ILE
ALA
Atom CA of residue 13
LYS
VAL
LYS
Atom CA of residue 34
ASP
SER
LEU
LEU
GLY
MET
HIS
VAL
LEU
LEU
Atom CA of residue 516
THR
Atom CA of residue 514
Atom CA of residue 513
THR
Atom CA of residue 506
Atom CA of residue 511
ASN
Atom CA of residue 510
SER
ASN
Atom CA of residue 508
PHE
Atom CA of residue 507
SER
Atom CA of residue 506
SER
Atom CA of residue 505
SER
ASN
Atom CA of residue 503
PHE
Atom CA of residue 502
LYS
LEU
Atom CA of residue 500
GLN
MET
ASP
Atom CA of residue 498
SER
LEU
PHE
Atom CA of residue 497
ASP
Atom CA of residue 495
Atom CA of residue 494
ALA
Atom CA of residue 493
ASP
Atom CA of residue 67
Atom CA of residue 492
VAL
ALA
Atom CA of residue 532
Atom CA of residue 489
ALA
MET
Atom CA of residue 488
GLU
ASP
LYS
Atom CA of residue 482
LYS
PHE
ILE
VAL
Atom CA of residue 479
SER
Atom CA of residue 478
Atom CA of residue 477
VAL
Atom CA of residue 476
LYS
LEU
Atom CA of residue 474
PHE
Atom CA of residue 473
ALA
Atom CA of residue 472
Atom CA of residue 471
VAL
Atom CA of residue 470
VAL
Atom CA of residue 469
LYS
GLU
Atom CA of residue 467
PRO
Atom CA of residue 466
SER
ALA
Atom CA of residue 464
THR
SER
Atom CA of residue 463
THR
VAL
Atom CA of residue 461
GLN
LYS
Atom CA of residue 460
GLU
Atom CA of residue 459
PRO
Atom CA of residue 458
ILE
ASP
Atom CA of residue 457
LEU
VAL
Atom CA of residue 455
SER
Atom CA of residue 454
SER
LYS
Atom CA of residue 451
Atom CA of residue 450
Atom CA of residue 449
LEU
ARG
VAL
LEU
Atom CA of residue 455
Atom CA of residue 447
Atom CA of residue 454
Atom CA of residue 446
SER
LYS
LYS
GLU
Atom CA of residue 452
Atom CA of residue 444
PRO
PRO
GLY
SER
Atom CA of residue 441
PHE
Atom CA of residue 440
LEU
Atom CA of residue 438
PHE
GLU
TYR
THR
Atom CA of residue 443
Atom CA of residue 143
Atom CA of residue 435
SER
VAL
VAL
PRO
ARG
ASP
Chain C
1z5s_C.pdb
1z5s_B.pdb rigid body positions
AccumulateRigidBodyDerivatives5
GLY
Atom CA of residue 97
Atom CA of residue 72
GLN
Atom CA of residue 94
Atom CA of residue 71
GLU
Atom CA of residue 93
Atom CA of residue 70
GLN
Atom CA of residue 92
TYR
Atom CA of residue 89
ILE
VAL
Model 31
Atom CA of residue 87
Atom CA of residue 86
GLU
GLU
Atom CA of residue 82
Atom CA of residue 80
GLU
LYS
PRO
Atom CA of residue 77
Atom CA of residue 76
HIS
Atom CA of residue 75
ASN
ASP
ALA
Atom CA of residue 72
ILE
Atom CA of residue 71
ARG
GLN
Atom CA of residue 69
GLY
Atom CA of residue 68
GLU
PHE
Atom CA of residue 66
LEU
PHE
Atom CA of residue 63
LEU
Atom CA of residue 62
Atom CA of residue 61
ASN
Atom CA of residue 60
MET
Atom CA of residue 59
PRO
Atom CA of residue 57
GLY
Atom CA of residue 56
ARG
Atom CA of residue 54
Atom CA of residue 44
Atom CA of residue 53
Atom CA of residue 51
SER
Atom CA of residue 50
Atom CA of residue 49
LYS
Atom CA of residue 48
LEU
Atom CA of residue 47
LYS
Atom CA of residue 46
LYS
Atom CA of residue 45
Atom CA of residue 43
THR
THR
Atom CA of residue 41
MET
LYS
Atom CA of residue 39
VAL
LYS
Atom CA of residue 36
HIS
Atom CA of residue 35
ILE
Atom CA of residue 34
GLU
Atom CA of residue 33
SER
Atom CA of residue 32
RigidCPF
SER
Atom CA of residue 31
GLN
LYS
Atom CA of residue 29
GLY
Atom CA of residue 28
ILE
Atom CA of residue 27
VAL
Atom CA of residue 26
Atom CA of residue 25
Atom CA of residue 24
LYS
TYR
Atom CA of residue 123
Atom CA of residue 21
Chain B
1z5s_B.pdb
Atom CA of residue 20
1z5s_A.pdb rigid body positions
AccumulateRigidBodyDerivatives4
SER
NullModifier1
Atom CA of residue 515
NormalizeRotation1
rigid bodies list
ALA
PHE
LYS
THR
LYS
Atom CA of residue 2679
Atom CA of residue 153
GLU
ALA
PHE
GLN
Atom CA of residue 2677
Atom CA of residue 151
Atom CA of residue 2676
Atom CA of residue 150
ASP
VAL
Atom CA of residue 2674
Atom CA of residue 148
ASP
ARG
Atom CA of residue 2673
Atom CA of residue 147
GLU
LYS
Atom CA of residue 2672
Atom CA of residue 146
Atom CA of residue 2671
Atom CA of residue 145
GLU
TYR
Atom CA of residue 2670
Atom CA of residue 144
GLU
GLU
SER
VAL
VAL
ARG
Atom CA of residue 2667
Atom CA of residue 141
TYR
ASN
Atom CA of residue 2666
Atom CA of residue 140
ASP
GLN
Atom CA of residue 2665
Atom CA of residue 139
PRO
CYS
Atom CA of residue 2664
Atom CA of residue 138
ARG
TYR
Atom CA of residue 2663
Atom CA of residue 137
Atom CA of residue 136
THR
TYR
Atom CA of residue 134
GLU
Atom CA of residue 131
GLN
ALA
Atom CA of residue 129
Atom CA of residue 128
Atom CA of residue 127
GLN
Atom CA of residue 124
PRO
Atom CA of residue 123
Atom CA of residue 122
ASN
Atom CA of residue 121
LEU
Atom CA of residue 119
GLU
Atom CA of residue 117
ILE
GLY
LEU
LEU
ILE
GLN
LYS
ILE
Atom CA of residue 107
ALA
Atom CA of residue 106
PRO
Atom CA of residue 105
ARG
Atom CA of residue 104
TRP
Atom CA of residue 103
ASP
Atom CA of residue 102
LYS
Atom CA of residue 101
ASP
Atom CA of residue 100
Atom CA of residue 99
GLU
Atom CA of residue 97
ILE
Atom CA of residue 96
Atom CA of residue 94
CYS
Atom CA of residue 93
VAL
Atom CA of residue 92
THR
Atom CA of residue 91
GLY
Atom CA of residue 90
Atom CA of residue 89
PRO
Atom CA of residue 88
TYR
Atom CA of residue 87
Atom CA of residue 84
HIS
Atom CA of residue 82
Atom CA of residue 81
PRO
Atom CA of residue 80
Atom CA of residue 79
Atom CA of residue 78
Atom CA of residue 77
Atom CA of residue 76
Atom CA of residue 63
CYS
Atom CA of residue 75
Atom CA of residue 62
LYS
PRO
Atom CA of residue 73
PRO
SER
Atom CA of residue 70
PRO
Atom CA of residue 69
ALA
TYR
Atom CA of residue 68
Atom CA of residue 28
ASP
ASP
Atom CA of residue 65
PHE
Atom CA of residue 64
Atom CA of residue 63
Atom CA of residue 62
GLY
ARG
Atom CA of residue 58
Atom CA of residue 61
LEU
LEU
Atom CA of residue 59
PHE
Atom CA of residue 58
LEU
Atom CA of residue 57
GLY
Atom CA of residue 56
GLY
Atom CA of residue 55
GLU
Atom CA of residue 54
TRP
Atom CA of residue 53
PRO
Atom CA of residue 52
Atom CA of residue 50
LYS
LYS
Atom CA of residue 48
GLY
Atom CA of residue 47
PRO
Atom CA of residue 46
ILE
Atom CA of residue 45
Atom CA of residue 44
Atom CA of residue 43
GLU
Atom CA of residue 41
Atom CA of residue 40
MET
Atom CA of residue 39
Atom CA of residue 38
ASN
Atom CA of residue 37
Atom CA of residue 36
THR
SER
Atom CA of residue 35
ASP
Atom CA of residue 53
Atom CA of residue 33
Atom CA of residue 52
Atom CA of residue 32
Atom CA of residue 51
Atom CA of residue 31
LYS
Atom CA of residue 50
Atom CA of residue 30
THR
ALA
Atom CA of residue 29
PRO
LYS
Atom CA of residue 28
VAL
ALA
Atom CA of residue 26
VAL
Atom CA of residue 25
Atom CA of residue 44
PHE
ALA
PHE
ARG
PRO
Atom CA of residue 20
Atom CA of residue 26
ASP
ARG
Atom CA of residue 17
TRP
Atom CA of residue 16
LEU
ALA
Atom CA of residue 542
Atom CA of residue 99
Atom CA of residue 15
LYS
ARG
Atom CA of residue 13
Atom CA of residue 12
Atom CA of residue 11
ALA
LEU
ARG
Atom CA of residue 8
Atom CA of residue 7
LEU
GLU
Atom CA of residue 6
Atom CA of residue 5
ILE
Atom CA of residue 3
SER
1z5s_A.pdb
Atom CA of residue 2
CAlphaPDBSelector2
Model 26
AccumulateRigidBodyDerivatives3
UpdateRigidBodyMembers3
Atom CA of residue 32
Atom CA of residue 2693
GLY
Atom CA of residue 31
Atom CA of residue 2692
Atom CA of residue 30
Atom CA of residue 2691
Atom CA of residue 29
Atom CA of residue 2690
TYR
LEU
Atom CA of residue 27
Atom CA of residue 2688
LYS
GLY
Atom CA of residue 25
Atom CA of residue 2686
Atom CA of residue 24
Atom CA of residue 2685
LEU
LYS
Atom CA of residue 21
Atom CA of residue 2682
Atom CA of residue 2681
Atom CA of residue 2680
Atom CA of residue 2679
GLU
Atom CA of residue 2678
PHE
Atom CA of residue 2677
ASP
GLU
Atom CA of residue 2671
GLU
Atom CA of residue 2670
ALA
GLU
Atom CA of residue 2669
Atom CA of residue 2668
Atom CA of residue 2667
Atom CA of residue 4
TYR
GLY
Atom CA of residue 3
ASP
Atom CA of residue 2665
GLU
Atom CA of residue 2
PRO
ILE
ARG
Atom CA of residue 2663
Atom CA of residue 2662
LYS
Atom CA of residue 2661
TYR
Atom CA of residue 2660
Atom CA of residue 2659
PHE
Atom CA of residue 2658
PHE
PRO
PRO
Atom CA of residue 2654
LEU
Atom CA of residue 83
Atom CA of residue 2653
LYS
Atom CA of residue 82
Atom CA of residue 2652
LEU
Atom CA of residue 81
Atom CA of residue 2651
Atom CA of residue 80
Atom CA of residue 2650
THR
ALA
Atom CA of residue 78
Atom CA of residue 2648
LEU
Atom CA of residue 77
Atom CA of residue 2647
Atom CA of residue 2646
LYS
GLN
Atom CA of residue 2644
GLY
Atom CA of residue 2643
ALA
ASP
Atom CA of residue 2641
ILE
Atom CA of residue 2640
THR
LEU
Atom CA of residue 2638
GLU
TYR
Atom CA of residue 2636
Atom CA of residue 2635
ILE
VAL
Atom CA of residue 2632
ASP
Atom CA of residue 2631
LEU
Atom CA of residue 2630
SER
1z5s_D.pdb
Atom CA of residue 2629
1z5s_C.pdb rigid body positions
Atom CA of residue 35
AccumulateRigidBodyDerivatives2
VAL
Atom CA of residue 587
LYS
Atom CA of residue 586
TYR
Atom CA of residue 584
1z5s_D.pdb rigid body positions
THR
Atom CA of residue 583
GLN
Atom CA of residue 582
LEU
Atom CA of residue 580
SER
Atom CA of residue 579
HIS
Atom CA of residue 578
ARG
Atom CA of residue 577
Atom CA of residue 576
PHE
Atom CA of residue 574
CYS
Atom CA of residue 572
Atom CA of residue 570
LEU
ALA
Atom CA of residue 568
SER
PRO
GLY
LYS
SER
VAL
Atom CA of residue 562
LYS
ALA
Atom CA of residue 561
GLY
LEU
Atom CA of residue 560
ILE
LEU
Atom CA of residue 559
ILE
LEU
Atom CA of residue 558
LEU
PRO
Atom CA of residue 556
Atom CA of residue 555
ALA
LYS
Atom CA of residue 553
PRO
PHE
Atom CA of residue 551
TYR
Atom CA of residue 550
ASP
Atom CA of residue 549
GLN
VAL
Atom CA of residue 546
Atom CA of residue 544
ASN
Atom CA of residue 543
LEU
Atom CA of residue 542
ALA
Atom CA of residue 541
MET
Atom CA of residue 540
LEU
Atom CA of residue 539
PRO
Atom CA of residue 538
GLY
Atom CA of residue 537
TYR
Atom CA of residue 536
LEU
ASN
Atom CA of residue 534
ALA
ALA
LYS
Atom CA of residue 530
VAL
Atom CA of residue 528
ASP
GLU
SER
Atom CA of residue 525
LYS
Atom CA of residue 523
LEU
GLY
Atom CA of residue 521
MET
Atom CA of residue 520
HIS
Atom CA of residue 519
VAL
Atom CA of residue 517
LEU
LYS
Atom CA of residue 516
ARG
Atom CA of residue 515
THR
Atom CA of residue 514
ASP
Atom CA of residue 513
LEU
Atom CA of residue 512
ASP
Atom CA of residue 511
ASN
Atom CA of residue 510
ASN
MET
PHE
Atom CA of residue 507
SER
Atom CA of residue 506
Atom CA of residue 505
Atom CA of residue 504
ASN
Atom CA of residue 503
PHE
Atom CA of residue 501
LYS
Atom CA of residue 500
Atom CA of residue 498
LEU
Atom CA of residue 497
Atom CA of residue 544
ALA
Atom CA of residue 543
ASP
Atom CA of residue 495
Atom CA of residue 494
Atom CA of residue 541
ALA
Atom CA of residue 540
ASP
Atom CA of residue 492
Atom CA of residue 539
GLN
Atom CA of residue 491
Atom CA of residue 538
VAL
Atom CA of residue 537
ALA
Atom CA of residue 489
Atom CA of residue 488
Atom CA of residue 535
ARG
Atom CA of residue 487
Atom CA of residue 486
Atom CA of residue 533
THR
Atom CA of residue 485
Atom CA of residue 484
Atom CA of residue 531
GLU
Atom CA of residue 483
Atom CA of residue 530
ASP
Atom CA of residue 482
Atom CA of residue 529
LYS
Atom CA of residue 480
Atom CA of residue 527
VAL
Atom CA of residue 476
Atom CA of residue 523
LYS
Atom CA of residue 475
Atom CA of residue 522
LEU
Atom CA of residue 474
Atom CA of residue 521
PHE
VAL
Atom CA of residue 473
Atom CA of residue 520
ALA
LYS
Atom CA of residue 472
Atom CA of residue 519
SER
ASP
Atom CA of residue 471
Atom CA of residue 518
VAL
VAL
LYS
Atom CA of residue 468
LEU
Atom CA of residue 467
PRO
LEU
Atom CA of residue 466
Atom CA of residue 464
THR
Atom CA of residue 462
THR
Atom CA of residue 461
GLN
Atom CA of residue 460
Atom CA of residue 459
ALA
ILE
VAL
Atom CA of residue 455
SER
Atom CA of residue 454
SER
Atom CA of residue 453
LYS
Atom CA of residue 452
Atom CA of residue 451
LEU
Atom CA of residue 449
Atom CA of residue 448
LEU
Atom CA of residue 447
Atom CA of residue 446
Atom CA of residue 445
GLU
PRO
Atom CA of residue 443
Atom CA of residue 442
PRO
Atom CA of residue 441
ARG
PHE
Atom CA of residue 487
Atom CA of residue 440
Atom CA of residue 486
Atom CA of residue 439
THR
LEU
Atom CA of residue 485
Atom CA of residue 438
ALA
PHE
Atom CA of residue 437
THR
Atom CA of residue 436
SER
Atom CA of residue 435
VAL
Atom CA of residue 434
Chain C
GLY
Atom CA of residue 432
1z5s_B.pdb rigid body positions
AccumulateRigidBodyDerivatives1
GLY
GLY
Atom CA of residue 96
THR
GLN
GLU
Atom CA of residue 93
GLN
Atom CA of residue 92
Atom CA of residue 90
GLU
Atom CA of residue 89
ILE
Atom CA of residue 88
Atom CA of residue 87
ASP
Atom CA of residue 86
GLU
Atom CA of residue 7
Atom CA of residue 85
GLU
Atom CA of residue 84
GLU
Atom CA of residue 83
Atom CA of residue 82
GLY
Atom CA of residue 81
LEU
Atom CA of residue 80
GLU
LYS
Atom CA of residue 78
PRO
Atom CA of residue 77
THR
ASN
Atom CA of residue 74
ASP
GLY
Atom CA of residue 73
ALA
LEU
Atom CA of residue 72
ILE
Atom CA of residue 71
ARG
Atom CA of residue 70
GLN
GLY
GLU
PHE
Atom CA of residue 66
LEU
PHE
Atom CA of residue 26
Atom CA of residue 64
ARG
LEU
Atom CA of residue 62
VAL
Atom CA of residue 61
ASN
Atom CA of residue 60
MET
Atom CA of residue 59
PRO
Atom CA of residue 58
Atom CA of residue 57
GLY
Atom CA of residue 55
ARG
GLN
Atom CA of residue 53
CYS
Atom CA of residue 52
Atom CA of residue 51
SER
Atom CA of residue 50
ILE
GLU
Atom CA of residue 49
Atom CA of residue 48
LYS
Atom CA of residue 46
LEU
Chain D
HIS
Atom CA of residue 43
THR
THR
MET
Atom CA of residue 40
Atom CA of residue 39
VAL
Atom CA of residue 38
LYS
Atom CA of residue 37
PHE
HIS
Atom CA of residue 35
ILE
Atom CA of residue 33
SER
Atom CA of residue 32
SER
Atom CA of residue 31
Atom CA of residue 30
GLN
Atom CA of residue 29
GLY
Atom CA of residue 28
Atom CA of residue 27
Atom CA of residue 26
Atom CA of residue 25
LEU
Atom CA of residue 24
Atom CA of residue 464
LYS
Atom CA of residue 23
TYR
GLU
Chain B
1z5s_B.pdb
Atom CA of residue 20
1z5s_A.pdb rigid body positions
Atom CA of residue 451
Atom CA of residue 443
UpdateRigidBodyMembers0
normalize rigid bodies
NullModifier0
NormalizeRotation0
LEU
PRO
PRO
Atom CA of residue 157
ALA
Atom CA of residue 154
LYS
Atom CA of residue 153
ALA
GLN
Atom CA of residue 151
ALA
Atom CA of residue 150
ARG
VAL
Atom CA of residue 148
ARG
Atom CA of residue 147
LYS
GLU
Atom CA of residue 145
TYR
Atom CA of residue 144
GLU
Atom CA of residue 142
Atom CA of residue 157
ARG
Atom CA of residue 141
Atom CA of residue 139
CYS
Atom CA of residue 138
Atom CA of residue 137
ILE
Atom CA of residue 136
THR
Atom CA of residue 135
TYR
Atom CA of residue 134
ALA
GLU
Atom CA of residue 132
Atom CA of residue 131
PRO
ALA
Atom CA of residue 129
PRO
Atom CA of residue 128
ASP
GLN
Atom CA of residue 126
ILE
ASN
Atom CA of residue 124
PRO
Atom CA of residue 123
GLU
Atom CA of residue 2662
UpdateRigidBodyMembers6
ASN
Atom CA of residue 121
Atom CA of residue 120
Atom CA of residue 2644
LEU
Atom CA of residue 2643
GLU
UpdateRigidBodyMembers4
Atom CA of residue 118
Atom CA of residue 2642
GLN
Atom CA of residue 2641
ILE
Atom CA of residue 116
Atom CA of residue 118
Atom CA of residue 2640
GLY
Atom CA of residue 114
Atom CA of residue 116
LEU
Atom CA of residue 115
ILE
Atom CA of residue 111
LYS
Atom CA of residue 110
Atom CA of residue 109
THR
ILE
Atom CA of residue 107
ALA
Atom CA of residue 106
PRO
ARG
TRP
Atom CA of residue 114
ASP
Atom CA of residue 102
Atom CA of residue 113
LYS
Atom CA of residue 101
Atom CA of residue 112
ASP
Atom CA of residue 100
GLU
GLU
LEU
Atom CA of residue 96
SER
LEU
Atom CA of residue 94
CYS
Atom CA of residue 93
Atom CA of residue 92
GLY
Atom CA of residue 90
SER
Atom CA of residue 89
PRO
Atom CA of residue 88
TYR
GLU
Atom CA of residue 87
VAL
ASN
Atom CA of residue 96
PRO
GLY
Atom CA of residue 84
LEU
Atom CA of residue 82
Atom CA of residue 93
LEU
ILE
Atom CA of residue 81
Atom CA of residue 92
PRO
GLN
Atom CA of residue 80
Atom CA of residue 91
PRO
LYS
Atom CA of residue 79
Atom CA of residue 90
GLU
ILE
Atom CA of residue 78
Atom CA of residue 89
PHE
THR
Atom CA of residue 77
Atom CA of residue 88
LYS
ALA
Atom CA of residue 75
PRO
Atom CA of residue 74
PRO
Atom CA of residue 72
SER
Atom CA of residue 71
SER
Atom CA of residue 70
PRO
Atom CA of residue 69
TYR
Atom CA of residue 68
ASP
Atom CA of residue 67
ASP
Atom CA of residue 3
Atom CA of residue 66
Atom CA of residue 65
PHE
LEU
Atom CA of residue 63
MET
ARG
LEU
LYS
Atom CA of residue 59
PHE
Atom CA of residue 58
Atom CA of residue 57
GLY
Atom CA of residue 56
GLY
GLU
TRP
Atom CA of residue 53
PRO
Atom CA of residue 52
THR
Atom CA of residue 50
LYS
Atom CA of residue 49
GLY
Atom CA of residue 46
ILE
ALA
Atom CA of residue 46
Atom CA of residue 44
Atom CA of residue 45
Atom CA of residue 43
GLU
Atom CA of residue 42
Atom CA of residue 41
ASN
Atom CA of residue 40
Atom CA of residue 39
LEU
Atom CA of residue 13
Atom CA of residue 38
GLN
Atom CA of residue 37
Atom CA of residue 27
MET
Atom CA of residue 36
THR
Atom CA of residue 35
Atom CA of residue 34
Atom CA of residue 32
ASN
LYS
Atom CA of residue 29
PRO
VAL
HIS
Atom CA of residue 27
VAL
Atom CA of residue 25
PHE
ASN
Atom CA of residue 24
GLY
ALA
Atom CA of residue 23
PHE
Atom CA of residue 21
HIS
ASP
MET
ASP
Atom CA of residue 19
LYS
THR
ARG
ALA
Atom CA of residue 17
TRP
ALA
Atom CA of residue 15
ALA
ARG
Atom CA of residue 13
GLN
VAL
Atom CA of residue 11
ALA
Atom CA of residue 10
Atom CA of residue 9
ARG
Atom CA of residue 8
SER
Atom CA of residue 6
ALA
Atom CA of residue 5
ILE
Atom CA of residue 4
GLY
Atom CA of residue 3
SER
Chain A
1z5s_A.pdb
Atom CA of residue 2
CAlphaPDBSelector1
THR
Model 25
P2121
P2120
P2119
SER
P2118
P2116
P2115
Atom CA of residue 23
Atom CA of residue 2684
P2114
Atom CA of residue 20
LYS
P2113
GLN
Atom CD of residue 88
Atom CA of residue 117
Atom CA of residue 44
Atom CA of residue 57
Atom CA of residue 148
Atom C of residue 5
Atom CA of residue 141
GLY
Atom CG2 of residue 87
Atom CA of residue 131
Atom O of residue 67
Atom CA of residue 129
ASN
Atom CZ3 of residue 53
Atom CA of residue 50
Atom CA of residue 62
Atom C of residue 86
Atom CA of residue 54
Atom N of residue 38
Atom C of residue 53
Atom CD of residue 11
Atom N of residue 53
Atom CA of residue 85
THR
Atom OE2 of residue 84
GLY
Atom CA of residue 134
Atom O of residue 83
GLU
Atom CG of residue 137
Atom CH2 of residue 41
TRP
PHE
Atom CB of residue 79
Atom O of residue 41
ALA
Atom CA of residue 50
Atom CB of residue 76
GLY
GLY
Atom O of residue 99
Atom C of residue 56
Atom CA of residue 46
Atom CA of residue 18
Atom CA of residue 75
Atom O of residue 24
Atom CA of residue 115
Atom CA of residue 142
Atom CA of residue 149
Atom CA of residue 70
Atom CE of residue 76
TYR
ARG
Atom NE2 of residue 69
GLY
Atom N of residue 148
ILE
Atom CA of residue 9
VAL
Atom O of residue 139
Atom CA of residue 41
Atom CG of residue 30
Atom CD2 of residue 137
Atom CD1 of residue 66
Atom O of residue 125
ILE
GLY
ILE
Atom N of residue 65
Atom CB of residue 123
Atom CA of residue 2664
Atom CA of residue 38
Atom CD1 of residue 109
SER
Atom CA of residue 84
Atom N of residue 74
THR
Atom CA of residue 2656
Atom CB of residue 105
Atom O of residue 104
Atom CG of residue 47
ARG
Atom CG1 of residue 25
ARG
Atom C of residue 46
Atom CD2 of residue 44
Atom O of residue 99
Atom CB of residue 20
Chain B
Atom CD1 of residue 97
Atom CA of residue 527
Atom CE of residue 36
Atom CA of residue 79
LEU
P2120
Atom C of residue 96
Atom CA of residue 567
Atom CG1 of residue 38
LYS
Atom C of residue 37
Atom N of residue 94
Atom CA of residue 563
Atom CE2 of residue 36
Atom OD1 of residue 66
Atom CB of residue 43
Atom CD1 of residue 64
ARG
Atom C of residue 93
Atom CA of residue 102
Atom CB of residue 154
NullModifier4
Atom CG of residue 147
PRO
Atom CA of residue 553
Atom CD of residue 8
HIS
Atom CE1 of residue 82
Atom CA of residue 64
VAL
Atom ND1 of residue 35
Model 18
GLU
Atom CA of residue 33
GLY
Atom CH2 of residue 103
Atom CG of residue 35
Atom O of residue 82
Atom CB of residue 131
Atom CG of residue 11
Atom CD of residue 84
Atom C of residue 29
SER
Atom CA of residue 469
Atom N of residue 29
Atom N of residue 34
VAL
Atom CA of residue 113
Atom N of residue 111
Atom CA of residue 5
VAL
CYS
Atom O of residue 50
CYS
Atom CA of residue 15
Atom CA of residue 110
THR
Atom CG of residue 103
TYR
Atom CA of residue 102
Atom CA of residue 2634
Atom CB of residue 150
Atom CA of residue 45
Atom O of residue 95
Atom NZ of residue 101
Atom CA of residue 548
Atom CA of residue 121
Atom C of residue 20
Atom CD of residue 25
Atom C of residue 18
Atom CA of residue 70
Atom N of residue 70
Atom NZ of residue 45
Atom CA of residue 10
HIS
LEU
Atom OG1 of residue 108
Atom CA of residue 77
TYR
Atom SG of residue 75
Atom CD2 of residue 65
Atom CG of residue 126
Atom CA of residue 82
Atom CD2 of residue 155
Atom CB of residue 17
PRO
Atom O of residue 153
LYS
Atom N of residue 71
Atom O of residue 5
Atom CG of residue 59
Atom CG1 of residue 142
Atom O of residue 118
Atom CD of residue 77
Atom N of residue 17
Atom OD2 of residue 67
Atom O of residue 59
Atom N of residue 7
Atom CA of residue 155
GLN
ASP
Atom CD1 of residue 68
PHE
Atom O of residue 131
Atom CA of residue 2654
Atom N of residue 66
ILE
Atom C of residue 32
Atom CA of residue 64
THR
Atom CG of residue 143
GLN
Atom CB of residue 117
Atom CD2 of residue 58
Atom CA of residue 108
Atom C of residue 61
Atom O of residue 55
Atom CB of residue 92
Atom CA of residue 108
Atom CZ of residue 13
Atom CA of residue 60
Atom CB of residue 91
VAL
Atom CA of residue 67
Atom CA of residue 40
Atom O of residue 67
GLU
Atom O of residue 57
ILE
Atom CA of residue 85
Atom N of residue 4
LEU
Atom SD of residue 82
Atom CB of residue 16
Atom CB of residue 138
Atom OE2 of residue 145
Atom C of residue 100
LEU
LYS
Atom O of residue 43
PRO
Atom CA of residue 585
Atom C of residue 138
ASP
GLY
Atom CD of residue 85
Atom OE2 of residue 98
Atom O of residue 41
Atom N of residue 97
Atom CA of residue 531
THR
Atom CB of residue 15
LEU
Atom C of residue 3
Atom CG of residue 22
Atom O of residue 85
Atom CA of residue 581
Atom CB of residue 97
Atom CA of residue 52
Atom OE1 of residue 79
Atom CG1 of residue 116
Atom CA of residue 133
Atom OE2 of residue 132
Atom CB of residue 124
Atom OE1 of residue 42
Atom ND2 of residue 121
Atom O of residue 12
Atom ND2 of residue 37
Atom O of residue 120
Atom CA of residue 57
LEU
Atom CE of residue 78
Atom CA of residue 30
Atom CB of residue 113
Atom CA of residue 67
Atom CB of residue 109
ASP
Atom O of residue 58
Atom CB of residue 64
Atom C of residue 77
Atom CA of residue 41
Atom CD1 of residue 116
Atom CA of residue 14
Atom C of residue 115
Atom CA of residue 46
Atom C of residue 57
Atom CA of residue 3
Atom NZ of residue 65
Atom C of residue 81
Atom N of residue 3
Atom OD2 of residue 73
Atom CD2 of residue 21
Atom CA of residue 50
Atom NH2 of residue 54
Atom CB of residue 29
Atom N of residue 22
Atom CG2 of residue 71
python stream rigid body positions
Atom O of residue 94
Atom N of residue 130
AccumulateRigidBodyDerivatives9
Atom CB of residue 111
MET
Atom CA of residue 68
Atom CA of residue 74
Atom CB of residue 69
Atom CA of residue 79
Atom CB of residue 14
Atom CE1 of residue 66
Atom CA of residue 64
Atom CG1 of residue 125
Atom CB of residue 70
Atom OD1 of residue 124
Atom CB of residue 65
Atom CG1 of residue 136
Atom CA of residue 124
Atom CA of residue 38
Atom CA of residue 59
Atom CG of residue 37
Atom CA of residue 85
Atom CA of residue 64
Atom CB of residue 75
Atom CD1 of residue 134
Atom CA of residue 56
P2119
Atom CD of residue 123
Atom O of residue 42
Atom CA of residue 54
Atom OE1 of residue 117
Atom C of residue 133
Atom C of residue 85
LEU
Atom CA of residue 8
Atom CD2 of residue 155
Atom N of residue 51
Atom CG of residue 82
Atom CB of residue 72
Atom O of residue 97
ALA
Atom CA of residue 130
Atom CA of residue 97
GLY
ALA
Atom N of residue 59
Atom N of residue 97
Atom CA of residue 125
GLY
Atom OG1 of residue 95
Atom CA of residue 126
Atom CB of residue 95
Atom O of residue 157
Atom O of residue 95
Atom C of residue 95
GLY
PHE
LYS
Atom CA of residue 95
THR
Atom N of residue 95
GLU
Atom CA of residue 122
Atom NE2 of residue 94
Atom OE1 of residue 94
Atom CD of residue 94
Atom CA of residue 116
Atom C of residue 94
Atom CA of residue 115
Atom O of residue 89
GLN
Atom C of residue 28
Atom N of residue 94
Atom CG of residue 93
Atom CA of residue 112
GLU
Atom OE1 of residue 92
Atom CA of residue 92
GLN
Atom CD1 of residue 16
Atom N of residue 92
Atom CE2 of residue 91
Atom CG of residue 91
Atom CE2 of residue 58
TYR
Atom C of residue 22
Atom CG2 of residue 90
Atom CG1 of residue 90
CYS
Atom CB of residue 90
VAL
Atom C of residue 90
Atom CA of residue 86
Atom NE of residue 54
Atom CA of residue 90
Atom N of residue 90
Atom O of residue 127
Atom CG of residue 89
Atom CB of residue 89
ARG
Atom O of residue 89
Atom NH1 of residue 147
Atom CA of residue 95
HIS
Atom C of residue 89
LEU
Atom CA of residue 83
Atom CA of residue 89
Atom CD1 of residue 88
Atom CG1 of residue 88
Atom CA of residue 64
LYS
Atom O of residue 78
Atom O of residue 88
PHE
Atom C of residue 88
Atom CA of residue 88
Atom CG1 of residue 87
Atom CA of residue 107
Atom CB of residue 87
Atom O of residue 87
Atom N of residue 87
GLN
Atom OD1 of residue 86
Atom O of residue 86
Atom CB of residue 53
Atom N of residue 86
Atom N of residue 127
Atom OE2 of residue 85
Atom CD of residue 89
Atom OE1 of residue 85
Atom CG1 of residue 148
Atom CD of residue 85
Atom CG of residue 85
Atom CA of residue 111
Atom CB of residue 85
Atom C of residue 85
GLU
THR
Atom CD of residue 84
Atom CB of residue 84
Atom CA of residue 132
Atom O of residue 84
Atom O of residue 84
Atom CG of residue 63
Atom CA of residue 84
GLU
Atom CA of residue 60
Atom CD1 of residue 155
GLY
Atom N of residue 84
Atom CB of residue 83
Atom C of residue 83
Atom CA of residue 66
Atom CA of residue 83
Atom N of residue 83
MET
Atom N of residue 82
Atom O of residue 81
Atom C of residue 81
ASN
Atom CA of residue 81
Atom O of residue 15
GLY
Atom C of residue 15
Atom N of residue 81
Atom CD2 of residue 80
Atom CD1 of residue 80
Atom CB of residue 80
Atom O of residue 80
MET
Atom N of residue 92
Atom C of residue 80
LEU
Atom CG of residue 79
Atom CE1 of residue 87
Atom C of residue 116
Atom N of residue 26
Atom OE2 of residue 79
GLY
Atom CD of residue 79
Atom O of residue 79
Atom C of residue 79
Atom CA of residue 79
Atom C of residue 41
GLU
Atom CA of residue 499
Atom NE2 of residue 35
Atom CA of residue 91
LEU
Atom N of residue 79
Atom CA of residue 32
Atom NZ of residue 78
Atom C of residue 78
ASN
Atom CD of residue 76
Atom CA of residue 78
LYS
Atom CB of residue 19
Atom CD of residue 77
Atom OE1 of residue 139
Atom CG of residue 77
Atom CB of residue 77
Atom O of residue 77
Atom CA of residue 136
Atom CA of residue 77
Atom N of residue 42
Atom N of residue 77
Atom CB of residue 76
Atom N of residue 30
Atom O of residue 76
Atom C of residue 76
Atom CA of residue 36
Atom CA of residue 76
VAL
Atom CA of residue 22
THR
Atom CA of residue 26
Atom N of residue 76
Atom NE2 of residue 75
Atom CE1 of residue 75
Atom CD2 of residue 75
Atom CG of residue 75
Atom CA of residue 36
HIS
Atom N of residue 75
Atom OD1 of residue 74
Atom C of residue 14
Atom CA of residue 99
Atom CG of residue 74
ILE
Atom C of residue 74
VAL
ASN
Atom N of residue 41
Atom CG of residue 73
Atom O of residue 73
ASP
Atom N of residue 73
Atom CB of residue 72
GLY
Atom CG of residue 12
Atom C of residue 72
1z5s_A.pdb
Atom CA of residue 73
THR
ALA
Atom N of residue 72
Atom CA of residue 95
Atom O of residue 149
Atom CD1 of residue 71
LEU
Atom CB of residue 71
Atom C of residue 29
Atom C of residue 40
Atom O of residue 71
PHE
Atom C of residue 71
Atom NH1 of residue 70
Atom O of residue 130
Atom NE of residue 141
Atom CZ of residue 70
Atom C of residue 130
Atom CD of residue 141
Atom NE of residue 70
ASP
Atom CB of residue 141
Atom CG of residue 70
Atom CA of residue 107
Atom N of residue 141
ARG
Atom N of residue 149
Atom CG of residue 140
Atom OE1 of residue 69
Atom CA of residue 140
Atom O of residue 69
Atom C of residue 69
Atom NE2 of residue 139
GLN
VAL
Atom N of residue 68
Atom C of residue 138
Atom C of residue 67
Atom CA of residue 138
Atom CA of residue 67
Atom O of residue 126
CYS
GLU
Atom N of residue 138
Atom C of residue 126
Atom N of residue 67
Atom N of residue 79
Atom OH of residue 137
Atom CZ of residue 66
THR
Atom CE2 of residue 66
Atom CG of residue 66
LYS
Atom CG of residue 137
Atom CB of residue 66
Atom CA of residue 66
1z5s_A.pdb RigidBodyHierarchy 1
TYR
Atom N of residue 66
Atom N of residue 137
Atom CD2 of residue 65
ALA
Atom NH1 of residue 17
Atom CD1 of residue 136
Atom CD1 of residue 65
1z5s_C1.pdb RigidBodyHierarchy 1
Atom CG of residue 65
Atom CB of residue 136
Atom O of residue 65
LEU
Atom OG1 of residue 135
Atom CE1 of residue 64
Atom CB of residue 135
Atom CD2 of residue 64
GLN
Atom O of residue 135
Atom CD1 of residue 64
Atom CA of residue 55
Atom CG of residue 64
P2121
Atom CA of residue 135
Atom CB of residue 64
Atom O of residue 64
Atom CE1 of residue 134
Atom NH2 of residue 63
Atom NH1 of residue 63
Atom CG of residue 134
Atom NE of residue 63
Atom O of residue 63
Atom C of residue 63
Atom SD of residue 40
Atom CA of residue 63
Atom O of residue 75
ARG
Atom CA of residue 71
Atom CD2 of residue 62
HIS
Atom CG of residue 62
Atom CB of residue 62
Atom O of residue 62
Atom C of residue 62
LEU
Atom OG of residue 61
ALA
Atom CA of residue 46
Atom CA of residue 61
ILE
Atom CG of residue 85
SER
Atom ND2 of residue 60
Atom CB of residue 60
connectivity list
Atom O of residue 60
Atom C of residue 60
ASP
Atom SD of residue 59
Atom O of residue 59
Atom C of residue 59
MET
Atom C of residue 19
Atom N of residue 91
Atom N of residue 59
Atom CD of residue 58
Atom CG of residue 58
GLY
Atom CB of residue 58
LEU
Atom C of residue 64
Atom O of residue 58
Atom C of residue 58
Atom CA of residue 58
Atom CA of residue 23
PRO
Atom N of residue 58
LYS
Atom O of residue 57
VAL
Atom N of residue 57
Atom O of residue 56
Atom C of residue 56
GLY
Atom NE of residue 149
Atom CE3 of residue 53
Atom N of residue 56
Atom OE1 of residue 55
Atom O of residue 55
Atom C of residue 55
Atom NH1 of residue 54
Atom CD of residue 54
Atom CG of residue 54
Atom O of residue 54
Atom C of residue 54
Atom CD1 of residue 96
Atom CA of residue 54
Atom CE2 of residue 87
Atom O of residue 116
Atom N of residue 54
Atom N of residue 27
Atom OE1 of residue 53
ASP
Atom CD of residue 53
Atom CB of residue 53
Atom O of residue 53
ASP
Atom C of residue 53
Atom N of residue 53
Atom SG of residue 52
Atom CE of residue 101
Atom O of residue 52
Atom CA of residue 96
CYS
Atom OH of residue 51
Atom CA of residue 76
Atom CE2 of residue 51
Atom CD2 of residue 51
Atom CD1 of residue 51
Atom CA of residue 51
TYR
Atom OG of residue 50
Atom C of residue 50
Atom CA of residue 50
Atom OE2 of residue 49
python stream
Atom OE1 of residue 49
Atom CB of residue 151
Atom CD of residue 49
THR
Atom O of residue 49
Atom C of residue 49
Atom O of residue 105
Atom CA of residue 49
Atom N of residue 105
Atom CE of residue 48
Atom NH2 of residue 104
Atom CD of residue 48
Atom CG of residue 48
Atom NE of residue 104
Atom O of residue 48
Atom CG of residue 104
Atom CA of residue 48
Atom N of residue 48
PRO
Atom CA of residue 80
Atom CD2 of residue 47
HIS
Atom CB of residue 32
Atom NE2 of residue 111
Atom CD1 of residue 47
ALA
Atom N of residue 104
Atom CB of residue 47
Atom CH2 of residue 103
Atom O of residue 47
Atom CZ3 of residue 103
Atom C of residue 47
ASP
Atom CA of residue 47
Atom N of residue 47
Atom NZ of residue 46
Atom CD of residue 46
PHE
Atom CG of residue 46
Atom CB of residue 46
PRO
Atom O of residue 117
Atom O of residue 46
Atom CA of residue 46
LYS
LYS
Atom CE of residue 45
Atom CG1 of residue 71
Atom CA of residue 95
Atom CG of residue 45
ARG
Atom O of residue 22
Atom N of residue 45
Atom CD1 of residue 44
Atom O of residue 133
Atom O of residue 44
Atom CA of residue 587
Atom CG2 of residue 42
THR
ILE
ASN
Atom CG1 of residue 34
Atom N of residue 42
Atom CA of residue 532
Atom N of residue 95
Atom C of residue 41
Atom C of residue 40
Atom CA of residue 71
Atom N of residue 40
Atom CA of residue 60
GLU
Atom CA of residue 579
Atom NZ of residue 39
Atom CE of residue 39
LYS
ASN
Atom CG2 of residue 38
Atom CD1 of residue 62
LEU
VAL
Atom CA of residue 569
Atom NZ of residue 37
Atom C of residue 145
Atom CE of residue 37
Atom CG of residue 37
Atom O of residue 37
Atom CZ of residue 82
Atom CG of residue 132
Atom CA of residue 37
Atom CA of residue 45
Atom N of residue 37
PRO
Atom CZ of residue 36
Atom O of residue 50
Atom CD2 of residue 36
ASN
Atom CB of residue 126
Atom OE1 of residue 99
SER
Atom NE of residue 8
Atom O of residue 36
PHE
Atom N of residue 36
Atom CG of residue 35
Atom O of residue 35
Atom C of residue 132
Atom C of residue 35
Atom CA of residue 35
ALA
Atom CG2 of residue 34
VAL
ILE
ASP
Atom OE1 of residue 33
Atom CD of residue 33
Atom CG of residue 33
Atom CB of residue 33
ASN
Atom O of residue 19
Atom N of residue 33
Atom CA of residue 534
Atom CA of residue 23
VAL
Atom CA of residue 4
Atom CZ of residue 87
Atom OG of residue 32
Atom O of residue 32
GLU
Atom CD1 of residue 87
Atom CA of residue 32
Atom CB of residue 120
Atom CE2 of residue 51
Atom CD1 of residue 44
Atom O of residue 71
SER
TYR
Atom N of residue 32
GLN
Atom C of residue 46
Atom NH1 of residue 17
Atom CB of residue 31
Atom O of residue 31
Atom N of residue 87
Atom CA of residue 31
Atom O of residue 75
SER
Atom C of residue 75
Atom N of residue 31
Atom CA of residue 479
Atom OD2 of residue 30
Atom CG of residue 30
LYS
Atom CB of residue 30
Atom ND2 of residue 85
Atom CA of residue 30
Atom O of residue 74
Atom C of residue 34
ASP
Atom CA of residue 34
Atom N of residue 30
Atom OE1 of residue 29
Atom CD of residue 29
ASN
Atom CB of residue 29
UpdateRigidBodyMembers5
GLN
Atom CA of residue 73
Atom CA of residue 28
Atom N of residue 56
GLY
Atom N of residue 28
Atom CG2 of residue 27
Atom CG1 of residue 27
Atom CB of residue 27
Atom CG2 of residue 109
Atom C of residue 27
Atom CA of residue 27
ILE
Atom CA of residue 509
Atom N of residue 27
Atom CB of residue 26
ARG
Atom O of residue 26
VAL
Atom CZ of residue 147
Atom CD of residue 70
Atom CA of residue 42
Atom N of residue 26
Atom NZ of residue 25
Atom CA of residue 456
Atom CE of residue 25
Atom CB of residue 25
Atom CG of residue 46
Atom O of residue 25
Atom C of residue 25
LYS
GLU
Atom CA of residue 499
Atom N of residue 25
GLY
Atom CG of residue 69
Atom CA of residue 16
Atom CD2 of residue 24
Atom CD1 of residue 24
GLY
Atom CG of residue 24
SER
Atom CB of residue 24
Atom CA of residue 69
Atom O of residue 24
Atom CA of residue 63
LEU
VAL
Atom N of residue 24
Atom NZ of residue 23
GLN
Atom CD of residue 79
Atom CB of residue 23
Atom CA of residue 444
Atom O of residue 23
Atom CA of residue 23
Atom CA of residue 21
Atom N of residue 23
GLU
Atom CG1 of residue 22
Atom CA of residue 54
Atom O of residue 22
Atom CA of residue 22
TYR
Atom C of residue 92
Atom OH of residue 21
Atom CA of residue 65
Atom O of residue 137
Atom C of residue 66
Atom CE2 of residue 21
VAL
Atom CB of residue 17
Atom CE1 of residue 21
Atom CG of residue 21
Atom CB of residue 21
Atom O of residue 21
Atom CA of residue 21
Atom CA of residue 65
Atom CA of residue 45
Atom N of residue 21
Atom OE2 of residue 20
Atom OE1 of residue 20
Atom CA of residue 475
Atom CD of residue 20
Atom CG of residue 20
GLU
Atom N of residue 20
Atom CA of residue 41
Atom N of residue 147
Atom CD of residue 157
Atom CG of residue 157
PRO
Atom N of residue 157
Atom CA of residue 19
Atom CB of residue 156
VAL
Atom O of residue 156
VAL
Atom CG of residue 58
Atom C of residue 156
Atom CA of residue 156
Atom CA of residue 34
Atom N of residue 156
Atom CZ of residue 155
Atom CE2 of residue 155
Atom CD of residue 94
Atom CD1 of residue 155
Atom CG of residue 155
Atom CB of residue 155
Atom CA of residue 470
Atom O of residue 155
Atom CE of residue 154
Atom C of residue 108
Atom C of residue 85
Atom CB of residue 154
Atom CA of residue 85
Atom O of residue 154
Atom C of residue 154
LYS
Atom N of residue 154
Atom NZ of residue 153
Atom CB of residue 153
Atom O of residue 52
Atom C of residue 153
Atom CB of residue 152
Atom CG of residue 149
Atom CA of residue 149
Atom CG of residue 143
Atom CG1 of residue 148
VAL
Atom CA of residue 119
Atom CB of residue 148
Atom O of residue 148
Atom CA of residue 148
PRO
Atom CB of residue 95
Atom CA of residue 48
TYR
VAL
Atom CE of residue 82
Atom CZ of residue 147
Atom NE of residue 147
Atom CD of residue 147
Atom N of residue 108
Atom CB of residue 147
Atom O of residue 147
GLU
Atom CA of residue 47
GLN
Atom C of residue 147
Atom CE of residue 146
Atom CA of residue 95
Atom CD of residue 146
Atom C of residue 146
LYS
Atom CD1 of residue 6
Atom OE2 of residue 145
Atom CA of residue 126
Atom C of residue 96
Atom CG of residue 145
Atom C of residue 145
Atom CZ of residue 51
Atom CA of residue 145
GLU
Atom N of residue 145
THR
Atom CD2 of residue 144
Atom CD1 of residue 144
Atom CZ of residue 141
Atom CG of residue 144
Atom CB of residue 144
Atom O of residue 144
Atom C of residue 144
LYS
Atom CA of residue 144
Atom N of residue 144
Atom OE1 of residue 143
Atom O of residue 134
Atom N of residue 50
Atom CD of residue 143
Atom O of residue 143
Atom CA of residue 143
Atom CA of residue 110
GLU
Atom CA of residue 147
Atom N of residue 143
Atom C of residue 101
Atom CG2 of residue 142
Atom CG1 of residue 142
Atom ND2 of residue 40
Atom N of residue 49
Atom CB of residue 142
Atom O of residue 142
Atom C of residue 142
Atom CD2 of residue 114
VAL
Atom CA of residue 85
Atom CA of residue 5
Atom CA of residue 90
Atom NH2 of residue 141
Atom CA of residue 79
LEU
GLU
Atom CG of residue 76
Atom NH1 of residue 141
Atom CB of residue 130
Atom CZ of residue 141
Atom CG of residue 44
Atom CB of residue 44
Atom CA of residue 44
Atom CB of residue 70
Atom O of residue 141
Atom CG2 of residue 86
Atom CA of residue 141
LYS
Atom C of residue 129
Atom NZ of residue 14
ARG
Atom CE1 of residue 43
Atom ND1 of residue 43
Atom OD1 of residue 140
Atom CG of residue 43
Atom CA of residue 43
PRO
HIS
ASN
Atom ND2 of residue 121
Atom OG1 of residue 42
Atom N of residue 69
Atom OE1 of residue 139
Atom CG of residue 139
Atom CA of residue 68
Atom CB of residue 139
Atom CA of residue 42
Atom CA of residue 48
Atom CA of residue 98
Atom CA of residue 55
Atom C of residue 139
PHE
Atom CG of residue 67
Atom SG of residue 138
Atom CB of residue 67
Atom CB of residue 138
Atom O of residue 67
Atom O of residue 138
GLU
Atom CA of residue 52
Atom CA of residue 41
Atom CA of residue 91
Atom CE2 of residue 137
Atom CA of residue 65
Atom CD2 of residue 66
Atom CE1 of residue 137
Atom CA of residue 88
Atom O of residue 66
Atom CB of residue 137
LYS
GLN
Atom OE1 of residue 84
Atom CA of residue 5
Atom C of residue 137
Atom CA of residue 137
Atom C of residue 20
Atom CG of residue 39
Atom CB of residue 39
GLU
Atom CA of residue 522
Atom O of residue 39
Atom CA of residue 55
Atom CA of residue 39
Atom C of residue 65
Atom O of residue 136
Atom O of residue 38
Atom CZ of residue 64
Atom N of residue 136
LEU
Atom C of residue 38
Atom CG2 of residue 135
Atom CE2 of residue 64
Atom N of residue 114
Atom OD1 of residue 60
Atom C of residue 135
Atom CA of residue 554
Atom O of residue 45
Atom C of residue 121
Atom CD of residue 37
THR
Atom CA of residue 99
Atom OH of residue 134
Atom CE2 of residue 134
Atom CD2 of residue 134
Atom O of residue 134
SER
Atom C of residue 134
Atom O of residue 50
Atom N of residue 134
Atom CB of residue 133
Atom CB of residue 34
Atom CD of residue 30
Atom O of residue 133
SER
Atom C of residue 133
LYS
ALA
PRO
Atom CG of residue 132
Atom CB of residue 132
Atom CB of residue 32
Atom O of residue 132
Atom C of residue 132
Atom C of residue 65
Atom N of residue 132
Atom CA of residue 544
Atom CA of residue 101
Atom CE2 of residue 144
Atom CB of residue 26
Atom CB of residue 131
GLU
Atom CB of residue 147
ALA
LEU
Atom N of residue 131
Atom CA of residue 91
Atom NE2 of residue 130
Atom OE1 of residue 130
Atom NE2 of residue 55
Atom CD of residue 130
Atom CB of residue 111
Atom CG of residue 83
Atom C of residue 44
Atom CG of residue 141
Atom CA of residue 130
GLU
Atom O of residue 150
Atom N of residue 44
Atom N of residue 139
Atom CB of residue 129
CYS
Atom NZ of residue 76
ALA
Atom CA of residue 106
Atom N of residue 129
VAL
Atom CG of residue 128
Atom CB of residue 128
Atom O of residue 128
PRO
Atom N of residue 154
Atom CG of residue 127
Atom CG of residue 98
Atom CB of residue 127
Atom CA of residue 80
Atom C of residue 127
Atom CG2 of residue 41
LYS
Atom OE2 of residue 67
Atom CA of residue 127
Atom CD of residue 126
Atom C of residue 76
Atom CG of residue 126
Atom N of residue 41
Atom CB of residue 126
ARG
Atom N of residue 133
Atom SD of residue 40
PHE
Atom C of residue 114
Atom CG2 of residue 125
Atom C of residue 71
MET
Atom CB of residue 125
Atom C of residue 125
Atom CA of residue 564
Atom CD of residue 39
Atom CA of residue 87
Atom CA of residue 125
ARG
Atom N of residue 125
Atom ND2 of residue 124
Atom O of residue 124
TRP
ASN
Atom N of residue 124
Atom CG of residue 124
Atom CD of residue 123
GLU
Atom CG of residue 123
Atom N of residue 38
rigid bodies list
Atom O of residue 123
Atom NZ of residue 146
Atom N of residue 80
Atom CA of residue 123
PRO
Atom CB of residue 82
Atom N of residue 123
SER
Atom CB of residue 153
Atom OE1 of residue 122
Atom CD of residue 122
HIS
Atom CG of residue 122
Atom O of residue 122
Atom CZ of residue 87
Atom CD2 of residue 113
GLU
Atom NE of residue 13
Atom N of residue 122
Atom CA of residue 39
Atom CG of residue 121
GLY
Atom C of residue 124
Atom CD1 of residue 97
Atom O of residue 121
Atom CA of residue 121
Atom CA of residue 61
ASN
Atom CA of residue 44
Atom N of residue 121
PRO
Atom CD1 of residue 120
Atom CA of residue 24
Atom CB of residue 107
Atom CG of residue 120
GLY
Atom C of residue 120
Atom CB of residue 42
Atom CA of residue 120
Atom N of residue 120
Atom CD2 of residue 119
ASP
Atom CD1 of residue 119
Atom CG of residue 22
Atom CG of residue 119
Atom C of residue 119
Atom CA of residue 119
LEU
Atom N of residue 119
Atom OE1 of residue 118
Atom CD of residue 118
Atom CG of residue 118
Atom CB of residue 118
Atom O of residue 118
Atom C of residue 118
Atom O of residue 34
Atom CA of residue 118
ProbabilisticAnchorGraph1
Atom NE2 of residue 117
Atom CA of residue 42
Atom CD of residue 117
Atom C of residue 42
ARG
Atom C of residue 117
ALA
Atom N of residue 117
Atom CB of residue 116
Atom O of residue 116
Atom C of residue 116
Atom C of residue 115
Atom CD2 of residue 114
Atom CD1 of residue 114
Atom CG of residue 114
Atom CE2 of residue 53
Atom O of residue 40
Atom C of residue 114
LEU
Atom N of residue 114
Atom C of residue 113
THR
LEU
Atom N of residue 113
Atom C of residue 106
Atom CB of residue 112
Atom O of residue 112
Atom C of residue 112
Atom CA of residue 112
Atom CG2 of residue 45
Atom CA of residue 26
Atom CA of residue 15
Atom N of residue 112
Atom O of residue 74
Atom NE2 of residue 111
Atom CA of residue 2674
Atom CD of residue 111
ARG
Atom CG of residue 111
Atom OG of residue 31
Atom O of residue 111
Atom CG of residue 25
Atom CA of residue 20
Atom CA of residue 111
Atom CA of residue 10
Atom CA of residue 8
GLN
Atom CE of residue 110
Atom CD of residue 110
Atom O of residue 110
Atom O of residue 63
Atom CA of residue 110
Atom N of residue 110
Atom O of residue 109
Atom C of residue 109
ILE
Atom CG2 of residue 108
LEU
Atom OG1 of residue 108
Atom C of residue 108
THR
Atom CA of residue 2676
Atom CA of residue 53
Atom CE1 of residue 24
Atom CD1 of residue 107
Atom N of residue 140
Atom CG2 of residue 107
Atom O of residue 107
Atom C of residue 107
Atom CA of residue 97
GLN
Atom OE1 of residue 67
Atom CA of residue 107
ILE
Atom O of residue 106
Atom CG of residue 49
Atom N of residue 106
Atom CB of residue 49
Atom CD of residue 105
Atom CA of residue 115
Atom CA of residue 105
Atom NZ of residue 48
PRO
Atom C of residue 48
GLY
Atom CD of residue 104
GLU
Atom CA of residue 83
Atom CA of residue 104
GLU
Atom CZ2 of residue 103
Atom CA of residue 36
Atom CE3 of residue 103
Atom NE1 of residue 103
Atom CD1 of residue 103
Atom CB of residue 103
Atom N of residue 64
Atom CA of residue 103
ALA
Atom CG of residue 43
TRP
Atom CA of residue 99
Atom CD of residue 52
Atom N of residue 103
Atom OD1 of residue 102
Atom CG of residue 102
Atom CD2 of residue 83
Atom CB of residue 102
Atom CD2 of residue 64
VAL
Atom CE of residue 14
Atom O of residue 102
LYS
Atom N of residue 102
Atom CG of residue 52
Atom CE of residue 101
ILE
Atom CD of residue 101
Atom CG of residue 101
Atom CB of residue 101
LYS
Atom O of residue 101
Atom CA of residue 34
Atom CG of residue 16
Atom C of residue 101
Atom CA of residue 101
ILE
Atom OE2 of residue 118
Atom CA of residue 143
Atom CA of residue 33
LYS
Atom N of residue 101
Atom CG of residue 100
Atom O of residue 100
Atom CA of residue 53
Atom N of residue 15
Atom N of residue 61
Atom NH2 of residue 104
Atom CA of residue 100
HIS
Atom N of residue 100
Atom OE2 of residue 99
VAL
Atom OE1 of residue 99
ASP
Atom CG of residue 153
Atom CA of residue 80
Atom CD of residue 99
Atom CG of residue 99
Atom C of residue 52
Atom CB of residue 99
Atom CA of residue 99
THR
Atom N of residue 153
GLU
Atom CB of residue 117
VAL
Atom OE1 of residue 98
SER
Atom CG of residue 98
Atom O of residue 98
VAL
Atom O of residue 151
Atom CD2 of residue 97
Atom C of residue 151
Atom O of residue 97
Atom OH of residue 68
Atom CA of residue 97
Atom N of residue 97
LEU
Atom CD1 of residue 96
Atom CA of residue 45
VAL
Atom CG2 of residue 96
Atom CD of residue 28
Atom CA of residue 56
Atom CA of residue 96
Atom C of residue 49
ILE
Atom NE2 of residue 55
Atom N of residue 96
Atom N of residue 113
Atom CG of residue 55
GLU
Atom CA of residue 30
Atom O of residue 95
Atom NH2 of residue 61
Atom CA of residue 95
Atom CG2 of residue 148
SER
GLN
Atom CD2 of residue 94
ASN
Atom CZ of residue 54
Atom CA of residue 39
Atom O of residue 94
Atom NE of residue 54
THR
Atom CA of residue 47
Atom C of residue 94
LEU
Atom CA of residue 94
Atom CB of residue 104
LEU
Atom SG of residue 93
Atom CA of residue 509
Atom O of residue 93
ALA
Atom CA of residue 72
Atom C of residue 44
Atom CA of residue 93
PRO
CYS
Atom N of residue 93
LEU
Atom CG2 of residue 92
Atom CB of residue 92
Atom CA of residue 36
Atom O of residue 92
Atom CA of residue 552
Atom C of residue 92
Atom CA of residue 92
Atom CA of residue 551
VAL
Atom N of residue 92
Atom OH of residue 144
Atom CG2 of residue 91
LEU
Atom CB of residue 91
Atom CG of residue 41
Atom CA of residue 554
Atom CA of residue 111
Atom O of residue 91
GLN
Atom C of residue 91
GLU
Atom N of residue 91
Atom CA of residue 16
Atom O of residue 90
Atom CA of residue 36
Atom C of residue 90
Atom CA of residue 496
Atom N of residue 90
Atom OG of residue 89
ALA
Atom O of residue 89
LYS
Atom C of residue 89
Atom CA of residue 153
Atom CA of residue 89
Atom N of residue 89
GLN
Atom CG of residue 94
Atom CD of residue 88
Atom CG of residue 88
Atom CA of residue 94
GLY
Atom C of residue 88
Atom CA of residue 88
PRO
PRO
Atom O of residue 93
Atom CA of residue 14
Atom CD2 of residue 87
Atom CA of residue 113
Atom C of residue 93
Atom CA of residue 93
Atom C of residue 71
Atom CG of residue 87
Atom CB of residue 87
Atom C of residue 87
Atom CD of residue 92
Atom O of residue 61
TYR
Atom CA of residue 61
Atom N of residue 84
Atom CA of residue 533
Atom O of residue 12
Atom CG2 of residue 86
Atom O of residue 92
Atom CG1 of residue 86
Atom CD1 of residue 144
Atom O of residue 86
Atom CA of residue 525
SER
Atom CA of residue 71
Atom C of residue 86
LYS
Atom CA of residue 477
Atom CA of residue 86
SER
Atom OH of residue 91
Atom CA of residue 524
VAL
VAL
Atom CZ of residue 91
1z5s_C1.pdb rigid body positions
GLY
Atom N of residue 86
Atom C of residue 82
Atom OD1 of residue 85
Atom CD1 of residue 91
Atom CB of residue 85
Atom C of residue 85
Atom O of residue 91
LEU
Atom C of residue 120
Atom CA of residue 85
Atom O of residue 5
Atom CA of residue 29
Atom CG of residue 84
Atom CA of residue 526
Atom CB of residue 84
PRO
Atom N of residue 84
Atom NE2 of residue 83
Atom CA of residue 81
Atom ND1 of residue 83
Atom CB of residue 83
Atom O of residue 83
Atom CA of residue 83
HIS
Atom CE1 of residue 82
Atom O of residue 154
Atom CD2 of residue 82
Atom C of residue 82
Atom N of residue 31
Atom O of residue 129
Atom CA of residue 82
Atom N of residue 82
Atom CA of residue 501
Atom CD1 of residue 119
Atom CD2 of residue 81
Atom CD1 of residue 81
Atom CA of residue 83
Atom CD of residue 128
Atom CG of residue 81
Atom CA of residue 17
Atom CB of residue 81
Atom NH1 of residue 13
PHE
Atom O of residue 81
Atom CA of residue 28
Atom O of residue 111
Atom CA of residue 86
Atom C of residue 128
Atom CA of residue 81
Atom CA of residue 27
Atom N of residue 81
ALA
Atom CD of residue 80
Atom OD1 of residue 127
Atom CB of residue 80
Atom O of residue 80
Atom C of residue 80
GLY
Atom O of residue 127
LEU
Atom CA of residue 80
PRO
Atom CA of residue 491
Atom C of residue 8
Atom CG of residue 79
PRO
Atom OE2 of residue 78
ASP
Atom OE1 of residue 78
Atom CD of residue 78
Atom CA of residue 2
Atom CG of residue 78
Atom CA of residue 34
Atom CB of residue 78
Atom O of residue 78
Atom CA of residue 78
Atom N of residue 78
Atom CA of residue 480
Atom CD2 of residue 77
Atom CA of residue 10
Atom CA of residue 47
Atom CG of residue 77
Atom CB of residue 77
Atom O of residue 77
LEU
Atom C of residue 77
Atom NH1 of residue 149
PHE
Atom N of residue 77
Atom CB of residue 51
Atom CA of residue 66
Atom CG of residue 76
Atom CA of residue 127
Atom O of residue 145
Atom C of residue 76
Atom C of residue 75
Atom CB of residue 93
Atom CA of residue 75
ASP
Atom N of residue 75
Atom O of residue 69
Atom NZ of residue 74
Atom CE of residue 74
Atom CG of residue 74
Atom CD of residue 17
Atom CB of residue 74
ASN
Atom N of residue 80
Atom C of residue 74
Atom C of residue 155
LYS
Atom CG of residue 73
VAL
Atom CB of residue 73
Atom C of residue 73
Atom CD of residue 72
Atom CB of residue 72
Atom CA of residue 22
Atom O of residue 72
Atom CA of residue 453
Atom O of residue 91
Atom C of residue 72
LEU
Atom CA of residue 72
Atom N of residue 72
Atom OG of residue 71
Model 2
Atom CB of residue 71
ALA
Atom O of residue 71
Atom CA of residue 71
Atom C of residue 33
Atom CB of residue 70
Atom CD of residue 69
Atom CB of residue 69
Atom O of residue 69
Atom CA of residue 69
PRO
LeavesRefiner2
Atom CA of residue 48
LYS
Atom CA of residue 117
Atom CZ of residue 68
ALA
ALA
Atom CA of residue 61
Atom CE1 of residue 68
Atom CD2 of residue 68
Atom CA of residue 445
Atom CA of residue 145
Atom CA of residue 437
Atom CD1 of residue 68
GLU
ARG
Atom CG of residue 68
Atom CB of residue 68
Atom O of residue 68
Atom C of residue 68
Atom CA of residue 68
Atom CA of residue 433
Atom CA of residue 149
Atom CB of residue 37
Atom N of residue 68
Atom CA of residue 2669
Atom CA of residue 143
LEU
Atom C of residue 67
Atom CA of residue 67
Atom CA of residue 2668
Atom CA of residue 142
ASP
Atom N of residue 67
THR
Atom OD2 of residue 66
Atom CG of residue 79
Atom CG of residue 66
Atom CB of residue 66
Atom O of residue 66
Atom CA of residue 28
Atom N of residue 66
Atom NZ of residue 65
SER
Atom CA of residue 23
Atom CE of residue 65
Atom CG of residue 128
Atom CG of residue 65
Atom CA of residue 133
Atom O of residue 65
Atom CA of residue 65
Atom CA of residue 130
THR
PRO
Atom CZ of residue 64
Atom CA of residue 124
Atom C of residue 7
Atom CE2 of residue 64
Atom CA of residue 132
PRO
Atom CE1 of residue 64
Atom CD2 of residue 64
ILE
Atom CD1 of residue 64
Atom N of residue 70
PHE
Atom CD2 of residue 63
LEU
Atom CA of residue 32
Atom CA of residue 63
LEU
TYR
Atom CE of residue 62
Atom SD of residue 62
GLN
Atom CG of residue 62
Atom CA of residue 119
Atom CB of residue 62
Atom O of residue 62
Atom CG of residue 23
Atom C of residue 62
Atom N of residue 62
Atom CA of residue 112
Atom CZ of residue 61
Atom CA of residue 149
Atom NE of residue 61
Atom CG of residue 61
Atom CB of residue 61
Atom CA of residue 92
Atom O of residue 61
Atom C of residue 105
Atom CG of residue 77
Atom N of residue 61
Atom CB of residue 48
Atom CZ of residue 104
LEU
Atom CD1 of residue 60
Atom CA of residue 97
ARG
Atom CG of residue 60
LEU
Atom CB of residue 60
Atom CB of residue 104
Atom CA of residue 105
Atom C of residue 60
Atom C of residue 21
Atom CA of residue 104
LEU
Atom CG of residue 141
Atom NZ of residue 59
Atom CA of residue 77
Atom CE of residue 59
Atom CG of residue 153
Atom CD of residue 59
Atom CB of residue 59
SER
Atom O of residue 59
Atom CA of residue 59
LYS
TYR
Atom CZ of residue 58
Atom CB of residue 29
Atom CD2 of residue 58
Atom O of residue 29
Atom CD1 of residue 58
Atom CA of residue 58
Atom C of residue 31
Atom CA of residue 135
Atom N of residue 58
Atom C of residue 31
ASP
Atom CA of residue 152
Atom CD2 of residue 57
Atom CG of residue 57
Atom CB of residue 57
GLN
Atom CA of residue 86
Atom C of residue 57
Atom N of residue 57
Atom O of residue 56
Atom C of residue 56
GLU
Atom O of residue 55
Atom CA of residue 55
GLY
Atom C of residue 61
Model 30
ILE
Atom N of residue 55
Atom OE2 of residue 54
ALA
Atom OE1 of residue 54
Atom CA of residue 109
Atom CD of residue 54
ARG
Atom CB of residue 54
Atom CA of residue 87
CYS
Atom N of residue 9
Atom O of residue 54
Atom C of residue 54
Atom CA of residue 44
Atom CA of residue 54
LEU
Atom N of residue 54
GLU
Atom CA of residue 128
Atom CH2 of residue 53
Atom CA of residue 64
Atom CE3 of residue 53
Atom CE2 of residue 53
Atom O of residue 53
Atom NE1 of residue 53
Atom OG1 of residue 29
Atom CD of residue 52
Atom O of residue 52
Atom CA of residue 55
Atom CA of residue 137
Atom C of residue 52
Atom CA of residue 54
PRO
Atom CG2 of residue 51
Atom CA of residue 62
Atom C of residue 51
SER
LEU
Atom CA of residue 152
Atom CA of residue 533
Atom N of residue 37
Atom CD of residue 98
ALA
Atom CD1 of residue 53
Atom CA of residue 125
GLY
Atom CG of residue 53
Atom N of residue 50
Atom OE1 of residue 151
Atom O of residue 53
Atom CA of residue 55
Atom O of residue 49
Atom CD of residue 151
Atom CA of residue 26
Atom C of residue 49
TRP
LYS
Atom CG of residue 52
LEU
Atom CE of residue 48
LEU
ARG
Atom CB of residue 150
TYR
Atom CB of residue 48
Atom C of residue 150
Atom CA of residue 565
LEU
TYR
Atom C of residue 48
ALA
Atom C of residue 15
LYS
Atom NH2 of residue 149
Atom CA of residue 98
Atom CB of residue 51
GLY
Atom O of residue 47
GLY
Atom O of residue 51
Atom C of residue 47
Atom CZ of residue 149
Atom CA of residue 47
Atom CA of residue 61
THR
Atom N of residue 47
Atom CD of residue 46
Atom CB of residue 46
Atom CA of residue 21
Atom O of residue 46
Atom C of residue 46
Atom OE1 of residue 93
Atom C of residue 110
Atom OH of residue 87
Atom CG2 of residue 45
Atom CB of residue 45
Atom O of residue 45
Atom N of residue 88
Atom N of residue 45
Atom N of residue 149
Atom CG of residue 24
Atom C of residue 44
Atom CA of residue 33
Atom N of residue 58
Atom CA of residue 44
Atom CA of residue 73
Atom SG of residue 43
Atom C of residue 43
Atom O of residue 57
Atom N of residue 90
Atom CA of residue 43
LYS
Atom CB of residue 42
Atom CA of residue 97
Atom O of residue 42
ASP
Atom C of residue 42
Atom N of residue 42
Atom N of residue 27
Atom CA of residue 108
Atom N of residue 22
Atom CZ3 of residue 41
Atom CZ2 of residue 41
Atom CE3 of residue 41
Atom CE2 of residue 41
Atom NE1 of residue 41
Atom OG1 of residue 91
SER
Atom CD1 of residue 41
CYS
Atom CG of residue 41
Atom CB of residue 41
Atom CD of residue 145
PRO
Atom CA of residue 41
Atom NE2 of residue 139
TRP
MET
Atom ND2 of residue 40
Atom OD1 of residue 40
Atom CA of residue 95
Atom CB of residue 50
GLY
Atom CB of residue 40
Atom O of residue 40
Atom O of residue 88
ALA
Atom NZ of residue 154
Atom CA of residue 518
Atom CZ of residue 137
Atom CA of residue 40
GLY
Atom CE of residue 39
Atom CB of residue 80
ALA
Atom SD of residue 39
Atom CG of residue 39
Atom O of residue 39
SER
Atom N of residue 39
Atom CD2 of residue 38
Atom CG of residue 38
Atom CA of residue 72
Atom O of residue 38
LEU
Atom CA of residue 42
Atom CB of residue 37
Atom O of residue 23
Atom O of residue 37
Atom N of residue 37
Atom CA of residue 29
Atom SD of residue 36
Atom CG of residue 36
Atom CB of residue 36
GLY
Atom C of residue 36
Atom CA of residue 36
LYS
Atom CA of residue 117
MET
Atom CA of residue 50
Atom CG2 of residue 35
Atom OG1 of residue 35
Atom N of residue 34
Atom CB of residue 35
Atom N of residue 35
Atom CA of residue 34
Atom CG of residue 33
PRO
ALA
Atom N of residue 132
Atom N of residue 33
Atom N of residue 44
Atom CD of residue 32
Atom CG of residue 32
Atom CB of residue 32
Atom OD1 of residue 40
Atom O of residue 32
Atom C of residue 32
Atom CA of residue 32
GLN
PRO
Atom ND2 of residue 31
1z5s_B.pdb
Atom OD2 of residue 102
Atom CG of residue 31
Atom N of residue 21
Atom CB of residue 31
Atom O of residue 31
Atom CA of residue 31
Atom CD of residue 65
Atom CA of residue 112
Atom OE1 of residue 20
Atom CB of residue 48
Atom NZ of residue 30
Atom CA of residue 97
Atom CE of residue 30
HIS
Atom CA of residue 111
Atom CD of residue 30
Atom CG of residue 30
Atom CB of residue 75
Atom CA of residue 151
Atom CB of residue 30
Atom CA of residue 36
Atom O of residue 75
ARG
VAL
Atom O of residue 30
Atom CA of residue 156
Atom C of residue 30
ALA
Atom CA of residue 30
Atom C of residue 63
Atom O of residue 135
LYS
Atom N of residue 30
Atom CA of residue 52
Atom CG2 of residue 29
Atom N of residue 5
Atom CB of residue 63
LEU
Atom O of residue 63
Atom CA of residue 29
Atom N of residue 29
Atom C of residue 111
Atom N of residue 99
Atom CG of residue 28
SER
Atom CB of residue 28
Atom CA of residue 456
Atom CA of residue 448
Atom C of residue 91
Atom O of residue 28
Atom CA of residue 114
Atom CA of residue 28
Atom CA of residue 30
Atom N of residue 15
Atom CG2 of residue 27
Atom CG1 of residue 27
VAL
Atom C of residue 27
TYR
VAL
GLU
Atom CA of residue 45
Atom N of residue 118
Atom O of residue 26
Atom CG of residue 67
Atom C of residue 26
Atom CG1 of residue 25
Atom CB of residue 25
Atom O of residue 25
Atom CD2 of residue 43
Atom CA of residue 84
Atom ND2 of residue 140
Atom CA of residue 129
Atom C of residue 25
Atom CA of residue 25
Atom CE2 of residue 64
Atom CZ of residue 24
Atom CE2 of residue 24
TYR
Atom CE1 of residue 24
Atom CD1 of residue 24
Atom CA of residue 30
Atom CB of residue 61
LYS
Atom CG of residue 51
Atom O of residue 24
Atom C of residue 26
Atom C of residue 24
GLU
Atom N of residue 146
PHE
Atom O of residue 23
GLY
Atom O of residue 33
Atom CG of residue 118
Atom CA of residue 46
Atom OG of residue 70
Atom N of residue 23
ILE
Atom CZ of residue 22
Atom CE1 of residue 22
Atom CE of residue 154
Atom CA of residue 81
Atom CD1 of residue 22
Atom OH of residue 144
Atom O of residue 22
Atom CA of residue 566
LEU
PHE
Atom CD of residue 21
Atom CG of residue 21
Atom CZ of residue 77
Atom CA of residue 45
Atom CA of residue 133
Atom CB of residue 21
PRO
Atom CB of residue 33
Atom CZ of residue 8
Atom N of residue 21
Atom CA of residue 79
Atom CA of residue 2649
Atom NE2 of residue 20
LEU
Atom CD2 of residue 20
Atom C of residue 31
Atom ND1 of residue 20
UpdateRigidBodyMembers1
Atom CD of residue 139
Atom O of residue 68
Model 0
Atom CG of residue 20
Atom O of residue 20
Atom C of residue 20
ILE
THR
Atom CA of residue 20
Atom CD1 of residue 57
Atom CA of residue 524
Atom OH of residue 137
HIS
Atom N of residue 20
Atom CA of residue 21
Atom CG of residue 19
Atom N of residue 28
Atom CB of residue 19
LYS
Atom O of residue 19
Atom CG of residue 124
Atom CA of residue 2692
ASP
Atom CB of residue 30
Atom CG of residue 60
Atom CB of residue 124
Atom N of residue 19
Atom CB of residue 18
Atom CA of residue 90
Atom O of residue 18
Atom CA of residue 96
Atom CA of residue 52
MET
Atom NE2 of residue 126
Atom CA of residue 18
Atom CG of residue 147
LYS
Atom N of residue 18
ALA
Atom CZ of residue 17
Atom C of residue 44
Atom NE of residue 17
Atom CD of residue 17
Atom CG of residue 97
LYS
Atom CG of residue 17
Atom C of residue 17
ARG
SER
Atom N of residue 73
Atom CZ3 of residue 16
Atom CB of residue 42
Atom CZ2 of residue 16
THR
GLU
Atom CD1 of residue 71
Atom CE2 of residue 16
Atom NE1 of residue 16
GLN
Atom O of residue 16
LYS
Atom CB of residue 55
Atom CB of residue 82
Atom C of residue 16
Atom O of residue 80
Atom CA of residue 16
Atom CZ of residue 21
Atom CA of residue 80
Atom N of residue 16
PHE
Atom O of residue 36
Atom CA of residue 67
Atom CB of residue 15
LYS
Atom CA of residue 15
Atom CG of residue 14
VAL
Atom CZ of residue 8
Atom CG of residue 36
Atom O of residue 14
P2118
ASP
Atom CA of residue 14
Atom CA of residue 74
Atom CA of residue 143
Atom N of residue 14
Atom CD of residue 13
Atom CG of residue 13
Atom CA of residue 13
Atom CG of residue 94
VAL
Atom OE2 of residue 12
Atom OE1 of residue 12
Atom CB of residue 12
Atom CA of residue 12
Atom CA of residue 75
Atom CG2 of residue 95
Atom CA of residue 564
Atom N of residue 12
ALA
Atom NE2 of residue 11
ASN
Atom CA of residue 19
Atom CA of residue 87
Atom CD of residue 11
Atom C of residue 74
Atom CD of residue 48
Atom C of residue 11
Atom CA of residue 16
Atom OG1 of residue 76
Atom N of residue 65
Atom CA of residue 11
Atom CA of residue 2685
Atom CA of residue 70
GLN
Atom O of residue 10
Atom C of residue 10
Atom CD1 of residue 22
ARG
ALA
Atom CD2 of residue 9
Atom CA of residue 45
Atom SD of residue 82
Atom CG of residue 9
Atom CB of residue 9
Atom N of residue 69
Atom O of residue 9
Atom C of residue 9
VAL
Atom CA of residue 9
Atom CA of residue 568
LEU
Atom NH2 of residue 8
Atom CA of residue 508
Atom NH1 of residue 8
Atom CA of residue 20
Atom CG of residue 8
Atom CA of residue 74
Atom NE2 of residue 29
Atom CB of residue 8
Atom CA of residue 74
Atom N of residue 139
Atom CD of residue 67
Atom O of residue 8
Atom CA of residue 127
Atom C of residue 8
ARG
PRO
Atom N of residue 8
ARG
MET
Atom O of residue 50
Atom CB of residue 7
Atom O of residue 7
Atom CB of residue 38
CYS
GLY
Atom CA of residue 7
Atom CA of residue 150
SER
Atom CB of residue 6
Atom C of residue 6
Atom CA of residue 6
LEU
Atom N of residue 6
Atom CD1 of residue 4
Atom C of residue 4
Atom CA of residue 4
ILE
Atom CA of residue 84
Atom O of residue 3
Atom CA of residue 3
Atom CG of residue 113
GLY
Atom CA of residue 140
Atom CA of residue 66
ILE
Atom O of residue 2
SER
Atom CA of residue 36
Chain A
Atom N of residue 77
Atom C of residue 46
1z5s_A.pdb
Atom N of residue 2
TYR
P2127
P2126
Atom N of residue 93
Atom CE2 of residue 82
P2125
Atom CA of residue 78
Atom CD of residue 89
P2124
Atom CA of residue 581
P2123
Atom C of residue 69
Atom N of residue 86
P2122
Atom N of residue 51
GLY
SER
MET
P2117
P2116
Atom CD of residue 28
P2115
P2113
Atom C of residue 32
LEU
Atom CE1 of residue 134
Atom CA of residue 87
Atom CA of residue 114
Atom CA of residue 142
Atom CG of residue 42
Atom N of residue 124
Atom OE2 of residue 67
Atom OE1 of residue 117
Atom C of residue 26
ALA
SER
Atom CG of residue 89
Atom CD1 of residue 63
Atom CG of residue 101
ILE
Atom OH of residue 68
Atom CA of residue 156
Atom C of residue 42
LEU
Atom O of residue 37
Atom CE of residue 74
Atom CA of residue 2630
Atom OD2 of residue 127
VAL
LYS
Atom C of residue 104
Atom CA of residue 59
Atom CZ of residue 155
Atom CA of residue 79
ARG
ASN
VAL
Atom CD2 of residue 91
Atom C of residue 12
ASP
Atom O of residue 82
Atom CD2 of residue 41
Atom CA of residue 2657
Atom CA of residue 96
Atom CG of residue 54
THR
Atom CG2 of residue 88
Atom C of residue 61
VAL
TYR
Atom C of residue 152
Atom CA of residue 545
Atom C of residue 36
Atom OD2 of residue 19
Atom CA of residue 102
Atom CB of residue 11
ILE
Atom CD1 of residue 24
Atom CB of residue 62
GLY
Atom C of residue 45
Atom O of residue 14
Atom CA of residue 103
Atom CG of residue 110
Atom NZ of residue 48
Atom CA of residue 95
Atom N of residue 89
Atom CA of residue 139
ASP
Atom CD1 of residue 116
Atom N of residue 76
PRO
Atom CG of residue 72
Atom O of residue 51
LYS
GLY
LEU
Atom CB of residue 9
Atom CA of residue 91
Atom CA of residue 29
GLN
Atom OD1 of residue 66
LEU
Atom N of residue 95
Atom CA of residue 28
Atom O of residue 10
Atom CD of residue 110
Atom CA of residue 87
ARG
Atom C of residue 93
Atom CD2 of residue 77
Atom C of residue 57
GLU
Atom CA of residue 74
Atom CD of residue 54
Atom CD of residue 76
Atom CA of residue 40
Atom CG of residue 66
Atom CD1 of residue 109
Atom CA of residue 82
Atom C of residue 84
LEU
Atom CE1 of residue 51
Atom CA of residue 104
Atom N of residue 115
Atom C of residue 28
Atom CD1 of residue 77
Atom N of residue 130
VAL
Atom CA of residue 63
Atom CD2 of residue 41
Atom CA of residue 575
Atom C of residue 83
GLY
GLU
CYS
PHE
Atom CA of residue 100
Atom N of residue 32
Atom CA of residue 51
Atom O of residue 21
ALA
Atom CA of residue 144
Atom O of residue 151
Atom O of residue 146
Atom O of residue 11
Atom CZ of residue 64
Atom CA of residue 560
Atom CA of residue 117
Atom CB of residue 36
Atom CB of residue 142
Atom CG of residue 29
Atom CB of residue 114
Atom CD of residue 58
Atom N of residue 79
GLU
Atom CA of residue 470
Atom N of residue 46
Atom C of residue 18
Atom O of residue 123
GLY
Atom NZ of residue 48
Atom CA of residue 20
Atom C of residue 41
Atom CG of residue 80
Atom O of residue 124
Atom CA of residue 25
Atom CE2 of residue 134
Atom CG of residue 32
ARG
Atom CA of residue 47
Atom O of residue 44
Atom C of residue 33
Atom N of residue 155
Atom CE1 of residue 155
Atom C of residue 14
Atom CB of residue 63
Atom CD of residue 139
GLU
Atom CA of residue 64
PHE
Atom CB of residue 38
Atom CA of residue 56
Atom CA of residue 136
Atom CA of residue 91
Atom OD1 of residue 33
Atom CG of residue 65
Atom O of residue 39
Atom CB of residue 82
Atom C of residue 64
Atom N of residue 152
Atom CG of residue 38
GLN
Atom C of residue 34
ALA
Atom CB of residue 129
Atom CA of residue 111
Atom O of residue 6
Atom CG of residue 63
Atom CG2 of residue 38
Atom CA of residue 23
Atom N of residue 30
Atom C of residue 58
Atom CA of residue 90
Atom O of residue 6
GLY
LYS
Atom CB of residue 73
Atom CD of residue 45
Atom N of residue 28
Atom CD of residue 33
Atom CB of residue 43
Atom O of residue 96
THR
Atom O of residue 46
GLY
Atom CA of residue 120
Atom CE1 of residue 144
Atom CA of residue 100
Atom CA of residue 566
Atom C of residue 97
Atom N of residue 96
Atom CG2 of residue 112
Atom CA of residue 50
Atom N of residue 54
GLU
Atom N of residue 95
Atom N of residue 35
Atom NE2 of residue 94
ALA
Atom O of residue 72
Atom OE1 of residue 94
Atom CB of residue 94
Atom C of residue 33
Atom CG of residue 93
Atom CA of residue 33
Atom C of residue 58
Atom CA of residue 92
Atom C of residue 51
Atom O of residue 40
Atom CA of residue 86
Atom CB of residue 54
Atom CA of residue 113
Atom CA of residue 58
Atom NE2 of residue 69
Atom CG of residue 54
Atom CA of residue 93
Atom CD of residue 92
Atom CG1 of residue 96
HIS
Atom O of residue 92
Atom CG of residue 46
Atom CA of residue 577
Atom CD of residue 104
Atom CB of residue 96
Atom CA of residue 91
Atom O of residue 58
Atom C of residue 92
ASP
Atom OH of residue 91
Atom C of residue 11
Atom CE1 of residue 91
Atom NE2 of residue 43
Atom N of residue 39
Atom CB of residue 91
Atom CA of residue 59
Atom CA of residue 10
Atom O of residue 91
Chain A
Atom C of residue 91
Atom CB of residue 89
Atom CB of residue 36
Atom CB of residue 108
Atom C of residue 88
LEU
Atom CD1 of residue 9
Atom O of residue 60
LEU
Atom CZ of residue 82
LYS
Atom CB of residue 28
Atom CD1 of residue 9
Atom CB of residue 87
Atom CA of residue 63
Atom OE1 of residue 85
Atom C of residue 23
Atom CA of residue 76
Atom CG of residue 85
Atom O of residue 49
Atom CA of residue 42
Atom CB of residue 20
Atom N of residue 85
Atom CA of residue 51
Atom OE2 of residue 84
LYS
Atom CD of residue 84
Atom CD of residue 13
GLN
Atom C of residue 65
Atom N of residue 128
Atom CA of residue 481
Atom CG of residue 84
Atom C of residue 148
Atom CA of residue 75
Atom CD of residue 49
Atom OE2 of residue 20
GLU
Atom O of residue 84
ASP
Atom CD1 of residue 53
Atom OE1 of residue 111
Atom C of residue 84
Atom C of residue 21
Atom CA of residue 9
Atom C of residue 111
GLU
Atom N of residue 21
Atom CG of residue 30
Atom N of residue 84
LYS
Atom CD of residue 154
Atom CB of residue 37
Atom CB of residue 83
Atom CZ of residue 13
Atom C of residue 83
ILE
Atom CE of residue 65
Atom CA of residue 78
Atom CA of residue 23
PRO
GLU
Atom O of residue 24
Atom N of residue 83
Atom CA of residue 30
Atom CA of residue 38
Atom O of residue 93
Atom CA of residue 2
GLY
Atom CA of residue 81
Atom CA of residue 79
Atom CA of residue 7
Atom N of residue 81
Atom CE of residue 59
Atom CB of residue 79
Atom CE1 of residue 58
Atom O of residue 20
Atom CA of residue 47
Atom CD1 of residue 16
Atom O of residue 79
Atom CG of residue 54
Atom NZ of residue 78
Atom O of residue 33
Atom CD of residue 78
Atom CA of residue 44
Atom C of residue 96
Atom CB of residue 78
Atom CG2 of residue 95
Atom C of residue 78
Atom CB of residue 68
Atom N of residue 50
Atom O of residue 78
Atom CA of residue 58
Atom CA of residue 150
ASN
ILE
Atom N of residue 78
Atom OD1 of residue 140
Atom CB of residue 77
Atom CA of residue 579
Atom C of residue 98
Atom CA of residue 137
PRO
ALA
Atom CB of residue 85
Atom CB of residue 47
Atom CB of residue 76
Atom CA of residue 124
Atom CE2 of residue 58
Atom CE2 of residue 144
Atom CA of residue 2645
LEU
Atom CA of residue 25
Atom ND1 of residue 75
Atom C of residue 59
Atom O of residue 89
Atom CA of residue 91
CYS
Atom CA of residue 75
HIS
Atom CA of residue 109
Atom CB of residue 5
Atom C of residue 91
Atom N of residue 75
Atom OE2 of residue 54
Atom OE2 of residue 93
GLY
Atom CB of residue 30
Atom CA of residue 80
Atom C of residue 152
Atom N of residue 52
Atom CB of residue 74
Atom C of residue 62
Atom N of residue 121
GLN
ASN
GLY
Atom CG of residue 145
Atom CG of residue 73
LEU
Atom CB of residue 145
Atom CA of residue 84
ARG
Atom C of residue 109
Atom N of residue 80
Atom O of residue 73
Atom N of residue 73
ALA
Atom O of residue 155
ALA
Atom CA of residue 43
Atom N of residue 72
Atom CB of residue 75
Atom CB of residue 12
TYR
Atom CB of residue 71
Atom CD2 of residue 97
Atom N of residue 71
Atom OE1 of residue 67
Atom CD2 of residue 16
SER
Atom NH1 of residue 70
Atom NE of residue 70
Atom CG of residue 62
GLU
GLU
Atom O of residue 149
Atom OG of residue 95
Atom CA of residue 120
Atom O of residue 76
LEU
Atom CG of residue 69
Atom CA of residue 90
Atom N of residue 23
Atom CB of residue 135
Atom CE2 of residue 22
Atom CA of residue 69
python stream
Atom C of residue 68
Atom CA of residue 110
Atom OD2 of residue 33
ARG
LEU
Atom N of residue 68
Atom OD1 of residue 100
Atom CB of residue 67
Atom CZ of residue 66
Atom CE2 of residue 66
Atom CE1 of residue 66
ASN
Atom CG of residue 66
Atom CZ of residue 134
Atom CA of residue 36
Atom O of residue 66
Atom CE of residue 59
Atom CA of residue 88
Atom C of residue 66
Atom CD1 of residue 112
Atom CD2 of residue 47
THR
Atom CB of residue 93
Atom CE1 of residue 87
Atom O of residue 20
Atom N of residue 10
LEU
Atom CE2 of residue 77
Atom CA of residue 65
Atom CD1 of residue 36
Atom N of residue 65
Atom CD2 of residue 64
Atom C of residue 25
Atom CA of residue 477
Atom CG of residue 64
Atom C of residue 43
Atom O of residue 49
Atom OE1 of residue 122
Atom O of residue 81
Atom CE1 of residue 20
Atom CB of residue 64
Atom O of residue 64
Atom C of residue 60
GLU
ALA
Atom CG2 of residue 87
ALA
Atom CA of residue 51
ALA
Atom CG of residue 63
Atom OD1 of residue 19
Atom CA of residue 483
Atom O of residue 63
Atom CB of residue 34
Atom O of residue 81
Atom CA of residue 63
Atom O of residue 69
Atom CG1 of residue 57
GLU
Atom CA of residue 2642
Atom N of residue 134
Atom CD2 of residue 62
Atom CA of residue 90
Atom CA of residue 57
Atom SG of residue 138
Atom CA of residue 24
Atom CA of residue 493
Atom CA of residue 62
PRO
Atom O of residue 30
rigid bodies list
Atom O of residue 30
Atom N of residue 62
Atom C of residue 30
Atom OG of residue 61
Atom CA of residue 563
Atom CB of residue 61
Atom CA of residue 73
Atom C of residue 23
Atom CA of residue 463
Atom NE1 of residue 103
ALA
SER
Atom CH2 of residue 16
Atom C of residue 84
Atom CG of residue 92
Atom CG of residue 67
Atom OH of residue 134
Atom O of residue 33
Atom N of residue 60
Atom CA of residue 12
Atom C of residue 73
Atom SD of residue 59
LYS
Atom CE1 of residue 36
Atom O of residue 59
Atom O of residue 142
Atom CA of residue 96
Atom CD of residue 29
Atom N of residue 59
Atom C of residue 13
Atom C of residue 96
Atom CG1 of residue 109
SER
Atom CG1 of residue 116
Atom CG of residue 58
Atom CB of residue 141
GLU
Atom O of residue 87
Atom CA of residue 110
Atom OH of residue 87
Atom NE2 of residue 92
Atom CG2 of residue 57
Atom O of residue 57
Atom N of residue 85
Atom CB of residue 57
Atom CA of residue 75
Atom CE of residue 45
Atom OE2 of residue 78
Atom C of residue 63
VAL
LYS
Atom CA of residue 556
Atom CG2 of residue 71
GLN
Atom O of residue 56
Atom C of residue 29
Atom CA of residue 115
Atom CA of residue 56
Atom C of residue 56
PRO
Atom CA of residue 29
Atom CA of residue 56
Atom C of residue 73
Atom CA of residue 458
Atom CD1 of residue 82
Atom NE2 of residue 29
Atom OE1 of residue 55
Atom CA of residue 42
Atom CD of residue 55
Atom CA of residue 73
Atom O of residue 25
Atom C of residue 55
Atom CA of residue 146
Atom CA of residue 55
GLN
Atom CA of residue 145
Atom CA of residue 115
Atom NH2 of residue 54
Atom CZ of residue 54
Atom CA of residue 88
Atom CB of residue 54
MET
Atom O of residue 54
Atom C of residue 54
Atom CA of residue 85
Atom O of residue 156
ARG
Atom CA of residue 108
Atom N of residue 54
Atom OE1 of residue 53
Atom CB of residue 65
Atom N of residue 48
Atom CG of residue 53
Atom CD of residue 118
Atom CB of residue 53
Atom CA of residue 91
Atom CG of residue 64
Atom C of residue 53
Atom CA of residue 53
Atom CD of residue 69
Atom CA of residue 79
Atom N of residue 73
VAL
Atom N of residue 53
Atom CB of residue 32
Atom SG of residue 52
Atom CA of residue 23
Atom CB of residue 52
Atom N of residue 120
Atom CD1 of residue 22
Atom O of residue 52
Atom N of residue 58
LYS
Atom CA of residue 439
Atom O of residue 150
Atom CA of residue 52
Atom N of residue 38
Atom CA of residue 465
Atom N of residue 144
CYS
Atom CG of residue 92
Atom OH of residue 51
ASN
Atom OE2 of residue 33
ASP
Atom CD1 of residue 51
Atom NE of residue 8
PRO
Atom O of residue 61
Atom CG of residue 100
Atom C of residue 127
Atom CB of residue 143
Atom NE2 of residue 75
Atom O of residue 51
Atom N of residue 51
Atom CA of residue 18
Atom OG of residue 50
LEU
Atom CB of residue 50
Atom CA of residue 103
Atom CD2 of residue 91
Atom CG of residue 85
Atom CA of residue 550
Atom C of residue 50
SER
Atom NZ of residue 110
Atom CD of residue 20
Atom OE2 of residue 49
Atom CB of residue 21
Atom CG of residue 49
PHE
Atom CB of residue 49
Atom CA of residue 76
Atom CA of residue 49
Atom C of residue 60
Atom O of residue 74
Atom CE of residue 48
Atom CB of residue 118
Atom CA of residue 18
Atom CG of residue 48
Atom CD of residue 78
Atom CG of residue 144
Atom CB of residue 24
Atom CG of residue 29
Atom O of residue 47
Atom C of residue 47
PRO
Atom O of residue 128
Atom CD of residue 101
Atom CZ of residue 91
Atom CB of residue 20
LEU
Atom CA of residue 444
Atom CA of residue 144
Atom CA of residue 436
Atom CZ of residue 68
Atom N of residue 47
LYS
Atom CA of residue 146
Atom N of residue 46
Atom CD of residue 153
Atom CG of residue 45
Atom CA of residue 490
Atom CB of residue 45
ALA
Atom C of residue 45
Atom CA of residue 45
Atom O of residue 85
LYS
Atom N of residue 67
LYS
Atom CA of residue 51
Atom CG of residue 140
Atom OD1 of residue 74
Atom N of residue 45
Atom CG2 of residue 109
LEU
Atom CG2 of residue 27
Atom C of residue 141
Atom OD2 of residue 73
Atom CD2 of residue 44
Atom CB of residue 48
Atom CG of residue 44
Atom CD of residue 93
Atom NH1 of residue 61
ALA
Atom CB of residue 44
PRO
Atom CA of residue 44
LEU
Atom CG of residue 121
Atom CA of residue 574
Atom CD1 of residue 94
Atom CB of residue 121
Atom N of residue 44
ALA
Atom O of residue 96
Atom C of residue 88
GLY
Atom CD2 of residue 43
Atom C of residue 34
Atom CA of residue 536
Atom CA of residue 93
Atom OG of residue 31
Atom N of residue 70
Atom CA of residue 42
Atom CA of residue 529
Atom O of residue 62
Atom C of residue 126
Atom CG2 of residue 41
Atom N of residue 13
Atom NZ of residue 76
Atom OG1 of residue 41
Atom CA of residue 19
MET
ILE
Atom N of residue 104
Atom CA of residue 41
Atom C of residue 26
Atom CA of residue 2675
Atom CE of residue 40
Atom CB of residue 4
Atom CA of residue 57
Atom CA of residue 60
Atom N of residue 117
Atom CD2 of residue 24
Atom NH1 of residue 104
Atom O of residue 126
Atom CD of residue 99
Atom N of residue 40
Atom CA of residue 94
Atom CD2 of residue 22
Atom NZ of residue 39
Atom CA of residue 74
Atom O of residue 48
Atom CE of residue 39
Atom C of residue 39
Atom CA of residue 71
Atom N of residue 39
Atom CB of residue 98
THR
Atom CE of residue 37
TYR
Atom CG of residue 37
GLU
Atom C of residue 100
Atom OE1 of residue 89
Atom O of residue 37
ALA
ARG
Atom C of residue 68
Atom C of residue 37
ASP
Atom CB of residue 128
Atom N of residue 37
Atom CB of residue 62
Atom CD1 of residue 60
Atom CD2 of residue 36
Atom CB of residue 44
Atom N of residue 76
Atom CG of residue 36
Atom O of residue 36
PRO
Atom N of residue 7
Atom O of residue 102
Atom C of residue 36
P2128
Atom CB of residue 13
Atom C of residue 30
Atom CA of residue 46
Atom CD of residue 46
LYS
PHE
MET
Atom CG1 of residue 92
LYS
Atom CA of residue 38
Atom CZ of residue 61
Atom N of residue 36
Atom CD of residue 132
Atom CA of residue 565
PHE
Atom CE1 of residue 35
PRO
ILE
Atom ND1 of residue 35
Atom O of residue 35
Atom CD2 of residue 16
PHE
Atom CD of residue 63
Atom C of residue 35
Atom CD2 of residue 103
Atom CA of residue 68
Atom CA of residue 96
Atom CA of residue 504
Atom CB of residue 109
GLN
Atom CE of residue 23
Atom CG of residue 33
Atom CG of residue 151
Atom CA of residue 578
GLU
Atom CA of residue 53
Atom CA of residue 49
Atom C of residue 95
Atom CA of residue 569
Atom CB of residue 33
Atom CA of residue 33
GLN
Atom CE of residue 59
Atom N of residue 33
Atom CA of residue 121
Atom CB of residue 64
Atom CB of residue 31
Atom CA of residue 31
LEU
Atom CA of residue 27
Atom CG2 of residue 76
Atom O of residue 146
Atom CA of residue 92
Atom CA of residue 157
Atom CA of residue 79
ASP
Atom OD2 of residue 30
Atom CA of residue 140
Atom N of residue 52
Atom CD1 of residue 57
Atom CA of residue 28
Atom N of residue 96
Atom CB of residue 55
Atom CD2 of residue 87
GLY
ILE
Atom N of residue 69
Atom O of residue 152
Atom CB of residue 5
Atom CA of residue 26
LYS
Atom N of residue 4
Atom C of residue 25
Atom CG2 of residue 135
LYS
Atom CA of residue 480
Atom O of residue 157
VAL
Atom OD2 of residue 67
Atom CD1 of residue 24
Atom CA of residue 156
Atom CD1 of residue 120
Atom OG of residue 71
Atom CG1 of residue 34
GLY
Atom C of residue 24
Atom CA of residue 24
Atom C of residue 78
Atom CG of residue 23
Atom CD1 of residue 21
Atom N of residue 55
Atom CD1 of residue 94
Atom CB of residue 23
Atom CB of residue 88
Atom CA of residue 94
Atom N of residue 92
Atom N of residue 23
Atom OE2 of residue 89
Atom N of residue 74
Atom CG1 of residue 22
ASP
Atom CB of residue 22
Atom N of residue 63
VAL
Atom C of residue 40
Atom O of residue 82
Atom C of residue 22
GLY
ALA
Atom OE1 of residue 84
Atom CA of residue 571
Atom N of residue 83
ILE
Atom CG2 of residue 22
Atom OE1 of residue 145
TYR
Atom CG1 of residue 92
Atom NZ of residue 23
LYS
Atom C of residue 38
Atom CG2 of residue 112
Atom C of residue 82
Atom OE1 of residue 49
Atom ND1 of residue 43
Atom CG of residue 20
Atom OE2 of residue 122
Atom CB of residue 59
Atom CB of residue 27
Atom CB of residue 79
Atom CD of residue 117
Atom CD of residue 25
Atom CA of residue 74
Atom C of residue 20
Atom CA of residue 80
THR
Atom C of residue 75
Atom CG of residue 25
Atom CD1 of residue 62
Atom CA of residue 20
Atom CG of residue 72
GLU
Atom O of residue 43
Atom CG of residue 70
Atom CB of residue 73
Atom CA of residue 571
1z5s_B.pdb
Atom N of residue 20
GLU
Atom CA of residue 135
Atom CD of residue 157
Atom CE3 of residue 16
GLN
Atom N of residue 43
Atom CD2 of residue 6
Atom CG of residue 157
Atom CG2 of residue 116
GLU
Atom CB of residue 157
LEU
Atom N of residue 115
Atom C of residue 157
Atom CB of residue 44
Atom O of residue 33
Atom N of residue 106
Atom C of residue 110
PRO
Atom C of residue 156
Atom N of residue 116
Atom CA of residue 70
Atom CA of residue 156
Atom CA of residue 65
PHE
Atom N of residue 156
Atom O of residue 15
Atom CA of residue 98
Atom CE1 of residue 155
LYS
Atom CB of residue 155
Atom O of residue 140
Atom OE1 of residue 33
Atom C of residue 102
Atom CE2 of residue 24
Atom CA of residue 2648
Atom CZ of residue 144
Atom CA of residue 66
Atom C of residue 79
Atom CG1 of residue 27
LEU
Atom O of residue 26
ASP
ASP
Atom CA of residue 132
MET
Atom CB of residue 41
PHE
Atom CD of residue 154
GLU
Atom CB of residue 149
Atom CG of residue 154
Atom CE1 of residue 43
Atom O of residue 72
Atom CA of residue 154
Atom NZ of residue 153
Atom N of residue 86
Atom CB of residue 45
Atom CE of residue 153
Atom CE2 of residue 87
Atom CA of residue 21
Atom CG of residue 24
Atom C of residue 27
Atom N of residue 46
Atom O of residue 115
Atom CA of residue 27
Atom CD of residue 153
Atom N of residue 40
Atom O of residue 153
Atom ND2 of residue 74
Atom C of residue 153
Atom CB of residue 152
Atom CG of residue 74
Atom O of residue 152
Atom CA of residue 55
ALA
LEU
Atom CB of residue 66
SER
ILE
Atom NE2 of residue 151
Atom OE1 of residue 151
Atom ND2 of residue 85
Atom N of residue 82
Atom O of residue 28
Atom CD of residue 151
Atom OE1 of residue 93
Atom O of residue 32
Atom CG of residue 151
Atom CA of residue 568
ILE
Atom O of residue 121
HIS
MET
Atom CD1 of residue 34
Atom CA of residue 137
THR
Atom C of residue 98
Atom O of residue 43
Atom O of residue 38
LYS
Atom C of residue 151
Atom CA of residue 101
GLN
Atom CG of residue 13
ALA
Atom O of residue 58
Atom CA of residue 567
Atom NH2 of residue 149
Atom CA of residue 34
ASP
Atom CZ of residue 149
Atom NE of residue 149
HIS
Atom OE1 of residue 132
Atom CB of residue 148
Atom NH2 of residue 61
Atom CB of residue 57
ARG
Atom CG of residue 82
TYR
SER
Atom CA of residue 148
Atom NH2 of residue 147
Atom CB of residue 125
Atom NE of residue 147
Atom CB of residue 86
Atom CA of residue 147
Atom N of residue 55
GLU
Atom N of residue 29
Atom CA of residue 94
PHE
GLU
Atom O of residue 70
Atom C of residue 141
Atom CG of residue 146
Atom CD1 of residue 66
Atom O of residue 56
Atom CB of residue 146
Atom C of residue 146
GLU
Atom CA of residue 146
MET
Atom C of residue 150
Atom CB of residue 94
Atom CE2 of residue 103
ILE
Atom CD of residue 145
Atom N of residue 137
Atom O of residue 145
PHE
Atom CE1 of residue 68
Atom CA of residue 78
Atom CB of residue 49
Atom N of residue 145
Atom CB of residue 66
Atom CA of residue 532
ALA
Atom CE1 of residue 144
Atom CA of residue 526
SER
Atom CD2 of residue 144
Atom CG of residue 146
Atom CA of residue 513
THR
Atom CG1 of residue 88
LYS
LYS
Atom CZ of residue 58
Atom OE1 of residue 145
Atom CB of residue 144
PRO
Atom O of residue 144
Atom N of residue 35
TYR
Atom N of residue 27
Atom CG of residue 21
Atom CA of residue 42
Atom CA of residue 73
LEU
THR
Atom C of residue 19
Atom CD2 of residue 35
Atom N of residue 25
SER
Atom CB of residue 157
Atom CB of residue 143
VAL
VAL
Atom C of residue 42
Atom O of residue 143
Atom CA of residue 35
Atom C of residue 143
GLU
Atom CB of residue 38
Atom N of residue 143
Atom CG2 of residue 142
Atom OD1 of residue 60
Atom CA of residue 142
Atom C of residue 59
Atom CA of residue 59
Atom C of residue 86
Atom CA of residue 122
Atom N of residue 63
Atom NH1 of residue 141
Atom C of residue 51
Atom C of residue 149
Atom N of residue 32
Atom NE of residue 141
Atom CA of residue 2
Atom CB of residue 114
Atom CD1 of residue 64
Atom CD of residue 61
Atom CA of residue 146
Atom CA of residue 141
ALA
LEU
ARG
Atom CG1 of residue 38
Atom O of residue 148
LYS
ARG
Atom CD1 of residue 38
Atom O of residue 106
Atom CD of residue 84
Atom CB of residue 88
Atom N of residue 141
Atom CB of residue 140
Atom CG of residue 87
Atom CG of residue 139
Atom N of residue 109
Atom CB of residue 139
Atom O of residue 139
Atom CA of residue 90
Atom N of residue 22
Atom C of residue 139
Atom CG2 of residue 57
Atom CA of residue 21
Atom CA of residue 6
SER
Atom C of residue 97
Atom CE1 of residue 51
Atom CE of residue 78
Atom CA of residue 139
Atom CA of residue 71
MET
Atom CA of residue 84
Atom O of residue 138
LEU
CYS
HIS
Atom N of residue 138
Atom NE2 of residue 11
Atom CG of residue 20
Atom CA of residue 126
Atom CG of residue 86
Atom CE2 of residue 137
ASN
Atom CB of residue 88
Atom N of residue 83
Atom CE1 of residue 137
PRO
Atom CD2 of residue 137
Atom CB of residue 137
Atom CE1 of residue 20
THR
Atom C of residue 67
Atom O of residue 137
Atom CA of residue 60
ALA
Atom CA of residue 31
Atom CG2 of residue 136
Atom O of residue 136
THR
GLU
Atom C of residue 136
Atom CB of residue 40
ASN
Atom OG1 of residue 135
SER
Atom C of residue 135
Atom C of residue 24
Atom N of residue 135
Atom CE of residue 23
ASN
Atom CG of residue 134
Atom CA of residue 2666
Atom CB of residue 134
Atom CD of residue 74
Atom CA of residue 16
Atom C of residue 134
Atom CA of residue 109
Atom N of residue 61
Atom CA of residue 134
ALA
Atom CA of residue 39
THR
Atom CA of residue 557
Atom CD of residue 132
Atom CA of residue 559
Atom CA of residue 116
Atom CB of residue 132
Atom O of residue 132
Atom CG1 of residue 87
Atom CA of residue 132
GLU
Atom CA of residue 95
Atom CA of residue 65
LEU
Atom CA of residue 139
Atom N of residue 136
Atom O of residue 131
Atom OD1 of residue 73
Atom CA of residue 131
Atom CA of residue 555
Atom CA of residue 112
Atom O of residue 97
Atom CZ of residue 63
Atom C of residue 131
Atom OD2 of residue 86
Atom CG of residue 103
Atom OE1 of residue 130
Atom O of residue 130
Atom CA of residue 130
ILE
Atom C of residue 43
Atom C of residue 140
GLN
Atom CA of residue 114
normalize rigid bodies
VAL
Atom CD of residue 128
PRO
GLU
SER
ARG
Atom CE2 of residue 68
Atom CA of residue 79
Atom CA of residue 128
LYS
Atom OD1 of residue 127
Atom OD2 of residue 100
Atom CB of residue 127
Atom CG of residue 130
Atom O of residue 87
Atom NE2 of residue 126
ALA
Atom CG2 of residue 26
Atom OD2 of residue 86
Atom CG of residue 149
Atom CD1 of residue 125
Atom CG2 of residue 125
Atom O of residue 125
Atom CB of residue 110
Atom O of residue 34
Atom CA of residue 22
Atom CA of residue 66
Atom CA of residue 88
Atom C of residue 125
Atom N of residue 66
Atom N of residue 94
Atom CA of residue 125
Atom CD of residue 59
Atom CA of residue 85
Atom CA of residue 87
Atom CD of residue 70
HIS
Atom CE of residue 153
Atom C of residue 80
Atom CA of residue 72
Atom CB of residue 123
LYS
Atom C of residue 107
Atom CB of residue 79
Atom N of residue 25
Atom CG1 of residue 96
Atom N of residue 123
PRO
Atom CA of residue 116
Atom CA of residue 118
Atom CD of residue 122
Atom O of residue 122
Atom CA of residue 63
Atom N of residue 41
Atom O of residue 68
Atom CA of residue 109
Atom N of residue 128
Atom CE1 of residue 83
CYS
Atom C of residue 39
Atom CD2 of residue 119
Atom CG of residue 105
PRO
GLU
Atom CD1 of residue 6
Atom CA of residue 9
Atom CG2 of residue 29
LEU
Atom CE1 of residue 36
Atom N of residue 119
Atom O of residue 60
THR
ALA
Atom CA of residue 144
Atom CD of residue 39
Atom CD of residue 147
Atom CB of residue 65
GLU
Atom CG of residue 37
Atom N of residue 98
Atom CA of residue 2675
Atom CA of residue 149
Atom C of residue 118
Atom ND2 of residue 60
Atom CA of residue 60
ALA
Atom O of residue 90
Atom O of residue 82
PHE
Atom CG of residue 114
Atom O of residue 47
Atom CA of residue 122
Atom CA of residue 73
Atom CB of residue 27
LEU
TRP
Atom C of residue 130
ILE
GLY
Atom CA of residue 55
ILE
CoreCloseBipartitePairContainer
Atom OE1 of residue 11
Atom CG of residue 113
Atom O of residue 85
Atom C of residue 113
VAL
Atom CA of residue 57
LEU
Atom C of residue 122
GLN
Atom CA of residue 62
Atom CD2 of residue 120
TYR
Model 28
Atom CG1 of residue 112
Atom CB of residue 93
Atom SD of residue 39
UpdateRigidBodyMembers9
Atom CB of residue 112
Atom O of residue 54
Atom CB of residue 93
PRO
Atom CA of residue 112
Atom O of residue 68
Atom CB of residue 89
Atom CG of residue 111
Atom C of residue 149
Atom NZ of residue 110
Atom CA of residue 69
VAL
Atom CA of residue 12
Atom CG of residue 83
ASP
Atom CG1 of residue 109
Atom CB of residue 86
ILE
Atom CA of residue 547
Atom CA of residue 104
Atom CG of residue 19
Atom CA of residue 34
Atom O of residue 17
Atom NZ of residue 37
Atom O of residue 53
Atom C of residue 72
Atom CD1 of residue 107
Atom O of residue 147
Atom N of residue 56
TYR
Atom CB of residue 107
Atom N of residue 107
Atom CA of residue 106
Atom CG of residue 127
ALA
TYR
Atom O of residue 105
Atom CA of residue 62
Atom CA of residue 105
Atom CA of residue 136
Atom C of residue 43
LYS
Atom O of residue 98
Atom O of residue 119
ASP
Atom CB of residue 149
LYS
ASP
Atom CA of residue 51
Atom OE1 of residue 126
Atom CD of residue 111
PRO
Atom OE2 of residue 132
Atom NE of residue 104
Atom C of residue 95
Atom CG of residue 104
LEU
Atom OE2 of residue 33
ARG
Atom C of residue 87
Atom CE3 of residue 103
Atom O of residue 84
Atom O of residue 34
Atom CE2 of residue 103
Atom CD1 of residue 103
GLU
Atom CA of residue 16
PHE
PRO
Atom CD1 of residue 21
Atom C of residue 103
PRO
Atom CA of residue 103
Atom C of residue 39
Atom CB of residue 99
Atom CA of residue 126
Atom OD1 of residue 102
Atom CD of residue 79
Atom N of residue 102
Atom CE2 of residue 21
Atom CA of residue 35
Atom CA of residue 45
ASP
GLU
Atom N of residue 19
Atom O of residue 100
Atom CA of residue 11
LEU
Atom CD1 of residue 88
Atom CA of residue 24
Atom C of residue 123
Atom CA of residue 450
VAL
Atom CA of residue 124
Atom C of residue 75
Atom CA of residue 100
Atom OE2 of residue 99
Atom O of residue 87
CYS
Atom CG of residue 33
Atom C of residue 64
Atom CB of residue 22
Atom CZ of residue 24
LYS
Atom C of residue 6
Atom CD2 of residue 63
Atom CA of residue 81
Atom NE of residue 13
Atom CB of residue 122
GLU
Atom CE of residue 25
Atom N of residue 45
Atom CB of residue 61
LYS
Atom CA of residue 22
Atom CB of residue 24
1z5s_A.pdb
THR
Atom C of residue 144
Atom CA of residue 83
GLU
LYS
ASN
LEU
Atom CG of residue 48
Atom CA of residue 40
Atom CD1 of residue 137
Atom CA of residue 77
Atom CB of residue 41
Atom N of residue 99
Atom NH2 of residue 70
Atom N of residue 62
Atom C of residue 63
VAL
Atom CZ of residue 70
Atom N of residue 122
ALA
Atom OE2 of residue 98
Atom CA of residue 457
Atom N of residue 131
Atom CD2 of residue 81
Atom N of residue 44
Atom OE1 of residue 98
Atom O of residue 65
Atom C of residue 37
PRO
PRO
Atom CD2 of residue 120
Atom CB of residue 43
Atom NZ of residue 146
Atom ND1 of residue 75
Atom C of residue 90
Atom C of residue 68
Atom CA of residue 2637
Atom CB of residue 20
Atom C of residue 102
Atom CA of residue 96
Atom CA of residue 72
Atom CD1 of residue 27
Atom N of residue 3
Atom N of residue 52
LYS
Atom NE2 of residue 53
Atom CD1 of residue 91
Atom N of residue 89
Atom CA of residue 556
Atom CA of residue 113
Atom CE1 of residue 35
Atom CA of residue 442
Atom CA of residue 142
Atom CA of residue 434
Atom O of residue 43
PRO
Atom CB of residue 98
ASP
Atom CE1 of residue 77
Atom C of residue 81
Atom CA of residue 542
VAL
PRO
GLN
Atom CA of residue 74
Atom CG of residue 155
LEU
Atom CG of residue 120
Atom CB of residue 26
Atom CA of residue 156
ASN
Atom C of residue 66
GLU
Atom CA of residue 40
Atom CG of residue 97
Atom CG2 of residue 76
Atom CA of residue 478
Atom O of residue 120
Atom CA of residue 43
Atom O of residue 97
ILE
Atom CA of residue 97
Chain A
Atom C of residue 106
Atom CA of residue 89
Atom N of residue 80
LEU
Atom OG1 of residue 95
Atom CA of residue 48
Atom CA of residue 24
Atom CB of residue 92
Atom CG of residue 119
Atom CA of residue 38
Atom CB of residue 100
GLU
Atom NH1 of residue 149
Atom N of residue 13
Atom CZ2 of residue 41
Atom CD of residue 141
Atom CG of residue 63
Atom N of residue 85
Atom CE3 of residue 41
Chain C
Atom CB of residue 96
Atom N of residue 79
PRO
Atom CB of residue 84
Atom CG of residue 60
Atom CB of residue 91
Atom OE1 of residue 118
Atom ND2 of residue 31
Atom CE1 of residue 21
Atom O of residue 73
Atom CB of residue 95
Atom C of residue 50
Atom N of residue 100
Atom CD of residue 126
LEU
Atom CA of residue 110
GLY
Atom O of residue 30
Atom N of residue 103
MET
Atom NH2 of residue 63
THR
Atom O of residue 40
Atom CA of residue 526
Atom CD2 of residue 94
Atom OD1 of residue 73
TYR
Atom CA of residue 118
PRO
Atom CB of residue 116
Atom CA of residue 140
LYS
Atom CA of residue 502
Atom C of residue 94
Atom O of residue 90
Atom CA of residue 27
GLY
Atom CA of residue 94
Atom N of residue 107
LYS
Atom CA of residue 100
Atom CA of residue 88
GLN
Atom CB of residue 82
Atom CG2 of residue 22
Atom N of residue 94
Atom NH2 of residue 8
Atom CA of residue 68
Atom CB of residue 39
Atom C of residue 93
Atom C of residue 117
Atom C of residue 32
GLN
Atom CG of residue 69
Atom CA of residue 7
Atom CG1 of residue 57
Atom N of residue 32
Atom CA of residue 32
Atom N of residue 20
GLU
Atom CG2 of residue 92
Atom O of residue 48
Atom CA of residue 138
HIS
LEU
Atom CA of residue 12
Atom O of residue 92
Atom CA of residue 22
Atom CA of residue 2683
Atom CD of residue 14
Atom CE1 of residue 58
Atom C of residue 89
Atom N of residue 70
SER
GLU
VAL
Atom CE2 of residue 68
Atom CA of residue 116
Atom CA of residue 474
Atom CG of residue 75
Atom CG2 of residue 91
LYS
GLY
Atom CA of residue 120
Atom CA of residue 21
THR
Atom CB of residue 39
Atom CA of residue 99
Atom CG2 of residue 4
Atom N of residue 146
Atom N of residue 91
Atom C of residue 2
Atom O of residue 90
Atom CD2 of residue 103
Atom CA of residue 73
Atom OE1 of residue 126
Atom CB of residue 119
Atom C of residue 79
Atom CD of residue 12
ASP
Atom C of residue 131
Atom NE2 of residue 117
GLY
Atom O of residue 114
Atom CA of residue 9
Atom C of residue 74
GLY
Atom N of residue 90
Atom CE2 of residue 77
Atom CB of residue 36
ASN
Atom O of residue 26
Atom CE2 of residue 155
Atom N of residue 105
Atom OE1 of residue 132
Atom CG of residue 88
Atom CA of residue 98
Atom CA of residue 42
LEU
ASP
Atom CD1 of residue 77
Atom C of residue 55
VAL
Atom CA of residue 13
Atom CG of residue 11
Atom CZ of residue 36
Atom CA of residue 11
Atom CB of residue 35
ILE
Atom CA of residue 76
Atom CA of residue 117
Atom O of residue 88
GLU
Atom CG of residue 117
Atom CA of residue 62
PRO
Atom CB of residue 11
Atom CD1 of residue 112
ASP
Atom CA of residue 68
Atom CD1 of residue 27
GLU
Atom N of residue 9
Atom CA of residue 108
Atom O of residue 29
Atom O of residue 77
Atom NZ of residue 154
Atom O of residue 119
Atom CD of residue 143
Atom CA of residue 8
Atom CB of residue 87
Atom C of residue 53
Atom CA of residue 457
Atom CA of residue 465
Atom CA of residue 33
Atom CD1 of residue 114
Atom N of residue 87
ARG
Atom C of residue 70
Atom CA of residue 102
ILE
Atom CG1 of residue 86
Atom O of residue 86
Atom CA of residue 130
VAL
LYS
Atom CE1 of residue 77
Atom CG of residue 31
Atom CA of residue 105
Atom CA of residue 2
Atom CB of residue 140
Atom CD of residue 69
Atom CB of residue 31
Atom O of residue 31
Atom CA of residue 85
Atom OE1 of residue 29
LYS
Atom CA of residue 109
Atom NZ of residue 30
Atom CA of residue 71
Atom CG2 of residue 26
Atom CG2 of residue 90
Atom CD1 of residue 125
PRO
Atom CE of residue 30
Atom C of residue 84
Atom N of residue 47
Atom CA of residue 101
LEU
Atom NE2 of residue 83
Atom CA of residue 109
LYS
Atom SD of residue 62
Atom ND1 of residue 83
Atom CB of residue 83
Atom CB of residue 134
Atom CD of residue 63
Atom CA of residue 58
PHE
Atom CG1 of residue 107
UpdateRigidBodyMembers11
Atom O of residue 29
/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
LYS
GLN
Atom CA of residue 83
Atom O of residue 94
Atom CG1 of residue 136
ASP
Atom CG of residue 82
UpdateRigidBodyMembers2
Atom CG1 of residue 26
Atom N of residue 157
MET
Atom CA of residue 517
PHE
LYS
Atom CA of residue 8
Atom O of residue 42
Atom CB of residue 156
Atom C of residue 124
Atom N of residue 82
Atom CA of residue 552
GLY
Atom CA of residue 26
ASN
Atom C of residue 27
Atom CG of residue 81
Atom CB of residue 81
Atom CA of residue 43
ASN
Atom N of residue 43
Atom CB of residue 40
PRO
Atom CA of residue 489
Atom CA of residue 433
Atom CG2 of residue 108
Atom CA of residue 81
Atom OD2 of residue 19
GLU
Atom CG of residue 21
Atom CA of residue 97
GLU
LEU
Atom O of residue 21
Atom CD of residue 80
rigid bodies list
THR
Atom N of residue 88
THR
Atom CB of residue 80
Atom CB of residue 10
Model 1
Atom CG2 of residue 4
Atom CA of residue 80
Atom CA of residue 35
Atom CA of residue 2678
Atom CA of residue 152
PRO
Atom O of residue 79
Atom NZ of residue 48
Atom CB of residue 16
Atom OE1 of residue 78
Atom CA of residue 2659
GLY
Atom CB of residue 88
Atom C of residue 50
Atom C of residue 105
Atom CA of residue 111
Atom C of residue 143
Atom CA of residue 37
Atom N of residue 2
Atom CG of residue 78
VAL
Atom OE2 of residue 118
Atom CA of residue 7
Atom CA of residue 69
PHE
Atom CB of residue 92
Atom CB of residue 78
Atom CA of residue 37
GLN
Atom CD of residue 42
TYR
Atom C of residue 78
Atom CB of residue 69
Atom CA of residue 78
Atom N of residue 78
Atom O of residue 27
Atom O of residue 107
Atom CA of residue 2634
Atom OD1 of residue 31
Atom CB of residue 85
Atom O of residue 18
Atom CA of residue 118
Atom C of residue 65
Atom OE2 of residue 42
Atom CD1 of residue 65
Atom CD of residue 149
Atom CA of residue 124
Atom ND2 of residue 124
Atom N of residue 43
Atom C of residue 77
Atom N of residue 155
Atom O of residue 109
Atom C of residue 81
Atom SG of residue 93
Atom CA of residue 453
Atom CA of residue 445
Atom C of residue 129
PHE
Atom CB of residue 146
Atom CA of residue 40
Atom O of residue 41
Atom N of residue 76
Atom CB of residue 110
Atom OG1 of residue 41
SER
Atom CZ of residue 64
Atom CA of residue 83
P2114
Atom CG of residue 39
Atom O of residue 93
Atom CA of residue 154
Atom C of residue 71
Atom CZ2 of residue 53
LYS
Atom CG of residue 73
Atom CA of residue 10
Atom CG of residue 84
Atom CG of residue 53
Atom CA of residue 91
Atom N of residue 81
Atom CD of residue 72
Atom O of residue 11
Atom CB of residue 72
Atom OE2 of residue 143
PRO
Atom N of residue 72
Atom NH2 of residue 141
Atom CB of residue 71
ILE
Atom O of residue 41
Atom CA of residue 108
Atom CG of residue 24
ARG
Atom O of residue 71
Atom CD2 of residue 60
Atom C of residue 48
Atom CG of residue 122
TRP
SER
ASP
Atom NZ of residue 46
Atom CB of residue 59
Atom CA of residue 510
Atom O of residue 70
LYS
Atom CD of residue 12
Atom CA of residue 75
Atom CA of residue 94
Atom CG of residue 123
Atom C of residue 94
Atom CA of residue 74
Atom NZ of residue 74
Atom CE of residue 62
ARG
ALA
Atom N of residue 78
Atom CA of residue 459
Atom O of residue 80
Atom CB of residue 102
Atom O of residue 129
Atom CA of residue 483
Atom CD of residue 69
Atom CA of residue 56
GLN
Atom C of residue 140
Atom OG1 of residue 76
Atom C of residue 69
Atom CA of residue 69
GLU
Atom N of residue 49
Atom CA of residue 97
Atom CB of residue 58
LYS
Atom CA of residue 54
Atom CD of residue 93
GLU
VAL
Atom CD2 of residue 38
Atom CD2 of residue 68
Atom CB of residue 41
Atom N of residue 147
Atom N of residue 151
GLY
Atom CA of residue 122
Atom N of residue 68
Atom OD1 of residue 67
Atom CB of residue 67
Atom NE2 of residue 53
Atom C of residue 67
Atom CB of residue 90
VAL
LEU
Atom CA of residue 81
Atom CA of residue 67
Atom N of residue 67
Atom N of residue 10
Atom O of residue 36
ARG
Atom CA of residue 24
Atom CA of residue 99
Atom OD2 of residue 66
Atom NZ of residue 45
Atom O of residue 66
Atom CG1 of residue 90
Atom C of residue 66
Atom CB of residue 65
Atom CA of residue 120
Atom CA of residue 61
Atom N of residue 36
Atom N of residue 65
Atom C of residue 21
Atom CE1 of residue 64
Atom N of residue 59
Atom CG2 of residue 96
Atom CA of residue 61
ASN
Atom CA of residue 107
Atom N of residue 8
Atom N of residue 150
Atom OG1 of residue 51
GLU
Atom N of residue 48
Atom CA of residue 155
Atom C of residue 142
Atom O of residue 64
Atom N of residue 64
Atom CD1 of residue 63
AccumulateRigidBodyDerivatives0
Atom N of residue 26
Atom CD1 of residue 81
Atom CA of residue 2633
Atom C of residue 89
Atom N of residue 63
Atom CA of residue 152
Atom CA of residue 119
Atom CB of residue 63
Atom CB of residue 76
GLN
ASN
Atom CA of residue 82
Atom O of residue 62
Atom CA of residue 57
Atom CD of residue 23
ILE
Atom CG of residue 67
Atom CD of residue 37
GLN
ILE
Atom CA of residue 153
Atom CA of residue 93
Atom OE1 of residue 92
Atom CA of residue 96
Atom CB of residue 29
Atom N of residue 57
Atom CD of residue 48
PHE
Atom CA of residue 151
Atom O of residue 73
Atom C of residue 55
Atom CA of residue 73
Atom CG of residue 46
Atom C of residue 9
Atom NE of residue 61
VAL
Atom CG of residue 61
Atom O of residue 61
Atom N of residue 61
GLN
Atom CD of residue 78
Atom CA of residue 54
CYS
ALA
Atom OE1 of residue 79
ASP
Atom CB of residue 60
Atom CG of residue 39
Atom CA of residue 456
Atom NZ of residue 59
TRP
PHE
Atom CA of residue 114
Atom C of residue 22
Atom CB of residue 59
Atom CA of residue 133
Atom CG of residue 68
Atom O of residue 45
Atom N of residue 57
ILE
PRO
Atom CA of residue 56
Atom O of residue 27
Atom O of residue 55
Atom OD1 of residue 124
ASP
Atom NH1 of residue 147
GLY
Atom CA of residue 70
Atom OE1 of residue 54
Atom O of residue 7
Atom C of residue 38
Atom C of residue 54
GLU
Atom CZ3 of residue 53
THR
Atom CA of residue 62
ALA
Atom CG1 of residue 4
Atom CD of residue 53
Atom NE1 of residue 53
Atom C of residue 147
ILE
ASN
Atom CB of residue 53
Atom CD2 of residue 75
Atom CA of residue 49
Atom OE2 of residue 79
GLN
Atom CA of residue 53
Atom CD1 of residue 47
Atom OD1 of residue 67
SER
Atom N of residue 52
Atom CG2 of residue 51
Atom OG1 of residue 51
GLY
Atom NH1 of residue 13
Atom CB of residue 51
Atom CA of residue 73
Atom O of residue 51
Atom CE of residue 40
LEU
Atom C of residue 51
Atom N of residue 51
Atom CA of residue 82
Atom CA of residue 89
Atom OG of residue 70
Atom CA of residue 23
Atom CA of residue 50
Atom CA of residue 19
Atom CA of residue 48
SER
Atom C of residue 49
Atom CA of residue 51
VAL
Atom C of residue 2
Atom CA of residue 49
Atom CA of residue 31
Atom CB of residue 52
LYS
Atom O of residue 113
Atom N of residue 49
Atom CA of residue 76
PRO
Atom C of residue 59
Atom CA of residue 61
ASP
Atom C of residue 137
Atom N of residue 48
Atom CA of residue 117
Atom OE2 of residue 143
Atom CA of residue 35
Atom O of residue 78
ASP
Atom CA of residue 31
Atom O of residue 103
ASN
Atom N of residue 56
Atom C of residue 47
ARG
Atom C of residue 17
Atom CG of residue 59
Atom C of residue 48
LYS
Atom CA of residue 55
Atom CA of residue 34
MET
Atom CB of residue 136
Atom C of residue 92
Atom CB of residue 86
Atom O of residue 104
Atom O of residue 83
GLN
CYS
Atom CB of residue 52
Atom CD of residue 48
Atom CD of residue 46
Atom C of residue 128
Atom CA of residue 536
MET
Atom CB of residue 46
Atom CA of residue 5
PRO
Atom C of residue 57
Atom CA of residue 88
Atom CB of residue 51
Atom CD1 of residue 45
Atom CA of residue 66
Atom CG1 of residue 45
ALA
Atom CA of residue 21
Atom CD1 of residue 113
Atom CA of residue 135
Atom NH2 of residue 13
Atom CB of residue 45
GLN
Atom C of residue 45
Atom CG of residue 78
ALA
Atom C of residue 37
ILE
Atom CD2 of residue 53
Atom OD1 of residue 121
Atom CA of residue 493
Atom OE1 of residue 143
Atom CD of residue 98
Atom CA of residue 5
Atom C of residue 99
Atom CB of residue 58
Atom C of residue 29
Atom O of residue 44
PRO
Atom CA of residue 115
Atom CA of residue 54
Atom OH of residue 21
Atom N of residue 6
Atom CG of residue 60
Atom CG of residue 40
Atom CD of residue 67
Atom CA of residue 100
Atom N of residue 77
ALA
Atom N of residue 17
Atom SG of residue 43
Atom CE of residue 46
ASN
Atom N of residue 75
Atom CB of residue 69
Chain B
Atom C of residue 97
Atom CD1 of residue 80
Atom OD1 of residue 30
Atom CA of residue 468
Atom CA of residue 60
Atom CA of residue 125
Atom OE2 of residue 42
Atom CZ3 of residue 41
Atom C of residue 87
Model 8
Atom CA of residue 142
Atom OE1 of residue 42
Atom NH1 of residue 54
LYS
Atom CE2 of residue 64
Atom O of residue 96
ARG
Atom OE1 of residue 89
GLU
Atom CH2 of residue 41
SER
Atom CB of residue 46
Atom CA of residue 60
Atom N of residue 69
LYS
Atom CA of residue 104
Atom CA of residue 77
Atom CA of residue 72
THR
Atom CA of residue 155
Atom CA of residue 15
Atom CA of residue 98
Atom CE2 of residue 41
Atom CA of residue 31
Atom NE1 of residue 41
Atom CA of residue 18
Atom NE2 of residue 130
Atom CD1 of residue 58
Atom CA of residue 50
Atom CD1 of residue 41
Atom CA of residue 145
Atom CA of residue 61
TRP
Atom C of residue 41
MET
ASP
Atom O of residue 70
Atom CA of residue 48
Atom N of residue 111
PHE
Atom CB of residue 89
Atom C of residue 35
Atom CB of residue 106
Atom CG of residue 40
Atom N of residue 28
Atom O of residue 35
Atom CD of residue 54
Atom O of residue 46
Atom CG of residue 62
HIS
Atom CB of residue 40
Atom N of residue 46
Atom N of residue 64
GLY
Atom CG of residue 28
Atom C of residue 40
Atom CE of residue 39
Atom CA of residue 471
Atom O of residue 74
LYS
Atom CA of residue 484
Atom N of residue 22
Atom N of residue 97
Atom CD1 of residue 87
Atom CB of residue 22
PRO
Atom CA of residue 93
Atom CA of residue 62
Atom O of residue 39
Atom CB of residue 58
Atom N of residue 150
LYS
Atom CA of residue 92
Atom CA of residue 39
GLY
MET
PRO
Atom CA of residue 52
Atom N of residue 39
Atom CD2 of residue 24
Atom CA of residue 30
HIS
Atom CA of residue 25
Atom CD1 of residue 38
TRP
GLU
Atom CA of residue 452
PRO
MET
Atom CB of residue 43
Atom OD1 of residue 33
Atom C of residue 83
Atom CD2 of residue 51
Atom CB of residue 38
Atom O of residue 38
Atom CG of residue 110
Atom OD1 of residue 31
Atom CA of residue 450
Atom CA of residue 442
Atom CA of residue 91
Atom C of residue 38
UpdateRigidBodyMembers10
Atom CZ2 of residue 103
VAL
Atom CB of residue 75
Atom CA of residue 136
Atom ND2 of residue 37
Atom O of residue 64
Atom OD1 of residue 37
Atom CB of residue 37
Atom CA of residue 432
Atom OG of residue 89
Atom CA of residue 12
Atom CA of residue 22
Atom CA of residue 45
Atom CA of residue 534
Atom CA of residue 91
LYS
Atom N of residue 43
Atom CA of residue 37
MET
Atom CA of residue 130
Atom CA of residue 90
VAL
ASN
Atom OE1 of residue 69
Atom SD of residue 36
PRO
Atom CA of residue 98
Atom C of residue 154
ARG
Atom CG of residue 36
LEU
Atom CG of residue 40
Atom N of residue 125
Atom CB of residue 94
SER
PHE
Atom N of residue 62
Atom C of residue 123
Atom CG2 of residue 35
Atom OG1 of residue 35
Atom CD of residue 61
GLU
LYS
Atom N of residue 126
TYR
Atom N of residue 87
Atom ND2 of residue 74
Atom O of residue 35
ASN
Atom CA of residue 469
Atom CB of residue 33
Atom O of residue 96
Atom CA of residue 155
Atom CA of residue 129
ARG
ASP
Atom CB of residue 121
Atom N of residue 33
Atom C of residue 34
Atom CG1 of residue 71
Atom CA of residue 577
Atom CG of residue 40
Atom CZ of residue 137
Atom CA of residue 126
Atom CA of residue 528
Atom N of residue 71
Atom CG of residue 130
ALA
PRO
Atom CA of residue 58
Atom CA of residue 38
Atom N of residue 110
Atom CB of residue 100
Atom CA of residue 41
Atom CA of residue 10
Atom CD1 of residue 136
Atom O of residue 83
Atom C of residue 30
Atom CA of residue 96
Atom CG of residue 48
Atom N of residue 60
ASP
Atom CA of residue 40
Atom CB of residue 94
LYS
Atom O of residue 88
LEU
Atom CE1 of residue 75
Atom N of residue 29
Atom CD2 of residue 22
LYS
CYS
Atom N of residue 129
Atom CE1 of residue 64
Atom O of residue 32
Atom O of residue 101
Atom CG2 of residue 88
Atom N of residue 24
Atom O of residue 28
HIS
Atom N of residue 71
Atom CE2 of residue 22
Atom C of residue 28
Atom CE1 of residue 22
Atom CA of residue 28
Atom CA of residue 60
ASN
Atom O of residue 103
Atom CA of residue 60
Atom CG of residue 42
Atom CB of residue 27
Atom CE of residue 48
PRO
Atom CA of residue 19
Atom CG of residue 80
Atom CB of residue 26
ILE
PRO
Atom CG of residue 86
Atom N of residue 148
ALA
LYS
Atom CA of residue 113
Atom CD of residue 8
Atom CA of residue 26
Atom CG of residue 80
ALA
Atom CG2 of residue 25
Atom CB of residue 74
PRO
Atom CB of residue 25
Atom O of residue 25
Atom CA of residue 18
Atom N of residue 31
Atom CB of residue 60
Atom CA of residue 44
Atom CH2 of residue 53
Atom CA of residue 59
ALA
Atom CA of residue 41
Atom CD of residue 45
GLY
Atom CB of residue 77
Atom CE of residue 76
Atom O of residue 110
Atom O of residue 114
Atom OD1 of residue 37
Atom OD1 of residue 85
Atom CD2 of residue 20
SER
Atom N of residue 133
Atom CG of residue 94
GLU
Atom N of residue 24
ASP
Atom CA of residue 138
Atom O of residue 23
Atom C of residue 23
Atom CA of residue 78
Atom CA of residue 84
Atom CZ of residue 22
Atom N of residue 63
LYS
Atom CD1 of residue 4
Atom CB of residue 78
Atom C of residue 62
Atom O of residue 112
Atom C of residue 21
Atom N of residue 55
Atom CA of residue 121
Atom CA of residue 128
Atom CB of residue 10
Atom OG of residue 7
Atom NE2 of residue 20
ASN
Atom C of residue 70
Atom CA of residue 67
Atom N of residue 108
Atom CB of residue 13
ASP
PHE
ARG
Atom C of residue 77
Atom N of residue 89
Atom CB of residue 63
Atom CZ of residue 17
Atom CA of residue 128
Atom NE of residue 17
Atom N of residue 64
Atom OG1 of residue 29
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scons: *** Error 1
multifit module unit tests FAILED
Running multifit module unit tests
scons: *** [modules/multifit/test/fast-test.results] Error 1
ld: warning: duplicate dylib /opt/local/lib/libz.1.dylib
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/em2d/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/clustering_of_pdb_models.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/collision_cross_section.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/em_images_conversion.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/optimize_em2d_with_montecarlo.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/examples/fast-test.results.out) > /dev/null
Run example clustering_of_pdb_models.py ... in 5.353s ... ok
Run example collision_cross_section.py ... ok
Run example em_images_conversion.py ... ok
Run example optimize_em2d_with_montecarlo.py ... in 4.235s ... ok

----------------------------------------------------------------------
Ran 4 tests in 10.527s

OK
em2d examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/em2d/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em2d --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_align2d.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_clustering_of_models.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_collision_cross_section.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_domino_filters.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_em2d_restraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_fft_operations.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_images_opencv.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_project.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_projection_registration.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_registration_results.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_relative_mover.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_rigid_bodies_image_fit.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_segmentation_routines.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_selection_files.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_em2d_standards.py >/private/tmp/nightly-build-90354/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 4.206s ... ok
Test the calculation of the collision cross section of a complex ... ok
Test filtering distances with domino ... ok
Test that an a optimization with em2d restraint is properly built ... in 2.760s ... 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 ... ok
Test the generation of noisy projections ... in 4.646s ... ok
Generation of random projection from a PDB file with em2d images ... ok
Test the registration of 3 subjects from 1gyt.pdb at 0.5 SNR ... in 61.414s ... 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 37.136s ... ok
Test scoring with RigidBodiesImageFitRestraint ... FAIL
in 4.707s ... Test the diffusion filtering on Nup84 class average ... in 6.909s ... 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

======================================================================
FAIL: Test scoring with RigidBodiesImageFitRestraint
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/em2d/test/test_rigid_bodies_image_fit.py", line 74, in test_rigid_body_image_fit_restraint
    msg = "Wrong value for the score %f " % (score))
AssertionError: 0.022804192526219902 != 0 within 0.02 delta : Wrong value for the score 0.022804 

----------------------------------------------------------------------
Ran 40 tests in 125.778s

FAILED (failures=1)
scons: *** Error 1
em2d module unit tests FAILED
Running em2d module unit tests
scons: *** [modules/em2d/test/fast-test.results] Error 1
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/misc/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/examples/decay.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/examples/fast-test.results.out) > /dev/null
Run example decay.py ... in 365.048s ... ok

----------------------------------------------------------------------
Ran 1 test in 365.049s

OK
misc examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/misc/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.misc --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/test/test_common_endpoint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/test/test_decay.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/test/test_lrps.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/misc/test/test_wlc.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_misc_standards.py >/private/tmp/nightly-build-90354/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 0.713s

OK
misc module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/system/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/system/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.system --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/system/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_system_standards.py >/private/tmp/nightly-build-90354/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 0.009s

OK
system module unit tests succeeded
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/swig/IMP_isd.i:152: Warning 303: %extend defined for an undeclared class IMP::isd::GaussianProcessInterpolationSparse.
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/swig/IMP_isd.i:154: Warning 303: %extend defined for an undeclared class IMP::isd::GaussianProcessInterpolationRestraintSparse.
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
/private/tmp/nightly-build-90354/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning 314: 'lambda' is a python keyword, renaming to '_lambda'
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/isd/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/harmonic/demux_trajs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/harmonic/harmonic.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/harmonic/shared_functions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/ubiquitin/demux_trajs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/ubiquitin/replica_exchange.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/examples/ubiquitin/shared_functions.py >/private/tmp/nightly-build-90354/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
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 0.465s

OK
isd examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/isd/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.isd --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_AmbiguousNOERestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Covariance1DFunction.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_FNormal.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolation.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumerically.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumerically.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintSparse.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationSparse.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GeneralizedGuinierPorodFunction.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_HybridMonteCarlo.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_JeffreysRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Linear1DFunction.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_LognormalRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalHBondRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsMover.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsNuisance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsXYZ.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_NOERestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Nuisance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_NuisanceRangeModifier.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Replica.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_RepulsiveDistancePairScore.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Scale.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_SlidingPriorRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Switching.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_TALOSRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_TBLReader.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_TuneRex.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_communication.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_shared_functions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_vonMises.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_vonMisesKappaConjugateRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_vonMisesKappaJeffreysRestraint.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_vonMisesSufficient.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/isd_cpp_test_programs.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_isd_standards.py >/private/tmp/nightly-build-90354/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) ... ok
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
test ensemble averages against the standard Monte Carlo ... in 1.254s ... ok
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 1.805s ... 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 ... skipped 'this test requires the scipy Python module'
test derivatives for kappa by varying the angle ... skipped 'this test requires the scipy Python module'
test energy of the restraint by varying p3 ... skipped 'this test requires the scipy Python module'
test energy of the restraint by varying kappa ... skipped 'this test requires the scipy Python module'
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 3.112s ... test__setup_normal_mover (_test_38.testSharedFunctions) ... ERROR
test_find_atom (_test_38.testSharedFunctions) ... FAIL
in 2.986s ... test_hello (_test_38.testSharedFunctions) ... ok
test_init_model_Jeffreys (_test_38.testSharedFunctions) ... ERROR
test_init_model_NOE_restraint (_test_38.testSharedFunctions) ... in 3.035s ... ok
test_init_model_NOEs (_test_38.testSharedFunctions) ... ERROR
in 2.997s ... test_init_model__setup_md_NVE (_test_38.testSharedFunctions) ... in 2.989s ... ok
test_init_model__setup_md_berendsen (_test_38.testSharedFunctions) ... FAIL
in 3.000s ... test_init_model__setup_md_langevin (_test_38.testSharedFunctions) ... FAIL
in 3.021s ... test_init_model__setup_md_rescale (_test_38.testSharedFunctions) ... ERROR
in 2.995s ... test_init_model__setup_md_restraints (_test_38.testSharedFunctions) ... ERROR
in 2.997s ... test_init_model_ambiguous_NOE_restraint (_test_38.testSharedFunctions) ... expected failure
in 2.925s ... test_init_model_base (_test_38.testSharedFunctions) ... ERROR
rudimentary test of things ... ERROR
in 2.988s ... test_init_model_setup_scale (_test_38.testSharedFunctions) ... ERROR
test_init_model_standard_SAXS_restraint (_test_38.testSharedFunctions) ... ERROR
in 4.475s ... 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 ... skipped 'this test requires the scipy Python module'
tests vonMises.evaluate ... skipped 'this test requires the scipy Python module'
tests vonMises.evaluate_derivative_kappa ... skipped 'this test requires the scipy Python module'
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 ... skipped 'this test requires the scipy Python module'
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 ... skipped 'this test requires the scipy Python module'
test energy by changing R0 ... skipped 'this test requires the scipy Python module'
test energy by changing c ... skipped 'this test requires the scipy Python module'
test probability by changing kappa ... skipped 'this test requires the scipy Python module'
test probability by changing R0 ... skipped 'this test requires the scipy Python module'
test probability by changing c ... skipped 'this test requires the scipy Python module'
raise ModelException if c < 0 ... ok
testContainers (_test_41.TestvonMisesKappaJeffreysRestraint) ... ok
test the derivative of the restraint ... skipped 'this test requires the scipy Python module'
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) ... skipped 'this test requires the scipy Python module'
test probability ... skipped 'this test requires the scipy Python module'
test alternative constructor ... ok
tests vonMisesSufficient.density ... skipped 'this test requires the scipy Python module'
tests vonMisesSufficient.evaluate ... skipped 'this test requires the scipy Python module'
tests vonMisesSufficient.evaluate_derivative_kappa ... skipped 'this test requires the scipy Python module'
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
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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2429, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: testParticles (_test_20.TestMaintainScaleOrderConstraint)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 151, in testValueGammaHat
    self.assertAlmostEqual(self.noe.get_gammahat(),
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 1920, in 
    __getattr__ = lambda self, name: _swig_getattr(self, MarginalNOERestraint, name)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 55, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_gammahat

======================================================================
ERROR: test_Setup1 (_test_31.TestScaleParam)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_Scale.py", line 27, in test_Setup1
    self.assertTrue(math.isinf(si.get_upper()))
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 426, 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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_TALOSRestraint.py", line 241, in testModeKappa
    cg.optimize(100)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/__init__.py", line 2831, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 739, in _setup_normal_mover
    IMP.FloatKeys([floatkey]),stepsize)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/core/__init__.py", line 4695, in __init__
    this = _IMP_core.new_NormalMover(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'new_NormalMover'.
  Possible C/C++ prototypes are:
    IMP::core::NormalMover::NormalMover(IMP::ParticlesTemp const &,IMP::FloatKeys const &,IMP::Float)
    IMP::core::NormalMover::NormalMover(IMP::ParticlesTemp const &,IMP::Float)


======================================================================
ERROR: test__setup_md_mover (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 246, in test__setup_md_mover
    100.0, n_md_steps = 50)
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 739, in _setup_normal_mover
    IMP.FloatKeys([floatkey]),stepsize)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/core/__init__.py", line 4695, in __init__
    this = _IMP_core.new_NormalMover(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'new_NormalMover'.
  Possible C/C++ prototypes are:
    IMP::core::NormalMover::NormalMover(IMP::ParticlesTemp const &,IMP::FloatKeys const &,IMP::Float)
    IMP::core::NormalMover::NormalMover(IMP::ParticlesTemp const &,IMP::Float)


======================================================================
ERROR: test_init_model_Jeffreys (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 126, in test_init_model_NOEs
    tblfile, name='test')
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 4235, in 
    __getattr__ = lambda self, name: _swig_getattr(self, VelocityScalingOptimizerState, name)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 55, 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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 4190, in 
    __getattr__ = lambda self, name: _swig_getattr(self, MolecularDynamics, name)
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 55, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_restraint_sets

======================================================================
ERROR: test_init_model_base (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 704, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number or type of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    IMP::isd::Scale::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 "/private/tmp/nightly-build-90354/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 ensemble averages
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/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: 1.1215112454719973 != 1.0425469051899914 within 0.01 delta

======================================================================
FAIL: test derivative wrt x for 3 particles and 2 contributions
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 73, in testValueEDist1
    expected,delta=0.001)
AssertionError: 1.1916255030999612 != 1.1680141333034717 within 0.001 delta

======================================================================
FAIL: test energy on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 127, in testValueEDist2
    expected,delta=0.001)
AssertionError: -0.075683843873987078 != -0.52125323924491895 within 0.001 delta

======================================================================
FAIL: test probability on three particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 53, in testValuePDist1
    expected,delta=0.001)
AssertionError: 1.3938417816772588 != 8.2415927196832843 within 0.001 delta

======================================================================
FAIL: test probability on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 100, in testValuePDist2
    expected,delta=0.001)
AssertionError: 0.11910154067506888 != 0.1240254132764307 within 0.001 delta

======================================================================
FAIL: test sum of squares on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 180, in testValueSS
    expected,delta=0.001)
AssertionError: 1.3435863128094667 != 1.0102529794761377 within 0.001 delta

======================================================================
FAIL: test_find_atom (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/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: 1L != 2

======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_isd_standards.py", line 17, in test_classes
    spelling_exceptions)
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_isd_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_isd_standards.py", line 12, in test_value_objects
    return self.assertValueObjects(IMP.isd,exceptions)
  File "/private/tmp/nightly-build-90354/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 55.717s

FAILED (failures=13, errors=68, skipped=45, expected failures=6)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P0
Restraint 186
P0
Model 431
P0
Restraint 184
P0
Restraint 182
Model 427
Restraint 181
P0
Model 426
Restraint 180
P0
Model 425
P0
Restraint 178
Model 423
Model 422
P0
Model 420
P0
P0
Model 418
P0
Model 416
Restraint 175
P0
P0
Model 412
P0
Restraint 171
P0
Restraint 169
P0
Model 408
P0
Model 407
P0
Restraint 166
P0
phys
PairsRestraint 13
MovedSingletonContainer11
ClosePairContainer
GridCPF
ListSingletonContainer589
UnaryFunction36
DihedralSingletonScore11
UnaryFunction34
P13623
P13619
P13618
P13617
P13616
P13615
P13613
P13612
P13611
P13609
P13608
P13607
P13604
P13603
P13600
P13599
P13598
P13596
P13595
P13594
P13593
P13592
P13591
P13590
P13588
P13586
P13584
P13583
P13582
P13581
P13577
P13575
P13574
P13573
P13571
P13569
P13566
P13565
P13564
P13562
P13561
P13559
P13558
P13556
P13555
P13554
P13553
P13551
P13550
P13549
P13545
P13544
P13542
P13541
P13540
P13536
P13535
P13534
P13533
P13528
P13527
P13525
P13524
P13523
P13522
P13519
P13518
P13517
P13516
P13512
P13511
P13508
P13507
P13506
P13503
P13502
P13501
P13499
P13498
P13494
P13493
P13492
P13490
P13489
P13487
P13483
P13482
P13480
P13479
P13478
P13477
P13476
P13475
P13473
P13472
P13471
P13470
P13469
P13468
P13466
P13464
P13463
P13462
P13461
P13460
P13459
P13457
P13456
P13455
P13454
P13453
P13452
P13451
P13450
P13447
P13446
P13445
P13444
P13443
P13440
P13436
P13434
P13432
P13429
P13427
P13425
P13424
P13423
P13421
P13420
P13414
P13413
P13412
P13411
P13410
P13409
P13408
P13407
P13406
P13405
P13403
P13402
P13401
P13400
P13399
P13398
P13395
P13394
P13393
P13392
P13391
P13390
P13389
P13384
P13379
P13377
P13376
P13375
P13374
P13371
P13369
P13368
P13364
P13363
P13362
P13361
P13360
P13359
P13355
P13354
P13353
P13352
P13351
P13349
P13347
P13346
P13344
P13343
P13342
P13337
P13336
P13335
P13334
P13333
P13328
P13326
P13325
P13324
P13320
P13319
P13318
P13317
P13316
P13315
P13311
P13310
P13308
P13306
P13305
P13304
P13303
P13302
P13301
P13300
P13299
P13298
P13296
P13294
P13293
P13292
P13291
P13290
P13288
P13285
P13283
P13282
P13281
P13280
P13279
P13278
P13277
P13276
P13275
P13274
P13272
P13271
P13270
P13268
P13266
P13264
P13263
P13262
P13261
P13260
P13259
P13258
P13257
P13255
P13252
P13251
P13249
P13248
P13247
P13246
P13245
P13244
P13243
P13242
P13241
P13240
P13239
P13236
P13235
P13230
P13229
P13227
P13226
P13224
P13223
P13222
P13218
P13217
P13216
P13214
P13213
P13212
P13211
P13210
P13209
P13208
P13206
P13201
P13200
P13198
P13194
P13193
P13192
P13191
P13190
P13189
P13185
P13184
P13183
P13182
P13181
P13179
P13178
P13177
P13176
P13175
P13173
P13172
P13169
P13167
P13165
P13164
P13163
P13161
P13160
P13159
P13158
P13157
P13156
P13155
P13154
P13152
P13151
P13147
P13146
P13145
P13144
P13142
P13138
P13136
P13135
P13133
P13131
P13130
P13129
P13128
P13124
P13123
P13121
P13120
P13119
P13116
P13115
P13112
P13111
P13110
P13109
P13105
P13104
P13102
P13099
P13097
P13096
P13093
P13092
P13091
P13088
P13083
P13082
P13081
P13078
P13076
P13075
P13074
P13073
P13071
P13070
P13069
P13068
P13067
P13065
P13064
P13063
P13062
P13059
P13058
P13057
P13056
P13054
P13053
P13051
P13050
P13049
P13048
P13047
P13044
P13043
P13039
P13035
P13034
P13033
P13032
P13031
P13029
P12980
P12979
P12944
P12943
P12942
P12941
P12940
P12939
P12938
P12936
P12934
P12933
P12932
P12931
P12930
P12929
P12928
P13433
P12927
P12926
P12924
P12923
P12922
P12921
P12920
P12919
P12918
P12917
P12916
P12915
P12914
P12913
P12912
P12911
Restraint 177
P12910
P12909
P12908
P12905
P12904
P12903
P12902
P12901
P12900
P12899
P12898
P13357
P12897
P12888
P12887
P12886
P13345
P12885
P12884
P12883
P12882
P12880
P12877
P12876
P12875
P12874
P12873
P12872
P12870
P12869
P12868
P13327
P12866
P12864
P12863
P12861
P12860
P12859
P12858
P12857
P12856
P12855
P12854
P12852
P12807
P12801
P12800
P12797
P12796
P12795
P12794
P12793
P12792
P12791
P12790
P12789
P12788
P12787
P12786
P12784
P12783
P12782
P12780
P12779
P12778
P12777
P12776
P12775
P12774
P12773
P12772
P12771
P12770
P12769
P12768
P12767
P12766
P12765
P12763
P12762
P12760
P12759
P12758
P12757
P12754
P12753
P12752
P12751
P12750
P12749
P12748
P12747
P12745
P12744
P12743
P12742
P12741
P12740
P12738
P12737
P12736
P12735
P12734
P12733
P12730
SingletonScore 22
P12729
P12728
P12727
P12726
P12725
P12724
P12723
P12722
P12721
P12720
P12719
P12718
P12716
P12715
P12713
P12712
P12711
P12710
P12708
P12707
P12706
P12705
P12704
P12703
P12701
P12699
P12698
P12697
P12696
P12695
P12694
P12693
P12692
P12691
P12688
P12687
P12686
P12685
P12684
P12682
P12681
P12680
P12679
P12678
P12676
P12675
P12674
P12673
P12672
P12671
P12669
P12668
P12667
P12666
P12665
P13563
P12664
P12662
P12661
P12660
P13557
P12658
P12657
P12656
P12655
P12654
P12653
P13552
P12652
P12651
P12650
P12648
P12647
P13546
P12646
P12644
P12643
P12642
P12641
P12640
P12639
P12638
P12637
P12636
P12635
P12634
P12633
P12632
P12631
P12630
P12629
P12626
P12625
P12624
P12623
P12622
P12621
P12620
P12619
P12618
P12616
P12615
P12610
P12609
P12608
P12607
P12606
P12605
P12604
P12602
P12601
P12600
P12599
P12598
P13500
P12597
P12596
P12595
P12594
P12593
P12590
P12588
P12586
P12585
P12584
P12583
P12582
P12581
P12580
P12579
P13481
P12577
P12576
P12574
P12573
P12572
P13474
P12570
P12569
P12567
P12566
P12565
P12564
P12562
P12561
P12560
P12559
P12557
P12555
P12553
P12552
P12551
P12550
P12548
P12546
P12545
P12544
P12543
P12541
P12540
P12539
P12536
P12535
P12533
P12532
P12530
P12529
P12528
P12527
P12526
P12525
P12524
P12522
P12520
P12519
P12518
P12517
P12515
P12514
P12512
P12511
P12509
P12508
P12506
P12505
P12495
P12493
P12492
P12490
P12489
P12487
P12486
P12485
P12484
P12483
P12475
P12473
P12467
P12465
P12464
P12462
P12461
P12459
P12458
P12457
P12456
P12455
P12454
P12453
P12450
P12448
P12447
P12445
P12443
P12442
P12441
P12440
P12439
P12436
P12434
P12433
P12432
P12431
P12430
P12429
P12428
P12427
P12426
P12425
P12423
P12421
P12418
P12417
P12415
P12414
P12413
P12412
P12411
P12409
P12407
P12405
P12404
P12403
P12402
P12400
P12399
P12398
P12396
P12395
P12393
P12392
P12390
P12388
P12387
P12386
P12385
P12382
P12380
P12379
P12378
P12377
P12374
P12373
P12371
P12370
P12367
P12366
P12365
P12364
P12363
P12361
P12360
P12359
P12358
P12357
P12356
P12355
P12352
P12351
P12350
P12349
P12348
P12347
P12346
P12345
P12344
P12343
P12342
P12341
P12339
P12338
P12337
P12336
P12335
P12334
P12332
P12331
P12330
P12329
P12328
P12327
P12326
P12324
P12323
P12322
P12321
P12320
P12319
P12317
P12316
P12314
P12313
P12311
P12310
P12309
P12308
P12307
P12306
P12305
P12304
P12303
P12301
P12299
P12298
P12296
P12294
P12292
P12290
P12289
P12288
P12286
P12285
P12284
P12283
P12282
P12281
P12280
P12279
P12277
P12276
P12274
P12273
P12270
P12269
P12267
P12266
P12264
P12263
P12262
P12261
P12259
P12258
P12257
P12255
P12253
P12252
P12251
P12250
P12248
P12246
P12245
P12244
P12243
P12242
P12240
P12239
P12238
P12237
P12236
P12235
P12234
P12233
P12232
P12231
P12230
P12229
P12228
P12226
P12225
P12224
P12223
P12221
P12220
P12218
P12217
P12216
P12214
P12213
P12212
P12211
P12210
P12209
P12208
P12207
P12206
P12205
P12203
P12202
P12201
P12199
P12198
P12196
P12195
P12194
P12191
P12189
P12188
P12187
P12186
P12185
P12184
P12183
P12182
P12181
P12180
P12178
P12177
P12176
P12174
P12173
P12171
P12170
P12169
P12168
P12167
P12163
P12162
P12161
P12160
P12159
P12157
P12156
P12155
P12154
P12153
P12152
P12151
P12149
P12148
P12147
P12145
P12144
P12143
P12142
P12141
P12140
P12139
P12138
P12137
P12135
P12134
P12132
P12131
P12130
P12129
P12128
P12127
P12125
P12124
P12123
P12122
P12121
P12120
P12119
P12118
P12117
P12116
P12115
P12114
P12113
P12112
P12111
P12110
P12109
P12108
P12106
P12105
P12104
P12102
P12101
P12099
P12098
P12097
P12095
P12094
P12092
P12091
P12089
P12088
P12087
P12086
P12085
P12084
P12083
P12081
P12080
P12078
P12077
P12074
P12073
P12072
P12067
P12066
P12065
P12064
P12063
P12062
P12060
P12059
P12058
P12057
P12056
P12055
P12054
P12053
P12052
P12051
P12049
P12048
P12046
P12045
P12044
P12042
P12041
P12039
P12038
P12036
P12035
P12034
P12033
P12032
P12031
P12030
P12029
P12027
P12026
P12025
P12024
P12023
P12022
P12021
P12020
P12019
P12016
P12014
P12013
P12012
P12007
P12006
P12005
P12004
P12002
P12000
P11999
P11998
P11996
P11995
P11994
P11993
P11992
P11991
P11989
P11988
P11987
P11986
P11985
P11983
P11982
P11981
P11980
P11979
P11978
P11977
P11976
P11974
P11973
P11972
P11970
P11969
P11967
P11966
P11965
P11964
P11963
P11961
P11960
P11959
P11957
P11955
P11954
P11953
P11952
P11951
P11950
P11949
P11948
P11947
P11944
P11942
P11941
P11940
P11939
P11938
P11937
P11935
P11934
P11933
P11931
P11930
P11929
P11928
P11927
P11924
P11922
P11920
P11919
P11917
P11916
P11915
P11913
P11912
P11910
P11909
P11908
P11907
P11904
P11903
P11902
P11901
P11899
P11898
P11897
P11895
P11894
P11892
P11891
P11890
P11887
P11885
P11884
P11883
P11882
P11881
P11880
P11878
Model 411
P11877
P11876
P11875
P11874
P11873
P11872
P11871
P11870
P11869
P11866
P11864
P11863
P11862
P11860
P11856
P11855
P11854
P11851
P11850
P11849
P11848
P11847
P11846
P11844
P11843
P11842
P11841
P11840
P11839
P11838
P11837
P11834
P11833
P11832
P11831
P11830
P11828
P11827
P11825
P11824
P11823
P11822
P11821
P11820
P11819
P11818
P11817
P11816
P11814
P11813
P11812
P11811
P11810
P11807
P11806
P11805
P11803
P11802
P11801
P11798
P11797
P11796
P11795
P11794
P11793
P11792
P11791
P11790
P11789
P11788
P11787
P11785
P11783
P11782
P11781
P11780
P11779
P11778
P11777
P11776
P11775
P11774
P11770
P11768
P11767
P11766
P11765
P11764
P11763
P11762
P11761
P11760
P11759
P11758
P11757
P11756
P11753
P11750
P11749
P11748
P11747
P11745
P11743
P11741
P11740
P11738
P11737
P11736
P11735
P11734
P11733
P11732
P11731
P11730
P11728
P11727
P11726
P11725
P11724
P11722
P11721
P11720
P11719
P11718
P11717
P11716
P11714
P11713
P11710
P11709
P11707
P11706
P11705
P11704
P11703
P11702
P11701
P11700
P11699
P11696
P11695
P11694
P11692
P11691
P11690
P11689
P11688
P11687
P11686
P11685
P11684
P11681
P11680
P11674
P11673
P11672
P11671
P11670
P11669
P11668
P11666
P11665
P11664
P11663
P11660
P11659
P11658
P11656
P11655
P11653
P11651
P11650
P11649
P11648
P11646
P11645
P11643
P11641
P11640
P11639
P11638
P11636
P11635
P11634
P11633
P11631
P11630
P11629
P11628
P11627
P11626
P11624
P11623
P11621
P11620
P11619
P11618
P11616
P11615
P11612
P11611
P11610
P11608
P11606
P11605
P11603
P11601
P11600
P11599
P11598
P11597
P11596
P11595
P11594
P11593
P11591
P11590
P11589
P11588
P11586
P11585
P11584
P11583
P11582
P11581
P11579
P11578
P11577
P11575
P11573
P11571
P11570
P11568
P11567
P11566
P11565
P11563
P11562
P11561
P11560
P11559
P11558
P11556
P11554
P11553
P11552
P11551
P11548
P11546
P11545
P11544
P11543
P11542
P11540
P11539
P11538
P11537
P11535
P11534
P11533
P11532
P11531
P11530
P11528
P11508
P11505
P11504
P11502
P11501
P11500
P11499
P11498
P11497
P11496
P11492
P11491
P11490
P11489
P11488
P11487
P11486
P11484
P11483
P11481
P11480
P11479
P11477
P11476
P11475
P11474
P11473
P11472
P11471
P11470
P11469
P11468
P11467
P11466
P11464
P11462
P11461
P11460
P11457
P11456
P11455
P11454
P11453
P11452
P11451
P11450
P11449
P11448
P11446
P11445
P11444
P11443
P11440
P11439
P11437
P11436
P11435
P11433
P11431
P11430
P11429
P11428
P11427
P11426
P11425
P11424
P11423
P11422
P11421
P11419
P11418
P11415
P11412
P11411
P11410
P11409
P11407
P11404
P11402
P11401
P11400
P11398
P11397
P11396
P11395
P11394
P11393
P11392
P11390
P11389
P11388
P11387
P11385
P11384
P11383
P11382
P11381
P11379
P11378
P11377
P11373
P11372
P11370
P11368
P11367
P11364
P11360
P11359
P11358
P11357
P11356
P11355
P11354
P11352
P11350
P11349
P11348
P11347
P11346
P11345
P11343
P11342
P11340
P11339
P11337
P11335
P11334
P11331
P11330
P11328
P11327
P11326
P11325
P11324
P11323
P11320
P11318
P11316
P11315
P11314
P11313
P11312
P11311
P11310
P11309
P11308
P11307
P11306
P11305
P11304
P11303
P11302
P11300
P11299
P11298
P11297
P11296
P11295
P11294
P11293
P11291
P11290
P11287
P11286
P11285
P11284
P11283
P11281
P11280
P11279
P11278
P11277
P11276
P11274
P11273
P11272
P11271
P11270
P11269
P11268
P11266
P11265
P11264
P11263
P11262
P11261
P11260
P11259
P11258
P11256
P11255
P11254
P11253
P11252
P11251
P11248
P11247
P11245
P11244
P11243
P11241
P11240
P11239
P11238
P11237
P11234
P11231
P11213
P11210
P11200
P11199
P11198
P11197
P11196
P11194
P11193
P11192
P11191
P11190
P11189
P11188
P11187
P11185
P11184
P11183
P11182
P11181
P11179
P11178
P11177
P11176
P11174
P11173
P11172
P11171
P11170
P11169
P11167
P11166
P11165
P11163
P11161
P11160
P11159
P11158
P11157
P11156
P11155
P11154
P11153
P11152
P11148
P11146
P11145
P11144
P11143
P11142
P11141
P11140
P11139
P11138
P11136
P11133
P11132
P11131
P11129
P11128
P11127
P11126
P11125
P11124
P11123
P11122
P11121
P11120
P11116
P11114
P11113
P11112
P11110
P11106
P11105
P11104
P11102
P11101
P11099
P11098
P11096
P11094
P11093
P11092
P11091
P11090
P11089
P11087
P11086
P11084
P11083
P11082
P11080
P11079
P11078
P11076
P11071
P11070
P11069
P11068
P11063
P11062
P11061
P11059
P11056
P11054
P11053
P11052
P11051
P11050
P11049
P11048
P11047
P11046
P11044
P11043
P11041
P11040
P11039
P11034
P11033
P11032
P11031
P11030
P11029
P11028
P11025
P11024
P11022
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P3473
P3472
P3471
P3468
P3467
P3465
P3464
P3462
P3461
P11858
P3460
P3459
P3458
P3456
P3454
P3453
P3452
P3451
P3449
P3448
P3446
P3445
P3444
P3443
P3442
P3440
P3439
P3437
P3436
P3435
P11826
P3431
P3430
P3429
P3428
P3427
P3426
P3425
P3424
P3423
P3420
P3419
P3417
P3416
P11808
P3415
P3414
P3413
P3411
P3410
P3409
P3408
P3407
P3406
P3405
P3404
P3403
P3402
P3400
P3397
P3396
P3395
P3394
P3393
P3391
P3390
P3388
P3387
P3386
P3385
P3384
P3383
P3381
P3380
P3379
P3378
P3376
P3375
P3372
P3371
P3370
P3368
P3367
P3365
P3364
P11751
P3363
P3361
P3360
P3359
P3358
P3355
P3353
P3352
P3350
P3349
P3348
P3346
P3345
P3342
P3340
P3339
P3336
P3335
P3334
P3332
P3331
P3329
P3328
P11711
P3327
P3326
P3324
P3321
P3320
P3319
P3318
P3317
P3316
P11697
P3314
P3311
P3308
P3307
P3303
P3302
P3299
P11679
P3298
P3297
P3295
P3293
P3292
P3291
P3288
P3287
P3286
P3285
P3284
P3283
P3282
P3281
P11657
P3278
P3276
P11654
P3275
P3273
P3272
P3271
P3270
P3269
P3268
P3266
P3265
P3263
P3260
P3259
P3255
P3254
P3253
P3252
P3251
P3250
P11625
P3249
P3247
P3245
P3244
P3243
P3240
P3239
P3236
P3233
P3231
P11604
P3230
P3229
P3228
P3227
P3226
P3225
P3221
P3220
P3218
P3217
P3214
P3211
P3210
P3208
P3207
P3206
P3205
P3204
P3203
P3202
P3200
P3199
P11569
P3198
P3196
P3194
P3193
P3192
P3188
P3186
P3185
P3184
P3183
P3182
P11550
P3181
P3180
P11547
P3178
P3177
P3176
P3174
P3172
P3171
P3170
P3169
P3167
P3166
P3164
P3163
P11529
P3162
P11526
P3159
P3157
P3156
P3154
P3153
P3151
P3150
P3149
P3147
P3146
P3144
P3143
P3141
P3140
P3139
P11503
P3138
P3137
P3134
P3133
P3132
P3131
P11494
P3130
P3128
P3127
P3122
P3120
P3118
P3117
P3116
P3115
P3114
P3112
P3111
P3108
P3107
P3106
P3105
P3104
P3099
P3098
P3097
P3094
P3093
P3091
P3090
P3089
P3088
P3086
P3084
P11441
P3082
P3081
P11438
P3079
P3078
P3076
P3075
P3074
P3073
P3071
P3068
P3066
P3065
P3064
P11420
P3063
P3062
P3061
P3060
P3058
P11408
P3055
P3054
P3053
P3052
P3049
P3046
P3043
P3042
P3039
P3037
P3035
P3034
P3031
P3030
P3029
P3028
P3027
P3025
P3024
P3023
P3022
P3021
P3017
P3016
P3015
P3013
P11363
P3011
P3010
P3006
P3005
P3003
P3002
P3001
P3000
P2999
P2997
P2996
P11344
P2994
P2993
P2992
P11341
P2991
P2987
P2984
P2982
P2981
P2977
P2975
P2973
P2972
P11319
P2971
P2970
P2969
P2968
P2967
P2966
P2965
P2963
P2962
P2961
P2959
P2958
P2957
P11301
P2955
P2954
P2949
P2946
P2945
P2944
P2943
P2941
P2940
P2939
P2938
P2937
P2934
P2933
P2932
P2931
P2930
P2929
P2928
P2927
P2926
P2925
P2924
P2923
P2922
P2921
P2920
P2918
P2917
P2916
P11257
P2915
P2913
P2912
P2911
P2910
P2909
P2908
P2887
P2884
P2883
P2881
P2880
P2879
P2876
P2875
P2874
P2873
P2871
P2870
P2869
P2868
P2867
P2866
P2865
P2862
P2861
P2860
P2859
P11195
P2857
P2856
P2855
P2854
P2853
P2852
P2851
P2847
P2846
P2845
P11180
P2843
P2842
P2841
P2840
P2839
P2838
P2837
P2836
P2833
P2831
P2829
P11164
P2828
P2827
P2826
P2825
P2824
P2823
P2822
P2821
P2817
P2815
P11149
P2814
P2813
P2812
P2811
P2810
P2809
P2808
P2807
P2805
P2803
P2801
P11134
P2800
P2799
P2798
P2797
P2796
P2795
P2791
P2787
P11119
P2786
P2785
P2783
P2782
P2781
P2780
P2779
P2777
P2775
P2773
P2772
P11103
P2771
P2770
P2769
P2768
P2766
P2765
P2763
P2761
P2758
P11088
P2757
P2756
P2755
P2754
P2752
P2751
P2749
P2748
P2744
P11073
P2743
P2742
P2741
P2740
P2739
P2737
P2731
P11057
P2728
P2727
P2726
P2725
P2724
P2723
P2720
P2719
P2712
P2711
P2709
P2707
P2705
P2704
P2703
P2701
P11026
P2699
P2697
P2696
P2695
P2690
P2688
P2686
P11011
P2685
P2684
P2683
P2681
P2680
P2677
P2676
P2675
P2669
P2663
P2661
P2660
P2658
P10980
P2656
P2655
P2654
P2651
P2648
P10965
P2642
P2641
P2640
P2639
P2638
P2637
P2634
P2631
P2629
P10950
P2628
P2627
P2626
P2625
P2623
P2620
P2619
P2617
P2616
P2615
P2613
P2612
P2611
P10931
P2610
P2609
P2608
P2605
P10924
P2604
P10922
P2602
P2601
P2598
P2597
P2596
P10915
P2595
P2594
P2592
P2591
P2590
P2589
P2588
P2587
P10903
P2584
P2583
P2582
P2581
P2580
P2577
P2576
P2575
P2574
P2573
P10888
P2570
P2568
P2567
P2566
P2564
P2562
P2561
P2560
P10873
P2556
P2555
P2554
P2553
P2552
P2549
P2546
P2545
P2543
P10857
P2541
P2539
P2538
P2537
P2533
P2532
P2531
P2529
P10842
P2527
P2526
P2524
P2519
P2518
P2517
P2515
P2513
P10826
P2512
P2511
P2510
P2509
P2507
P2506
P2504
P2503
P2502
P2496
P2495
P2493
P2490
P2489
P2487
P2486
P2484
P10795
P2483
P2482
P2481
P2479
P2478
P2477
P2476
P2473
P2472
P2470
P10780
P2469
P2468
P2465
P2464
P2463
P2462
P2461
P2459
P2458
P2456
P10765
P2455
P2453
P2452
P2450
P2449
P2448
P2447
P2444
P10750
P2441
P2440
P2439
P2434
P2430
P2429
P10735
P2427
P2426
P2425
P2422
P2421
P2420
P2419
P2417
P2415
P10720
P2413
P2412
P2411
P2410
P2404
P2400
P10704
P2398
P2397
P2396
P2395
P2393
P2392
P2391
P2390
P2386
P2385
P10689
P2384
P2383
P2382
P2379
P2378
P2377
P2372
P2371
P10674
P2370
P2369
P2368
P2367
P2364
P2363
P2362
P2361
P2358
P2357
P10659
P2356
P2354
P2351
P2349
P2348
P2347
P2346
P2343
P2342
P10643
P2341
P2339
P2337
P2336
P2334
P2333
P2332
P2330
P2328
P2327
P2322
P2320
P2319
P2318
P2317
P10614
P2314
P2313
P2312
P10611
P2311
P2310
P2308
P2306
P2305
P2304
P2303
P2300
P2299
P2298
P2296
P2294
P2292
P2291
P2290
P2289
P2286
P2285
P2284
P10581
P2283
P2282
P2281
P2278
P2277
P2276
P2275
P2272
P2270
P10566
P2269
P2268
P2267
P2266
P2264
P2262
P2258
P2257
P2256
P2255
P2254
P10546
P2250
P2249
P2248
P2247
P2245
P2243
P2242
P2238
P2236
P2235
P2234
P2233
P2232
P2228
P2227
P2226
P10519
P2225
P2221
P2220
P2218
P2216
P2214
P2213
P2204
P2197
P10488
P2196
P2193
P2192
P2191
P2190
P2188
P2186
P2184
P2183
P10473
P2182
P2179
P2178
P2177
P2176
P2175
P2172
P2171
P2170
P10458
P2168
P2164
P2161
P2160
P2159
P2158
P2157
P2155
P2151
P10441
P2150
P2147
P2144
P2142
P2141
P2140
P2139
P2135
P2134
P2132
P2131
P2129
P2124
P2123
P2122
P2121
P2120
P2116
P2115
P2113
P2112
P2111
P2110
P2109
P2108
P2106
P2105
P2104
P2103
P2102
P2101
P2095
P2094
P10387
P2093
P2092
P2091
P2090
P2088
P2081
P2079
P2075
P2074
P2073
P2072
P2071
P2070
P2068
P2067
P2066
P2065
P2064
P2063
P2062
P2061
P2060
P2059
P2058
P2057
P2055
P2053
P2051
P2047
P2046
P2045
P2042
P2041
P2039
P2038
P2037
P2036
P2035
P2027
P2026
P2025
P2024
P2023
P2022
P10304
P2020
P2019
P2018
P2016
P2015
P2014
P2013
P2009
P10289
P2005
P2003
P2001
P1999
P1997
P1991
P1989
P1986
P1985
P10271
P1984
P1981
P1980
P1979
P1977
P1976
P1975
P1973
P1972
P1966
P1965
P1964
P1963
P10245
P1962
P1961
P1960
P1959
P1958
P1957
P1954
P1953
P1947
P1946
P1945
P1944
P1943
P1942
P1941
P1940
P1939
P1937
P1936
P1933
P1931
P1928
P1927
P1926
P10199
P1925
P1924
P1916
P1915
P1914
P1912
P1911
P1907
P1906
P1905
P1903
P1901
P1900
P1899
P1897
P1896
P1894
P1893
P1892
P1891
P1890
P1884
P1883
P1881
P1880
P1879
P1876
P1875
P1874
P1872
P1866
P1865
P1863
P10140
P1861
P1859
P1858
P1857
P1856
P1854
P1852
P1851
P1850
P1847
P1846
P1845
P1841
P10118
P1838
P10117
P1837
P10116
P1836
P1834
P1833
P1830
P1828
P1825
P1824
P1823
P1821
P1819
P1818
P1812
P1810
P1809
P1808
P1807
P1806
P1805
P1803
P1802
P1801
P1795
P1794
P1792
P1791
P1789
P1788
P10064
P1787
P1782
P1780
P1779
P1774
P1772
P1770
P1769
P1768
P1767
P1766
P1763
P1761
P1760
P1758
P1756
P1755
P1754
P1753
P1751
P1750
P1749
P1748
P1746
P1739
P1738
P1737
P1736
P1734
P1733
P1732
P1730
P1729
P1728
P1726
P1725
P1724
P1723
P1721
P1720
P1719
P1717
P1716
P1715
P1713
P1712
P1711
P1710
P1709
P1708
P1706
P1704
P1703
P1701
P1700
P1697
P1696
P1695
P1694
P1693
P1683
P1682
P1681
P1679
P1668
P1667
P1659
P1657
P1654
P1653
P1648
P1644
P1642
P1640
P1639
P1638
P1637
P1636
P1635
P1632
P1631
P1628
P1627
P1626
P1625
P1623
P1622
P1621
P1620
P1618
P1617
P1615
P1614
P1613
P1611
P1606
P1605
P1604
P1595
P1594
P1592
P1591
P1590
P1589
P1588
P1587
P1586
P1584
P1582
P1581
P1578
P1577
P1576
P1575
P1574
P1570
P1567
P1561
P1559
P1553
P1552
P1550
P1549
P1548
P1547
P1546
P1544
P1543
P1541
P1537
P1536
P1534
P1533
P1532
P1530
P1529
P1528
P1518
P1514
P1506
P1503
P1501
P1499
P1496
P1495
P1494
P1492
P1491
P1490
P1489
P1486
P1485
P1484
P1483
P1477
P1476
P1475
P1472
P1470
P1469
P1468
P1464
P1463
P1462
P1457
P1455
P1454
P1453
P1450
P1448
P1447
P1446
P1445
P1444
P1442
P1437
P1436
P1434
P1433
P1432
P1428
P1427
P1426
P1425
P1424
P1423
P1419
P1418
P1417
P1416
P1415
P1414
P1413
P1412
P1411
P1410
P1407
P1405
P1404
P1403
P1402
P4580
P1401
P4579
P1400
P1399
P1398
P1397
P1396
P1395
P1394
P1393
P1392
P1390
P1389
P1388
P1387
P1386
P1382
P1381
P1380
P1379
P1377
P1374
P1373
P1372
P1370
P1369
P1368
P1367
P1366
P1365
P1364
P1362
P4847
P1361
P4846
P1360
P4845
P1359
P4844
P1358
P4843
P1357
P4842
P1356
P4841
P1355
P4840
P1354
P1352
P1351
P1350
P1347
P1346
P1345
P1344
P1343
P1342
P1334
P1332
P1331
P1330
P1329
P4810
P1326
P4809
P1325
P4808
P1324
P4807
P1323
P4806
P1322
P4805
P1321
P4804
P1320
P1318
P1316
P1302
P1293
P1291
P1290
P4755
P1287
P1284
P1281
P1280
P1279
P1277
P1274
P1273
P1272
P1270
P1269
P1268
P1267
P1265
P1263
P1261
P1258
P1257
P1256
P1255
P1254
P1253
P1252
P1251
P1250
P1249
P1248
P1247
P1246
P1244
P1243
P1242
P1241
P1240
P1239
P1238
P1237
P1228
P1227
P1218
P4693
P1217
P4690
P1214
P1213
P1212
P1211
P1210
P1209
P1205
P1202
P1198
P1197
P1195
P1194
P1193
P4642
P1192
P1191
P1190
P1189
P1188
P1187
P1186
P1185
P1184
P1183
P1182
P1179
P1178
P1177
P1176
P1175
P1174
P1173
P1172
P1170
P1169
P1167
P1166
P1165
P1156
P1155
P1154
P1153
P1151
P1149
P1148
P1147
P4622
P1146
P4621
P1145
P4620
P1144
P4619
P1143
P1141
P1140
P1139
P1138
P1137
P1136
P1135
P1134
P1133
P1132
P6720
P6235
P11945
P5850
P5026
P13207
P12732
P12466
Atom OXT of residue 129
P7993
Atom CD2 of residue 129
Atom CD1 of residue 129
Atom CG of residue 129
Atom O of residue 129
Atom CA of residue 129
LEU
Atom NH2 of residue 128
Atom NH1 of residue 128
Atom NE of residue 128
Atom CB of residue 128
Atom C of residue 128
Atom N of residue 128
Atom SG of residue 127
Atom CB of residue 127
Atom CA of residue 127
Atom N of residue 127
Atom O of residue 126
Atom CA of residue 126
Atom N of residue 126
Atom NH1 of residue 125
Atom NE of residue 125
Atom CG of residue 125
Atom O of residue 125
ARG
Atom CD1 of residue 124
Atom CG2 of residue 124
Atom CG1 of residue 124
Atom CB of residue 124
P8114
Atom O of residue 124
Atom C of residue 124
Atom CA of residue 124
P8111
ILE
Atom N of residue 124
Atom CH2 of residue 123
Atom CZ2 of residue 123
Atom CE2 of residue 123
Atom NE1 of residue 123
Atom CB of residue 123
Atom O of residue 123
TRP
Atom OE1 of residue 121
Atom CA of residue 121
GLN
Atom N of residue 121
P8450
Atom CG1 of residue 120
Atom CB of residue 120
P8447
Atom C of residue 120
VAL
P8444
Atom N of residue 120
Atom OD2 of residue 119
Atom C of residue 119
Atom CA of residue 119
Atom N of residue 119
Atom CB of residue 118
Atom O of residue 118
THR
Atom CA of residue 117
GLY
Atom NZ of residue 116
Atom CE of residue 116
Atom CD of residue 116
Atom CB of residue 116
Atom C of residue 116
Atom N of residue 116
Atom O of residue 115
Atom C of residue 115
CYS
Atom N of residue 115
Atom NH1 of residue 114
Atom CZ of residue 114
Atom CD of residue 114
Atom O of residue 114
Atom C of residue 114
Atom CA of residue 114
ARG
Atom N of residue 114
Atom ND2 of residue 113
Atom OD1 of residue 113
Atom CG of residue 113
Atom CB of residue 113
P5347
Atom O of residue 113
Atom C of residue 113
Atom NH2 of residue 112
Atom NH1 of residue 112
Atom NE of residue 112
Atom CD of residue 112
P8886
Atom CB of residue 112
Atom C of residue 112
Atom N of residue 112
Atom CH2 of residue 111
Atom CZ3 of residue 111
Atom CZ2 of residue 111
Atom CE3 of residue 111
Atom CB of residue 111
P5446
Atom O of residue 111
Atom C of residue 111
Atom CA of residue 111
TRP
Atom N of residue 111
Atom CB of residue 110
Atom O of residue 110
Atom C of residue 110
Atom CA of residue 110
Atom N of residue 110
Atom CG1 of residue 109
Atom CB of residue 109
Atom O of residue 109
Atom C of residue 109
Atom CA of residue 109
VAL
Atom N of residue 109
Atom CZ3 of residue 108
Atom CE3 of residue 108
Atom CE2 of residue 108
Atom NE1 of residue 108
Atom CD2 of residue 108
Atom CD1 of residue 108
Atom CG of residue 108
P5388
Atom CB of residue 108
Atom O of residue 108
Atom C of residue 108
TRP
Atom N of residue 108
Atom O of residue 107
Atom C of residue 107
Atom CA of residue 107
ALA
Atom ND2 of residue 106
Atom OD1 of residue 106
Atom CG of residue 106
Atom CB of residue 106
Atom O of residue 106
Atom C of residue 106
Atom CA of residue 106
ASN
Atom N of residue 106
Atom CE of residue 105
Atom SD of residue 105
P5432
Atom CG of residue 105
Atom CB of residue 105
Atom CA of residue 105
MET
Atom CA of residue 104
GLY
Atom CB of residue 103
Atom C of residue 103
Atom CA of residue 103
Atom N of residue 103
Atom O of residue 102
Atom CA of residue 102
GLY
Atom OD2 of residue 101
Atom CB of residue 101
Atom O of residue 101
Atom C of residue 101
ASP
Atom N of residue 101
Atom CB of residue 100
Atom O of residue 100
Atom CA of residue 100
SER
Atom CG2 of residue 99
Atom CG1 of residue 99
Atom CB of residue 99
Atom C of residue 99
Atom N of residue 99
Atom CD1 of residue 98
Atom CG1 of residue 98
Atom CB of residue 98
Atom C of residue 98
Atom CA of residue 98
ILE
Atom N of residue 98
Atom NZ of residue 97
Atom CE of residue 97
Atom CD of residue 97
Atom CG of residue 97
Atom CB of residue 97
Atom O of residue 97
LYS
Atom N of residue 97
P5490
Atom CE of residue 96
Atom CB of residue 96
Atom O of residue 96
Atom C of residue 96
Atom CA of residue 96
LYS
Atom N of residue 96
Atom CB of residue 95
Atom O of residue 95
Atom C of residue 95
ALA
Atom N of residue 95
Atom CB of residue 94
Atom CA of residue 94
Atom ND2 of residue 93
Atom OD1 of residue 93
Atom CB of residue 93
Atom O of residue 93
Atom C of residue 93
Atom CA of residue 93
ASN
P11321
Atom N of residue 93
Atom CG1 of residue 92
Atom CB of residue 92
Atom O of residue 92
Atom CA of residue 92
VAL
Atom OG of residue 91
Atom C of residue 91
P2960
Atom CA of residue 91
SER
Atom CB of residue 90
Atom O of residue 90
Atom C of residue 90
Atom N of residue 90
Atom CG2 of residue 89
Atom OG1 of residue 89
P2989
Atom CB of residue 89
Atom O of residue 89
Atom C of residue 89
Atom CA of residue 89
THR
Atom N of residue 89
Atom CD1 of residue 88
Atom CG1 of residue 88
Atom CB of residue 88
Atom O of residue 88
Atom C of residue 88
ILE
Atom N of residue 88
Atom CB of residue 87
Atom O of residue 87
Atom CA of residue 87
ASP
Atom CB of residue 86
Atom O of residue 86
Atom C of residue 86
Atom CA of residue 86
SER
Atom N of residue 86
SER
Atom N of residue 85
Atom CD2 of residue 84
Atom CD1 of residue 84
Atom C of residue 84
Atom CA of residue 84
Atom N of residue 84
Atom CD2 of residue 83
Atom CB of residue 83
Atom C of residue 82
Atom CA of residue 82
Atom N of residue 82
Atom OG of residue 81
Atom CB of residue 81
Atom O of residue 81
Atom C of residue 81
Atom CA of residue 81
SER
Atom N of residue 81
P8518
CYS
Atom CB of residue 79
Atom CA of residue 79
PRO
Atom N of residue 79
Atom CD1 of residue 78
Atom CG2 of residue 78
Atom CG1 of residue 78
Atom CB of residue 78
Atom C of residue 78
Atom N of residue 78
Atom ND2 of residue 77
P11250
Atom CB of residue 77
Atom C of residue 77
Atom N of residue 77
Atom SG of residue 76
Atom CB of residue 76
Atom O of residue 76
Atom C of residue 76
Atom CA of residue 76
Atom N of residue 76
Atom CD1 of residue 75
Atom CG of residue 75
P11233
Atom CB of residue 75
Atom C of residue 75
Atom CA of residue 75
Atom N of residue 75
Atom ND2 of residue 74
Atom OD1 of residue 74
Atom CG of residue 74
Atom CB of residue 74
Atom CA of residue 74
Atom NH2 of residue 73
Atom NE of residue 73
Atom CD of residue 73
Atom CG of residue 73
Atom CB of residue 73
Atom C of residue 72
Atom CA of residue 72
Atom N of residue 72
P7901
Atom O of residue 71
Atom C of residue 71
P7898
GLY
Atom N of residue 71
Atom CG of residue 70
Atom O of residue 70
Atom CA of residue 70
PRO
Atom CG2 of residue 69
Atom CB of residue 69
Atom C of residue 69
Atom N of residue 69
P8871
Atom NH2 of residue 68
Atom NH1 of residue 68
Atom CG of residue 68
Atom CB of residue 68
Atom O of residue 68
Atom C of residue 68
Atom CA of residue 68
ARG
Atom N of residue 68
Atom C of residue 67
Atom CA of residue 67
GLY
Atom N of residue 67
Atom OD1 of residue 66
Atom CG of residue 66
Atom O of residue 66
Atom C of residue 66
ASP
P8237
Atom N of residue 66
Atom OD1 of residue 65
Atom CG of residue 65
Atom O of residue 65
Atom C of residue 65
Atom CA of residue 65
ASN
Atom N of residue 65
Atom O of residue 64
P8223
Atom C of residue 64
Atom CA of residue 64
CYS
Atom CH2 of residue 63
Atom CZ3 of residue 63
Atom CZ2 of residue 63
Atom CE3 of residue 63
Atom CE2 of residue 63
Atom NE1 of residue 63
Atom CD1 of residue 63
Atom CG of residue 63
Atom O of residue 63
Atom C of residue 63
Atom CA of residue 63
TRP
Atom N of residue 63
Atom CH2 of residue 62
Atom CZ3 of residue 62
Atom CZ2 of residue 62
Atom CE2 of residue 62
Atom NE1 of residue 62
Atom CD2 of residue 62
Atom CG of residue 62
Atom CB of residue 62
Atom O of residue 62
Atom C of residue 62
P8339
Atom CA of residue 62
TRP
Atom N of residue 62
Atom NH2 of residue 61
Atom NH1 of residue 61
Atom NE of residue 61
Atom CD of residue 61
Atom CG of residue 61
Atom O of residue 61
Atom C of residue 61
Atom CA of residue 61
Atom OG of residue 60
P8322
Atom CB of residue 60
Atom O of residue 60
SER
Atom ND2 of residue 59
Atom OD1 of residue 59
Atom CG of residue 59
Atom CB of residue 59
Atom C of residue 59
Atom CA of residue 59
Atom N of residue 59
Atom CG1 of residue 58
Atom O of residue 58
Atom C of residue 58
Atom CA of residue 58
ILE
Atom NE2 of residue 57
Atom OE1 of residue 57
Atom CA of residue 57
Atom N of residue 57
Atom CD1 of residue 56
Atom CG of residue 56
Atom CB of residue 56
P8279
Atom O of residue 56
LEU
Atom CD1 of residue 55
Atom CG2 of residue 55
Atom C of residue 55
Atom CA of residue 55
ILE
Atom N of residue 55
Atom CA of residue 54
Atom OH of residue 53
Atom CE2 of residue 53
Atom CD1 of residue 53
Atom CG of residue 53
Atom CB of residue 53
Atom O of residue 53
Atom C of residue 53
Atom CA of residue 53
P11434
TYR
Atom OD2 of residue 52
Atom OD1 of residue 52
Atom CG of residue 52
Atom O of residue 52
Atom CA of residue 52
ASP
Atom CG2 of residue 51
Atom OG1 of residue 51
Atom O of residue 51
Atom C of residue 51
Atom CA of residue 51
Atom OG of residue 50
Atom O of residue 50
P3050
Atom CA of residue 50
SER
Atom O of residue 49
P11413
Atom C of residue 49
Atom CA of residue 49
P3045
GLY
Atom N of residue 49
Atom OD2 of residue 48
P3041
Atom CG of residue 48
P3040
Atom CB of residue 48
Atom O of residue 48
ASP
Atom N of residue 48
Atom CG2 of residue 47
Atom CB of residue 47
Atom O of residue 47
Atom C of residue 47
THR
Atom N of residue 47
Atom OD1 of residue 46
Atom CB of residue 46
Atom C of residue 46
ASN
P3019
Atom N of residue 46
P3018
Atom NH2 of residue 45
Atom NH1 of residue 45
Atom CZ of residue 45
Atom NE of residue 45
P11366
P3014
Atom CD of residue 45
Atom CG of residue 45
Atom CB of residue 45
Atom O of residue 45
Atom CA of residue 45
Atom ND2 of residue 44
Atom OD1 of residue 44
Atom CG of residue 44
Atom CB of residue 44
Atom CG2 of residue 43
Atom OG1 of residue 43
Atom O of residue 43
P11288
Atom CA of residue 43
THR
Atom O of residue 42
Atom C of residue 42
Atom CA of residue 42
ALA
Atom NE2 of residue 41
Atom OE1 of residue 41
Atom CG of residue 41
Atom C of residue 41
Atom N of residue 41
Atom CG2 of residue 40
Atom OG1 of residue 40
P8258
Atom CB of residue 40
Atom O of residue 40
Atom C of residue 40
Atom CA of residue 40
THR
Atom N of residue 40
Atom ND2 of residue 39
Atom OD1 of residue 39
Atom CB of residue 39
Atom O of residue 39
Atom CA of residue 39
Atom N of residue 39
Atom CZ of residue 38
Atom CE2 of residue 38
Atom CE1 of residue 38
Atom CD2 of residue 38
Atom CD1 of residue 38
Atom CB of residue 38
Atom O of residue 38
Atom ND2 of residue 37
Atom OD1 of residue 37
Atom CG of residue 37
Atom O of residue 37
P8852
Atom CA of residue 37
P8849
Atom OG of residue 36
Atom C of residue 36
Atom N of residue 36
Atom CG of residue 35
Atom O of residue 35
Atom C of residue 35
GLU
Atom N of residue 35
Atom CZ of residue 34
Atom CE2 of residue 34
Atom CE1 of residue 34
Atom CD1 of residue 34
Atom CG of residue 34
Atom O of residue 34
Atom CA of residue 34
PHE
Atom N of residue 34
Atom NZ of residue 33
Atom CE of residue 33
Atom CD of residue 33
Atom CG of residue 33
Atom CB of residue 33
Atom C of residue 33
LYS
Atom N of residue 33
Atom O of residue 32
Atom C of residue 32
Atom CA of residue 32
ALA
Atom N of residue 32
Atom O of residue 31
Atom C of residue 31
ALA
Atom N of residue 31
Atom SG of residue 30
P8200
Atom CB of residue 30
Atom C of residue 30
Atom N of residue 30
Atom CB of residue 29
Atom N of residue 29
Atom CH2 of residue 28
Atom CE3 of residue 28
Atom CE2 of residue 28
Atom NE1 of residue 28
Atom CD2 of residue 28
Atom CD1 of residue 28
Atom CG of residue 28
Atom O of residue 28
Atom C of residue 28
Atom CA of residue 28
Atom OD1 of residue 27
Atom CG of residue 27
Atom CB of residue 27
Atom O of residue 27
Atom CA of residue 27
P8816
Atom N of residue 27
P3095
Atom C of residue 26
GLY
Atom N of residue 26
Atom CD1 of residue 25
Atom CB of residue 25
Atom C of residue 25
Atom CA of residue 25
LEU
Atom N of residue 25
Atom OG of residue 24
P5412
Atom CB of residue 24
Atom CA of residue 24
Atom N of residue 24
Atom OH of residue 23
Atom CE2 of residue 23
Atom CE1 of residue 23
Atom CD1 of residue 23
Atom CA of residue 23
Atom O of residue 22
P8800
Atom CA of residue 22
Atom N of residue 22
Atom NH2 of residue 21
Atom CZ of residue 21
Atom CD of residue 21
Atom CG of residue 21
Atom CB of residue 21
Atom O of residue 21
Atom C of residue 21
P11282
Atom CZ of residue 20
Atom CE1 of residue 20
Atom CD1 of residue 20
P8545
Atom CG of residue 20
Atom O of residue 20
Atom C of residue 20
Atom CA of residue 20
TYR
Atom N of residue 20
Atom ND2 of residue 19
Atom OD1 of residue 19
Atom O of residue 19
ASN
Atom N of residue 19
Atom O of residue 18
Atom C of residue 18
Atom CA of residue 18
ASP
Atom N of residue 18
Atom CG of residue 17
Atom O of residue 17
Atom C of residue 17
Atom CA of residue 17
LEU
Atom O of residue 16
Atom CA of residue 16
GLY
Atom CE1 of residue 15
Atom CD2 of residue 15
Atom ND1 of residue 15
Atom CG of residue 15
Atom CB of residue 15
Atom C of residue 15
Atom CA of residue 15
HIS
Atom N of residue 15
Atom NH2 of residue 14
Atom NH1 of residue 14
Atom CZ of residue 14
Atom CD of residue 14
Atom CG of residue 14
Atom CB of residue 14
Atom O of residue 14
Atom C of residue 14
ARG
Atom N of residue 14
Atom NZ of residue 13
Atom CD of residue 13
Atom CG of residue 13
Atom CB of residue 13
Atom N of residue 13
Atom CE of residue 12
Atom SD of residue 12
Atom CG of residue 12
Atom C of residue 12
MET
Atom O of residue 11
ALA
Atom N of residue 11
Atom CB of residue 10
ALA
Atom N of residue 10
Atom O of residue 9
Atom C of residue 9
Atom CD2 of residue 8
Atom CG of residue 8
Atom C of residue 8
Atom CA of residue 8
Atom N of residue 8
Atom OE2 of residue 7
Atom OE1 of residue 7
Atom CD of residue 7
Atom O of residue 7
Atom CA of residue 7
Atom SG of residue 6
P8584
Atom CB of residue 6
Atom O of residue 6
Atom C of residue 6
CYS
Atom NH2 of residue 5
Atom NH1 of residue 5
Atom CZ of residue 5
Atom NE of residue 5
Atom CD of residue 5
Atom CG of residue 5
Atom CB of residue 5
Atom C of residue 5
P2953
ARG
Atom N of residue 5
Atom O of residue 4
Atom C of residue 4
Atom CA of residue 4
Atom N of residue 4
P8590
Atom CZ of residue 3
Atom CE2 of residue 3
Atom CE1 of residue 3
Atom CD1 of residue 3
Atom CB of residue 3
Atom C of residue 3
Atom CA of residue 3
Atom CG2 of residue 2
Atom CB of residue 2
Atom O of residue 2
Atom N of residue 2
Atom CE of residue 1
Atom CD of residue 1
Atom O of residue 1
Atom C of residue 1
Atom CA of residue 1
LYS
Chain A
PairScore 13
P0
phys
PairsRestraint 12
MovedSingletonContainer10
ClosePairContainer
GridCPF
ListSingletonContainer588
UnaryFunction33
DihedralSingletonScore10
AngleSingletonScore10
P8561
P8559
P8558
P8557
P8556
P8555
Atom O of residue 67
P8554
P8553
P8551
P8548
P8543
P8542
P8541
P8537
P8536
P8535
P8534
P8532
P8530
P8529
P8526
P8525
P8524
P8523
P8522
P8521
P8520
P8519
P8517
P8515
P8514
P8513
P8512
P8511
P8510
P8509
P8508
P8507
P8506
P8505
P8503
P8502
P8501
P8498
P8496
P8495
P8491
P8489
P8488
P8487
P8485
P8483
P8482
P8481
P8480
P8478
P8477
P8476
P8474
P8473
P8472
P8468
P8467
P8466
P8464
P8463
P8460
P8459
P8458
P8456
P8455
P8454
P8453
P8452
P8451
P8450
P8446
P8444
P8443
P8438
P8437
P8436
P8435
P8434
P8432
P8431
P8430
P8429
P8428
P8427
P8425
P8424
P8419
P8418
P8417
P8416
P8414
P8411
P8410
P8612
P8409
P8610
P8408
P8407
P8403
P8402
P8400
P8399
P8398
P8396
P8394
P8393
P8592
P8391
P8388
P8387
P8386
P8385
P8384
P8382
P8381
P8379
P8377
P8374
P8373
P8372
P8371
P8367
P8364
P8363
P8362
P8358
P8357
P8355
P8354
P8353
P8550
P8352
P8548
P8351
P8349
P8348
P8347
P8345
P8344
P8342
P8341
P8340
P8339
P8338
P8337
P8336
P8335
P8334
P8333
P8528
P8332
P8329
P8324
P8323
P8322
P8320
P8319
P8318
Atom O of residue 79
P8317
P8316
P8315
P8509
P8314
P8313
P8310
P8306
P8303
P8302
P8301
P8300
P8299
P8297
P8296
P8293
P8292
P8291
P8487
P8290
P8485
P8289
P8288
P8287
P8286
P8285
P8479
P8283
P8282
P8281
P8280
P8279
P8278
P8277
P8275
P8273
P8272
P8271
P8270
P8269
P8268
P8265
P8263
P8261
P8260
P8258
P8255
P8254
P8253
P8445
P8252
P8251
P8249
P8248
P8247
P8246
P8438
P8245
P8436
P8244
P8243
P8241
P8240
P8239
P8238
P8236
P8235
P8234
P8233
P8232
P8216
P8215
P8213
P8212
P1675
P8211
P1672
P8208
P1671
P8207
P1670
P8206
P8205
P8204
P8203
P1666
P8202
P1665
P8201
P8200
P8198
P8197
P8196
P1661
P8194
P1660
P8193
P8142
P8141
P8140
P1603
P8138
P1602
P8137
P1601
P8136
P1600
P8135
P1599
P8134
P1598
P8133
P1597
P8132
P1596
P8131
P8130
P8129
P8128
P8127
P8126
P8125
P8124
P8123
P8122
P8121
P8120
P8119
P8118
P8117
P8116
P8115
P8114
P8113
P8112
P8111
P8109
P8108
P8107
P8098
P8097
P8092
P8091
P8090
P8089
P8088
P8086
P8034
P8033
P8026
P8016
P8015
P8014
P8013
P8011
P8010
P8009
P8008
P8007
P8006
P8005
P8004
P8003
P8001
P8000
P7999
P7998
P7996
P7995
P7994
P7993
P7992
P7991
P7988
P1459
P7985
P1458
P7984
P7983
P7982
P7981
P7980
P7979
P7978
P7977
P7976
P7975
P7974
P7973
P7971
P7970
P7969
P7968
P7967
P7966
P7965
P7964
P7963
P7962
P7961
P7959
P7958
P7957
P7955
P7954
P7953
P7952
P7951
P7950
P7948
P7947
P1421
P7946
P1420
P7945
P7944
P7943
P7942
P7941
P7940
P7939
P7938
P7936
P7935
P7934
P7933
P7932
P7931
P7930
P7929
P7928
P7927
P7926
P7924
P7923
P7921
P7920
P7919
P7918
P7917
P7915
P7914
P7913
P7912
P7911
P7910
P7909
P7908
P7906
P7905
P7904
P7903
P7902
P7901
P7900
P7899
P7898
P7897
P7896
P7895
P7893
P7891
P7890
P7889
P7888
P7887
P7886
P7885
P7884
P7882
P7880
P7879
P7878
P7877
P7876
P7875
AngleSingletonScore11
P7874
P7873
P7871
P7869
P7868
P7867
P7866
P7865
P7864
P7863
P7862
P7861
P7860
P7859
P7857
P7855
P7853
P7852
P7851
P7850
P7849
P7848
P7847
P7846
P7845
P7844
P7842
P7840
P7838
P7837
P7836
P7835
P7834
P7833
P7832
P7831
P7830
P7829
P7828
P7827
P7826
P7767
P7766
P7765
P7764
P7763
P7761
P7760
P7759
P7758
P7757
P7756
P7755
P7754
P7753
P7752
P7751
P7750
P7745
P7730
P7728
P7727
P7726
P7725
P7724
P7723
P7722
P7721
P7720
P7719
P7718
P7717
P7716
P7715
P7713
P7712
P7711
P7710
P7708
P7707
P7704
P7703
P7701
P7697
P7695
P7694
P7693
P7692
P7690
P7689
P7686
P7685
P7684
P7683
P7682
P7681
P7680
P7679
P7677
P7676
P7675
P7674
P7673
P7672
P7671
P7670
P7669
P7668
P7666
P7665
P7664
P7663
P7662
P7661
P7660
P7659
P7656
P7654
P7653
P7651
P7650
P7648
P7647
P7646
P7645
P7644
P7643
P7642
P7641
P7640
P7639
P7638
P7637
P7636
P7635
P7634
P7633
P7631
P7630
P7628
P7627
P7626
P7625
P7624
P7623
P7621
P7620
P7619
P7618
P7617
P7616
P7614
P7611
P7610
P7608
P7605
P7604
P7603
P7602
P7601
P7600
P7599
P7598
P7597
P7596
P7595
P7594
P7593
P7592
P7591
P7590
P7589
P7588
P7587
P7585
P7584
P7583
P7582
P7581
P7580
P7579
P7578
P7577
P7576
P7575
P7574
P7573
P7572
P7571
P7570
P7569
P7568
P7567
P7565
P7564
P7563
P7562
P7561
P7560
P7559
P7557
P7556
P7554
P7553
P7551
P7550
P7548
P7546
P7538
P7536
P7534
P7532
P7531
P7530
P7528
P7527
P7526
P7525
P7524
P7523
P7522
P7521
P7520
P7518
P7517
P7516
P7514
P7513
P7511
P7510
P7509
P7508
P7505
P7504
P7503
P7502
P7501
P7500
P7498
P7497
P7462
P7461
P7459
P7458
P7457
P7456
P7455
P7454
P7453
P7452
P7451
P7449
P7448
P7447
P7446
P7445
P7444
P7443
P7442
P7441
P7440
P7439
P7438
P7437
P7435
P7434
P7433
P7432
P7431
P7430
P7429
P7428
P7427
P7426
P7425
P7424
P7422
P7421
P7420
P7419
P7417
P7416
P7414
P7413
P7412
P7411
P7410
P7408
P7407
P7405
P7404
P7403
P7402
P7401
P7400
P7399
P7398
P7397
P7395
P7394
P7392
P7391
P7390
P7389
P7388
P7387
P7386
P7384
P7383
P7382
P7381
P7380
P7379
P7378
P7377
P7376
P7375
P7374
P7370
P7369
P7368
P7366
P7365
P7364
P7362
P7361
P7360
P7359
P7358
P7357
P7356
P7355
P7354
P7352
P7350
P7348
P7347
P7346
P7345
P7344
P7343
P7341
P7340
P7339
P7338
P7337
P7336
P7335
P7334
P7333
P7332
P7331
P7330
P7329
P7328
P7326
P7325
P7324
P7323
P7322
P7321
P7320
P7319
P7318
P7317
P7316
P7314
P7313
P7312
P7311
P7310
P7308
P7307
P7305
P7303
P7302
P7301
P7300
P7299
P7298
P7297
P7296
P7295
P7294
P7293
P7292
P7291
P7290
P7289
P7287
P7286
P7285
P7283
P7282
P7281
P7280
P7279
P7278
P7277
P7276
P7274
P7273
P7272
P7271
P7270
P7269
P7268
P7267
P7266
P7265
P7263
P7261
P7260
P7259
P7258
P7257
P7256
P7255
P7254
P7253
P7252
P7251
P7250
P7249
P7248
P7247
P7243
P7242
P7241
P7240
P7239
P7238
P7237
P7236
P7235
P7234
P7233
P7232
P7231
P7229
P7228
P7227
P7225
P7224
P7223
P7222
P7221
P7220
P7219
P7218
P7217
P7216
P7215
P7213
P7211
P7210
P7208
P7207
P7206
P7205
P7204
P7203
P7202
P7201
P7200
P7199
P7197
P7196
P7195
P7194
P7193
P7192
P7191
P7190
P7189
P7188
P7187
P7186
P7185
P7182
P7181
P7179
P7178
P7176
P7175
P7174
P7172
P7171
P7170
P7169
P7165
P7164
P7163
P7162
P7161
P7160
P7159
P7157
P7156
P7154
P7153
P7152
P7151
P7150
P7149
P7148
P7147
P7146
P7145
P7144
P7143
P7142
P7141
P7140
P7139
P7138
P7136
P7135
P7134
P7095
P7094
P7093
P7040
P7039
P7038
P7037
P7036
P7035
P7034
P7033
P7032
P7031
P7030
P7028
P7027
P7026
P7024
P7023
P7022
P7021
P7019
P7018
P7017
P7016
P7015
P7012
P7011
P7010
P7009
P7008
P7007
P7006
P7005
P7004
P7003
P7002
P7001
P7000
P6998
P6997
P6994
P6993
P6992
P6991
P6989
P6988
P6987
P6986
P6985
P6983
P6982
P6981
P6980
P6979
P6978
P6977
P6976
P6975
P6974
P6973
P6972
P6971
P6968
P6967
P6966
P6965
P6964
P6963
P6962
P6961
P6960
P6959
P6957
P6956
P6955
P1769
P6954
P132
P6952
P6950
P6949
P6948
P6947
P6946
P6944
P6941
P6940
P6935
P6932
P6930
P6929
P6928
P6927
P6926
P1741
P6924
P6923
P6922
P6920
P6918
P6914
P6911
P1727
P6909
P6908
P6903
P6902
P6901
P115
Atom HB2 of residue 49
P6900
P6899
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Atom H of residue 49
P6898
P6897
P6896
P6895
P6893
P6889
P6888
P6887
P6885
P6884
P6883
Atom HE2 of residue 48
P6882
P6881
P1699
P6879
Atom HB2 of residue 48
P6875
P6874
Atom H of residue 48
P6873
P6872
P6871
P6870
P6869
P6868
P6867
P6866
P6865
P1685
P6864
P6862
P6859
P6858
P6856
P6855
P6853
P6852
P6851
P6850
P1671
P6849
P6848
P6847
P6845
P6844
P5044
P6842
P6841
P6839
P6838
P6837
P6836
P6833
P6832
P6827
P6826
Atom CB of residue 45
P6824
P6823
P6820
Atom HD12 of residue 44
P6817
P6814
P6813
P6812
P6811
Atom HG12 of residue 44
P6810
P6809
P6806
P1629
P6804
P6802
P6800
P6798
P6797
Atom HD23 of residue 43
P6796
P6795
P6791
P6790
P1615
P6789
P6788
P6787
P6784
P6783
P6780
P6779
P6778
P6777
P6775
P6774
P6771
P74
P6769
P6768
P6767
P6766
P6763
P6762
P71
P6761
P6760
P6759
P1586
P6758
P6756
P6752
P6751
P6749
P6747
P6745
P6744
P1572
P6743
P6742
P6739
P6738
P6737
P6736
P6735
P6734
MD 4
P6733
P6731
P6730
P4930
P6728
P6727
P6724
P6723
P6722
P58
P6720
ListSingletonContainer493
P6719
P6717
P6716
P1544
P6713
P6712
P6711
P6707
P6706
P6705
P6703
P6702
P4865
P6665
P4863
P70
P6663
P4862
P6662
Atom C of residue 42
P4861
P6661
P4860
P6660
P4859
P6659
P4858
P6658
P4856
P6656
P6622
P4821
P6620
Atom C of residue 34
P6619
P6617
Atom N of residue 34
P6616
P8350
P6615
P6578
P6576
P6507
P6506
P6503
P6502
P4707
P6501
P4705
P6499
Atom CA of residue 28
P6498
P4703
P6497
P4701
P6495
P4700
P6494
P4699
P6493
P6492
P6490
P6489
P6487
P6486
P6485
P8417
P6484
P6483
P6482
P6480
Atom CD of residue 27
P6479
P6478
P6477
P6472
P6471
P6468
P8400
P6467
P6466
P8399
P6465
P6464
P6463
P6461
P8394
P6460
P6457
P6456
P6455
P6454
P6453
P6451
P169
P6450
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P6448
P6445
P6443
P6440
P5339
P6436
P6433
P5326
P6426
P5325
P6425
Atom O of residue 24
P6424
P8459
P6423
P6422
GLU
P6421
P6420
P6419
P6418
P6417
P6416
P6415
P6414
Atom O of residue 103
P6412
P6411
Atom HB of residue 23
P6410
P6408
P6407
P6405
P6403
P6402
P6401
P6400
P6399
P6397
P6396
Atom CA of residue 101
P6395
P6393
Atom OG of residue 100
P6392
P6391
P6390
P6389
ListSingletonContainer412
P6387
P6386
P8318
P6385
P6382
P6381
Atom HB2 of residue 21
P6380
P6379
P6377
P6374
P6371
P8301
P6367
P8294
P6363
P6362
GridCPF
P8293
P6361
P8287
P6355
P6354
P6351
Atom HB3 of residue 19
P6350
P6348
P6346
P4551
Atom N of residue 10
P6345
P6344
P6342
P6340
P6337
P6336
Atom CG2 of residue 9
P6335
P6334
P6332
P6330
P6329
P6322
P6320
P6319
P6312
P6311
P6310
P6306
P6305
Atom CA of residue 8
P6304
P6303
P6302
P6301
P6300
P6298
P6297
P6296
P6291
P6289
P6288
P6286
P6283
P6280
P6279
P6276
P8556
P6275
P6273
P6272
P6271
P6270
P6269
P6268
P6266
P6265
P6264
P6263
P6259
P6257
P6255
P6254
P6253
P6252
P6251
P6248
P6224
P4430
P1363
P6223
P6222
P6219
P8502
P6218
P6214
P6213
P6211
P6210
P6208
P6207
P1346
P6205
P6204
P5527
P6162
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P5525
P6160
P3
P5524
P6159
P5523
P6158
P5519
P6154
P5518
P6153
P5516
P1956
P6151
P5515
P6150
P6149
P6148
P6145
Atom HG23 of residue 14
P6144
P6142
P6141
P6139
P6138
P6135
P6133
P6132
P6130
P6129
P6128
P6127
P5475
P6110
P2487
P5474
P6109
Atom OD2 of residue 21
P5473
P6108
P5472
P6107
P5470
P6105
P5469
P6104
P5466
P6101
P5464
P6099
P5462
P6097
P6095
Atom H of residue 20
P6094
P6092
P6091
P6090
P6087
P6084
P6083
P6082
P6081
P2461
P6080
P6079
P6078
P2458
P6077
Atom HB3 of residue 1
P6076
P6075
P6074
P6073
P6072
P6071
P6066
P4272
P6065
P6064
P6063
P6039
P6037
P6035
P2419
P6034
P6033
P6032
P6031
P6030
Atom CZ of residue 72
P6029
P6028
P6027
P6026
P6025
P6024
P6023
P6022
P6021
P6020
P6019
P6018
P6017
P6016
P6015
P6013
P6012
P6010
P6009
P6008
P6007
P6006
P2393
P6005
P6004
P6003
P2390
P6002
P6001
P5998
P5997
P5996
P5995
P5994
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P5992
P5988
Atom HG21 of residue 5
P5987
P5986
P5985
P5983
P5982
P5980
P5978
Atom HB2 of residue 32
P5977
P5974
P5973
P5972
P5971
P2361
P5970
P5969
P5968
P5967
P5966
P5965
P5964
P5962
P8533
P5960
P5959
P5956
P5955
P5954
P5951
P4848
P5950
P5948
P5947
P5945
P5944
P8517
P5942
P5941
P5938
P5937
P8511
P5936
P5935
P5933
P5930
P5924
P8498
P5922
P5921
P5919
P8494
P5918
P5914
P5913
P4812
P5912
P5910
P5907
P5905
P5904
P4803
P5903
P5902
P5900
P2297
P5899
P5898
P5893
P5892
P5891
P2284
P5885
P5884
P5883
P5882
P5881
P5880
P5879
P5878
P5875
P7765
P5874
P8447
P5868
P2268
P5867
P5865
P5863
P5862
P5861
P5860
P5858
P7748
P5857
P7745
P5854
P5852
P5850
P5849
P5848
P5847
P5846
P2248
P5845
P5843
P2245
P5842
P5841
P5839
P5838
P5837
P5836
P5835
P5834
P5832
P5829
P5828
P5827
P5823
P5821
P5818
P7708
P5817
P7706
P5815
P7705
P5814
P2219
P7704
P5813
P7702
P5811
P5809
P5808
P5807
P8387
P7696
P5805
P5802
P5801
P5760
P5758
Atom NZ of residue 29
P5756
P5755
P5754
P5753
P5752
P5750
P1963
P5749
P5748
P5747
P5744
P5741
P5740
P5738
P5737
P8322
P2149
P5736
P5735
P5734
P5732
P5730
P5725
P5724
P5723
P5722
P5721
P5720
P5719
P5718
P8304
P5717
P8302
P5716
P8296
P5711
P5709
P5708
P1809
P5706
P5703
P5702
P5699
P5697
P5696
Atom HG13 of residue 5
P5695
P5694
P8278
P5693
P1796
P5692
P8277
P5691
P5689
P5688
P5687
P8270
P5684
P5681
P5680
P5679
P5678
P1782
P5677
P5676
P5675
P5674
P5672
P5669
P5667
P5666
P5665
P5664
P1768
P5662
P5660
P5659
P5648
P5646
P7988
P1749
P5642
P3836
P7532
P5641
P7986
P5640
P7530
P3834
P5639
P7984
P2531
P5638
P7983
P5637
P4535
P5634
P5632
P5629
P5628
P7973
P5627
P5626
P5623
P5622
P5621
P5620
P5619
P5617
P5615
P5614
P5613
P2508
P5612
P2505
P5609
P5608
P7498
P5607
P7497
Atom OD1 of residue 25
P5606
P5605
P5602
P5600
P5596
P5594
P5593
P5592
P5591
P5590
P5589
P5588
P5587
P5584
P5583
P5582
P5581
P5579
P5578
P2476
P5577
P5576
P5574
P5573
P5572
P1683
P7462
P5571
P7461
P5570
P5569
P5567
P5564
P5561
P5560
P2460
P5559
P5557
P1669
P5556
P5555
P5552
P5549
P5547
Atom CG of residue 15
P5546
P5544
P5543
P5542
Atom H of residue 13
P1655
P5541
P5538
P5536
P5534
P5533
P5532
P5530
P5529
P5528
P2431
P5527
P5525
P2428
P5524
P5522
P5521
P5519
P5518
P5517
P5515
P5514
P5511
P5509
P5506
P5503
P2408
P5502
P5501
P5500
P5499
P5498
P5497
P1612
P5495
P5493
P5492
P7352
P5461
P5457
P5456
P4836
P5455
P5452
Atom N of residue 13
P5450
P4812
P5447
P5446
P5445
P5444
P5442
P5441
P5439
P5437
P5436
P5435
P5433
P7322
P5431
P5418
P5417
P5339
P5336
P5334
P5332
P2253
P5331
P5330
P5329
P5328
P5327
P5326
P5323
P5319
P5315
P5313
P5312
P5311
P5310
P5307
P2230
P5306
P5305
P5303
P5301
P5300
P5299
P5296
P5294
P1423
P5293
P5292
P5291
P5286
Atom HD13 of residue 15
P5285
P5283
P5282
P5281
P5280
P5279
P1409
P5278
P5276
P5275
P2201
P5274
P5271
P5269
P5268
P5267
P5266
P5265
P5264
P5261
P5260
P3435
P2102
P5241
P3433
P5239
P3431
P5237
P3429
P5235
P3428
P5234
P5215
P5201
P5149
P3342
P5148
P5106
P4892
P4886
P4883
P4882
P4880
P1521
P4879
Atom HB3 of residue 67
P4877
P4876
P4875
P4874
P4873
P2039
P4872
P4871
P6760
P4867
P1511
P6759
P4866
P6758
Atom C of residue 67
P4865
P6757
P4864
P6756
P4863
Atom N of residue 67
P6755
P4862
P6753
P4860
P6752
P2029
P4859
P6747
P4854
P6745
P4852
P1497
Atom CB of residue 66
P6744
P4851
P6743
P4850
P6742
P4849
P2019
P4848
P2017
P4846
P3018
P1470
P4823
P4819
P4818
P4817
P4815
P4814
P1459
P7159
P4812
P4810
P4809
P4808
Atom CD of residue 63
P4801
P4798
P1443
P4796
P4794
P4792
Atom CD2 of residue 8
Atom O of residue 73
P4791
P4786
P4785
P4784
P4782
P1429
Atom N of residue 8
P4781
P4780
P4779
Atom HG2 of residue 72
P4777
P4776
GLN
P4775
P4774
P4773
P4771
P4770
P4769
P4767
Atom CG of residue 72
P1415
P4766
P4765
P4762
P4761
P4760
P4759
P4756
P4755
P86
Atom HG of residue 71
P4752
P4749
P4748
P7092
P4746
P7091
P4745
Atom HB3 of residue 60
P7090
P4744
P7089
P4743
P49
P7088
Atom CD of residue 6
P4742
P7087
Atom C of residue 71
P4741
P7085
P4739
P7083
P4737
P7082
P1387
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P4736
P7081
P4735
P7080
ListSingletonContainer54
P4734
P6623
P7079
P4733
P7078
P4732
P7077
P4731
Atom HH of residue 59
P7076
P4730
P7075
P4729
P7074
P4728
P7073
P4727
P7072
P4726
P7070
P4724
P7068
P56
P4722
P7067
P4721
P7066
P4720
P7065
P1369
P4719
P7064
P4718
P7063
P4717
P7062
P4716
P7061
P4715
P7058
P4712
P7056
P4710
P7055
P4709
P7053
P4707
P7051
P4705
P7050
P1355
Atom NE of residue 72
P4704
P7049
P4703
P7046
P4700
P7045
LEU
P4699
P7044
P4698
P7043
P4697
P4696
P4695
P7038
Atom HD21 of residue 71
P4692
P7037
P4691
Atom HB2 of residue 57
P7036
P4690
P7035
P4689
P7034
P4688
P7033
P4687
P7032
P4686
P7031
P4685
P7030
P4684
P7028
P4682
P7027
P4681
P7026
P4680
P4547
P4546
P4545
Atom CD of residue 49
Atom HE3 of residue 63
P4542
P4540
P4539
P4537
P4536
P4535
P4510
P4509
P4507
Atom O of residue 62
P4506
P4504
P4499
Atom HB1 of residue 46
P4498
P4496
P4495
P4493
P4491
P4488
P4486
P4485
P4484
P4483
P4482
P4481
P4480
P4479
P4477
Atom HG1 of residue 66
P4476
P4473
P4472
P4471
P4470
P4469
P4468
P6356
P4466
P6355
P4465
P6347
P4457
P154
P6346
P4456
P6344
P4454
P6343
P4453
P6342
P4452
P6341
P4451
P6339
P4449
P6338
P151
P4448
ListSingletonContainer309
P6336
P4446
P6331
P4441
Atom CG of residue 72
P6330
P4440
Atom HD12 of residue 43
P6329
P4439
P6328
P4438
P6327
P4437
P6781
P6325
P4435
Atom HA of residue 43
P6324
P4434
P6323
P4433
P6321
P4431
P6320
P4430
P4429
P4428
P6316
P4426
P6315
P4425
P6314
P4424
P6313
P4423
Atom CD2 of residue 71
Atom HH22 of residue 42
P6311
P4421
P6310
P4420
P6309
P4419
Atom HH11 of residue 42
Atom HB2 of residue 57
P6308
P4418
P6307
P4417
P6306
P4416
P6304
P4414
P6303
P4413
Atom H of residue 42
P6302
P4412
P6301
P4411
P6297
P4407
P1319
P6296
P4406
P6295
P4405
P6290
P4400
P6289
P4399
P6286
P4396
P6283
P4393
Atom HB3 of residue 41
P6281
P4391
P6280
P2580
P4390
P6277
P4387
P6275
P4385
Atom HD11 of residue 44
P6272
P4382
Atom C of residue 41
P6270
P4380
Atom H of residue 55
P6269
P4379
P6267
P4377
P6265
P4375
P6263
P4373
P6262
P4372
P6261
P4371
P6260
P4370
P6258
P4368
P4366
P4364
P4363
P4361
P2551
P4359
P4358
Atom HD11 of residue 43
P4357
P4356
P4355
P4354
P4352
Atom O of residue 43
P4346
P4345
P4342
Atom HD2 of residue 38
P4341
Atom H of residue 53
P4340
P4338
P4337
P4334
P4333
P4332
P4331
Atom CA of residue 38
P4329
P4328
Atom N of residue 38
P4327
P4325
Atom HG3 of residue 37
P4324
P4323
P4322
P4321
LYS
P4320
P4319
P4316
P4315
P4313
P4309
P4308
P4306
P4305
P4304
P4303
P4301
P4299
Atom HD12 of residue 50
P4298
P4297
P4294
P4292
P4291
Atom HB3 of residue 40
P4290
P4289
Atom HA3 of residue 35
P4288
Atom HA2 of residue 35
Atom CB of residue 50
P4287
P4286
P4285
P4284
P4283
Atom C of residue 9
P4281
P4280
P4279
P4277
P4276
P4275
P4274
Atom CD of residue 34
P4271
ListSingletonContainer374
P4269
P4267
P4266
Atom CA of residue 49
P4264
Restraint 108
P4263
P4262
P4261
P4254
P202
P4252
Atom HB2 of residue 16
P4251
P4250
Atom H of residue 16
P4249
Atom CD of residue 33
P4246
P4244
P4243
P4242
P4241
P4240
Atom CA of residue 48
P4239
P4238
P4236
P4234
Atom OD1 of residue 32
P4232
P4229
ListSingletonContainer353
P4227
P4226
P4225
Atom HE22 of residue 31
P4223
Atom CB of residue 46
P4222
P4220
P8561
P4218
P4216
P4215
Atom HG23 of residue 14
P4214
P4213
P4207
P4205
P4204
P4202
P4199
P4196
P4195
Atom N of residue 45
P4194
P4192
P4191
P4190
Atom CG2 of residue 30
P4188
P4184
P177
P4182
P4181
P4180
P4178
P4177
P4176
P4175
Atom CA of residue 44
P4174
P4171
P4170
P4168
P4167
P4166
P4165
P4164
P4163
Atom CG of residue 29
Atom OG1 of residue 22
P4162
Atom H of residue 43
P4160
P4159
P4157
P4156
P8501
P4154
P4153
P4152
P4151
P4150
P4149
ListSingletonContainer215
P4146
P8491
P4143
P4142
P4113
P4111
Atom OE1 of residue 41
P4109
P4108
P4107
P4106
P4101
P8459
Atom H of residue 26
P4100
P4099
P2538
P4098
P3714
P3713
P3711
P3064
P3710
P3709
P3707
P2396
P3706
P3705
P3703
P3701
P3700
P3699
P3697
P3696
P3694
P6051
P3693
P6050
P3692
P6048
P3690
P6047
P3689
P6045
P3687
P6044
P3686
P6043
P3685
P6042
P3684
P2375
P6041
P3683
P6039
P3681
P3680
P3678
P3677
P3676
P3675
P3674
P3672
P3671
P3669
P3668
P3667
P7403
P3666
P3664
P3663
P2356
P3662
P3659
P3657
ListSingletonContainer473
P3655
P3654
P3653
P3651
P3649
P3647
P3643
P3641
P3639
P3637
P3634
P3632
P8260
P3628
P3625
P3624
P3623
P3622
P3621
P3620
P3618
P3617
P3615
P3614
P3613
P2311
P3612
P3611
P5513
P3610
P3608
P3607
P3604
P3601
P3599
P2298
P3598
P3596
P3595
P3593
P3592
P6
P3590
P3589
P3588
P3587
P3586
P3584
P3583
P3582
P3581
P2282
P3580
P3579
P3578
P2279
P3577
P3575
P3574
P3573
P3572
P3570
P3569
ListSingletonContainer97
P3567
P3566
P3565
P3564
P3562
P3561
P3532
P3531
P3530
P3528
P2234
P3527
P3526
P3525
P3524
P3523
P3522
P3520
P3519
P3517
P3516
P3515
P3514
P5416
P2221
P3513
P5414
P3511
P5411
P3508
P5410
P3507
P5409
P3506
P5408
P3505
P5407
P3504
P5406
P3503
P5405
P110
P3502
P5404
P53
P3501
P5402
ListSingletonContainer174
P3499
P5401
P3498
P5400
P3497
P5399
P3496
P5398
P2205
P3495
P5397
P3494
P2202
P5395
P3492
P5393
P3490
P5391
P3488
P5390
P3487
P5388
P3485
P5387
P3484
P5386
P3483
P5385
P3482
P5384
P3481
P5383
P102
P3480
P5382
P3479
P5381
P3478
P5379
P3476
P8559
P5377
P3474
P5376
P3473
P5375
P8558
P3472
P5374
P3471
P5373
P3470
P5372
P3469
P5370
P3467
P5367
P3464
P2176
P3463
P3462
P3461
P2173
P3460
P3457
P3454
P8540
P3453
P3452
P3451
P3449
P3448
P8534
P3447
P7184
P3446
P5803
P3445
P89
P3444
P3443
P2157
ListSingletonContainer76
P3442
P3440
P3439
P8526
P3438
P3437
P3435
P3434
P3432
P3431
P3430
P3414
P3382
P3381
P3379
P3377
ListSingletonContainer162
P3375
P3374
P3371
ListSingletonContainer169
P3370
P3369
P3368
P3366
P3364
P3363
P3362
P3361
P66
P3360
P5262
P3359
P3357
P3356
P3355
P7092
P3354
P7091
P3353
P9703
P48
P7088
P3350
P9702
P7087
P3349
P9700
P7085
P3347
P9699
P7084
P3346
P9698
P7083
P3345
P9697
P7082
P3344
P7080
P3342
P7079
P3341
P7078
P3340
P7075
P3337
P7074
P3336
P7073
P3335
P7072
P3334
P7069
P3331
P7067
P3329
P7065
P3327
P7064
P3326
P7060
P3322
P7059
P3321
P7057
P3319
P7056
P3318
P7055
P3317
P0
P7052
P3314
P7050
P8407
P3312
P7049
P3311
P7046
P3308
P7045
P3307
P7044
P8401
P3306
P7043
P3305
P3304
P3303
P3302
P7039
P3301
P7038
P3300
P7037
P3299
P7034
P3296
P7032
P8390
P3294
P9645
P7030
P3292
P7029
P3291
P7027
P3289
P7026
P3288
P7025
P3287
P7024
P3286
P7023
P3285
P7022
P3284
P7020
P3282
P7019
P3281
P7018
P3280
P7017
P3279
P7016
P3278
P7015
P3277
P7014
P3276
P7013
P3275
P7012
P3274
P7011
P3273
P7010
P3272
P7007
P3269
P7005
P3267
P7003
P3265
P7002
P3264
P6999
P3261
P6998
P3260
P3258
P3257
P8354
P3256
P3255
P3254
P3252
P3251
P3250
P3249
P3247
P3244
P3243
P3242
P3241
P5598
P3239
P8335
P3237
P3236
P8334
P3235
P3234
P9585
P3232
P8329
P3230
P3229
P3228
P3227
P3225
P3224
P3222
P3221
P3220
P3219
P3218
P3217
P3216
P3214
P3212
P3211
P3209
P3206
P3205
P3202
P3201
P3198
P3194
P3190
P3189
P3188
P3187
P3186
P3184
P3183
P3182
P3181
P3180
P3179
P3177
P3176
P3175
P3174
P3173
P3172
P3171
P3169
P3168
P2537
P3167
P3166
P3165
P3164
P3162
P3161
P3160
P3159
P3158
P3154
P2524
P3153
P6890
P3152
P3151
P3150
P3149
P3147
P3146
P3145
P3143
P3142
P3141
P3139
P3137
P3136
P3134
P2505
P3132
P3131
P3130
P3129
P3128
P3127
P3126
P3124
P3123
P3122
P3121
P3120
P3119
P3117
P3116
P3115
P3114
P3113
P3112
P3109
P3108
P3105
P3104
P3102
P8547
P3057
P9412
P3056
P3055
P3052
P3051
P3049
P3048
P2428
P3047
P3046
P3044
P3042
P3041
P3040
P4943
P3039
P4941
P3037
P4938
P3034
P4937
P3033
P4935
P3031
P4934
P3030
P4933
P3029
P4931
P3027
P4930
P3026
P4929
P3025
P4928
P3024
P8514
P4927
P3023
P4926
P3022
P4920
P3016
P4919
P2399
P3015
P4918
P3014
P4915
P3011
P4914
P3010
P4913
P3009
P4912
P3008
P4911
P3007
P4910
P3006
P4906
P8495
P3002
P4901
P2383
P2997
P4900
P2996
P4899
P2995
P4898
P2994
P4897
P2993
P4896
P2992
P4895
P2991
P2989
P2985
P8478
P2984
P2982
P2981
P2980
P2978
P5336
P2977
P2976
P2916
P2914
P2306
P2912
P2911
P2909
P2908
P2907
P2906
P2905
P2904
P2902
P2899
P2293
P2898
P2897
P2896
P2895
P2894
P2893
P2892
P2891
P2890
P2889
P2887
P2886
P2882
P2881
P2878
P2274
P2877
P2875
P2874
P2873
P2872
P2871
P2869
P2868
P8218
P2867
P2863
P2862
P2861
P2860
P2859
P2858
P2857
P2856
P2854
P2853
P2852
P2850
P2849
P2846
P2245
P2845
P2844
P2843
P2842
P2841
P2839
P2838
P2837
P2836
P9189
P2835
P9188
P2834
P9187
P2833
P9186
P2832
P9185
P2831
P9183
P2829
P9181
P2229
P2827
P9180
P2826
P9178
P2824
P9177
Atom N of residue 45
P2823
P9176
P2822
P9175
P2821
P9174
Atom HZ1 of residue 6
P2820
P9173
P2819
P9172
Atom HG1 of residue 9
P2818
P9171
P2817
P9169
P2815
P9167
P2216
P2813
P9165
P2811
P9160
P2806
P9158
P2804
P9157
P2803
P2801
P2799
P2797
P2796
P8306
P2794
P2793
P2197
P8305
P2792
P2791
P8141
P2790
P2789
P2785
P2783
P2782
P2779
P2778
P2776
P2775
Atom HA of residue 46
P2774
P2773
P2772
P2770
P9123
P8281
P2769
P2768
P2767
P8274
Atom HD2 of residue 45
P2762
P2761
P2168
P2760
P2759
P2758
P2757
P2755
P2753
P2752
P2750
P8263
P2749
P2747
P2746
P2743
P2739
P2738
P2736
P2735
P2734
P2732
P2730
P2729
P2139
P2728
P2727
P2726
P8241
P2725
Atom OE2 of residue 16
P2723
P2720
P2717
P2716
P2714
P2713
P2711
P2710
P2708
P2707
Atom CG of residue 16
P1830
P2706
P2705
P2704
P2703
P2702
P2700
P1821
P2696
P2695
P2694
P2693
Atom HA2 of residue 75
P2692
P2691
P2690
P2689
P2687
P2685
P2520
GLU
P2683
Atom CD of residue 16
P3
P1807
P2681
P2679
P2678
P2677
P2676
P2675
P9028
P2674
P2673
P2672
P2671
Atom CG2 of residue 5
P2670
P2668
P1779
P4556
P2651
P2638
P2637
P2611
P6351
P2610
P6348
P2607
P6347
P2606
P6346
P2605
P6345
P2604
Atom C of residue 38
P6344
P2603
Atom CA of residue 38
P2449
P6343
P2602
P6342
P2601
P6341
P2600
P6340
P2599
P6339
P2598
P6338
P2597
P6335
P2594
P1727
P6334
P2593
P6333
P2592
P6332
P2591
P6331
P2590
P6330
P2589
P6329
P2588
P6327
P2586
P6325
P2584
P6324
P2583
P2579
P2578
P1711
P2577
P2576
P2575
P2573
P2570
P2569
P2568
P2567
P2566
P1691
P2556
P2555
P2550
P2545
P2542
P2537
P5803
P2535
P2534
P2532
P2531
P8408
P2525
P2524
P2521
P2516
P5781
P4403
P2515
P2513
P5778
P4400
P2512
P2511
P2510
P8390
P2509
P2029
P2506
P2502
P2501
P2499
P2497
P4382
P2496
P2492
P2489
P2486
P2482
P2481
P2479
P2473
P5734
P2472
P2471
P2470
P3885
P2469
P2468
P4350
P2467
P3882
P2466
P4347
P2464
P2463
P2460
P2457
P2456
P2454
P2450
P8323
P5707
P2448
P2441
P2439
P2434
P2433
P2432
P8301
P2428
P2425
P2423
P2422
P2420
P2417
P2415
P2412
P2407
P2404
P2403
P2402
P2400
P2399
P2398
P2395
P2393
P3800
P2392
P3797
P2389
P2388
P2383
P2380
P2379
P2375
P2374
P2373
P2371
P2364
P3768
P2363
P2362
P4233
P2361
P2359
P2356
P2355
P2354
P2347
Atom CD1 of residue 83
P2346
P3747
P2344
P2335
P2330
P2326
P2324
P2323
P2317
P2316
P3715
P2315
P2314
P8174
P4180
P2313
P3712
P2312
Atom CG of residue 121
P2303
P2302
P2299
P2298
P2297
P2295
P2294
Atom CG of residue 128
P2292
P1385
P2287
P8142
P4148
P2284
Atom C of residue 126
P2278
P5519
P2277
P2276
Atom NH2 of residue 125
Atom N of residue 9
P2274
Atom CD of residue 125
P2270
P1353
P2258
P2257
Atom CE3 of residue 123
P5490
P2251
P5487
P2248
P2242
P2241
P2239
P3630
P2238
P2236
P3627
P2235
P2233
Atom CG1 of residue 2
P5469
P2232
P2231
P2229
P2228
P8079
P2227
P2224
P4067
P2221
P1342
P2219
P1325
P2218
P2215
P2210
P3598
P2209
P2203
P8052
P2202
P2200
P5434
P2198
P5428
P2195
P2191
P4032
LYS
P5422
P2189
P2188
P2186
P2183
P8028
P2180
P2179
Atom CD of residue 64
P2178
P2175
P2171
P2170
P2167
P1976
P2165
P5393
P4003
P2163
P3545
P2161
P2159
P3542
P2158
P2155
P2154
P2150
P5372
P3982
P2144
P2142
P2138
P2130
P2128
P2127
P2125
P2124
P2123
P3961
P2121
P2117
P2114
P2112
P2176
P2109
P2108
P8440
P6028
P2096
P2093
P2089
P2087
P6835
P2084
P7835
P2082
P2080
P2078
P2077
P3367
P5213
P2076
P2073
P2070
P2064
P2063
P2061
P2060
P2146
P2055
P2054
P2053
P2050
P7508
P2049
P2048
P2047
P2045
P2044
P2043
P7948
P2042
P2026
P2021
P2020
P2019
P2018
P2013
P7908
P2012
P2006
P2005
P2004
P11574
P2003
P6271
P2002
P2000
P1998
P1997
P8029
P1996
P11564
P1994
P1993
P1991
P1990
P1986
P1980
P1977
P1976
P1974
P1972
P1971
P2235
P1963
P1960
P1958
P1955
P2225
P1953
P1951
P1949
P1947
P1946
P1488
P1945
P1940
P1938
P1936
P1933
P1932
P11712
P1930
P1929
P4115
P1808
P3496
P1803
P1802
P4104
P1801
P1791
P1788
P1786
Atom HB2 of residue 11
P1781
P1780
P1779
P3925
P1778
P1777
MET
P5313
P1776
P3466
P6925
P1775
P1773
P1772
Atom CE2 of residue 59
P1766
P1765
P3451
P1761
P1759
P1752
P3895
P1750
P1749
P5283
P1748
P3436
P1747
P6894
P1746
P1744
P1738
P3880
P1736
P1735
P5268
P1734
P3421
P1733
P1732
P1730
P5253
P1720
P3406
P1719
P1713
P7859
P1711
P3850
P1708
P6848
P1703
Atom OG1 of residue 22
P1702
P7844
P1697
P5222
P3376
P1691
P1320
P1688
P5218
Atom HB3 of residue 54
P1685
Atom H of residue 54
P1682
Atom NH2 of residue 54
P1681
P3820
P1680
P1678
P3361
P1677
P1667
P3805
P1666
P1665
GLY
P3346
P1663
Atom HB2 of residue 52
P1660
phys
P1658
P1657
P1653
P3790
P1652
P1651
P4108
P1650
P3331
P1649
P1646
P1644
P1643
P1637
P1636
P3316
P1635
P1634
P1632
P1629
P1626
Atom HD11 of residue 8
P3760
P1624
P1623
P1622
P3301
P1621
P1620
P5144
P1618
Atom CD1 of residue 8
P1616
P1615
P1612
P1609
P1608
P1606
P5129
P1604
P1602
P7741
P1601
P1588
P7723
P1584
P1583
P1581
P1580
P1577
P1573
P1569
P1
P1567
P1566
P1563
P7694
P1559
P1557
P1555
P1553
P1552
P1549
P7679
P1545
P1541
P1539
P1538
P1531
P7663
P1529
P1527
P3655
P1526
P1517
P1510
P1507
P1503
P1501
P1499
P3625
P1498
P1496
P7626
P1493
P1492
P1487
P1485
P3610
P1484
P1483
P7611
P1479
P1478
P4991
P1475
P1471
P3595
P1470
P7596
P1465
P1464
P1462
P1459
P1455
P1448
P1445
P3565
P1442
P2
P1441
P7566
P1437
P1436
P1434
P1431
P1427
P7551
P1423
P1422
P1420
P1417
P1416
P3535
P1414
P1413
P1410
P4916
P1405
P1402
P3520
P3
P1400
P1399
P1396
P7521
P1395
P1394
P1392
P4901
P1391
P1388
P3505
P1386
P1385
P1382
P7506
P1381
P1380
P1377
P6463
P1374
P1373
P6495
P1371
P1370
P1367
P1364
P7489
P1363
P1362
P1359
P1357
P3014
P1351
P1350
P7474
P1349
P1345
P1341
P3000
P1339
P7460
P1337
P6454
P1334
Atom H of residue 45
P1332
P1325
P2297
P1322
P1321
P1320
Atom HG22 of residue 66
P1318
P1317
P1312
P1311
P1310
P6893
CHARMMStereochemistryRestraint10
P1307
P7664
P7232
P4617
P2755
P4368
P2976
P8305
Atom OG1 of residue 14
Atom C of residue 51
P1402
P7599
Atom HA of residue 64
P4529
P2587
P7076
P3338
P2787
P1735
P7501
Atom HA3 of residue 76
P7672
Atom HA2 of residue 76
Atom O of residue 76
GLY
Atom HA3 of residue 75
Atom HA2 of residue 75
Atom O of residue 75
P8536
Atom C of residue 75
GLY
Atom HH22 of residue 74
P2572
P260
Atom HH21 of residue 74
Atom HH11 of residue 74
Atom HD3 of residue 74
Atom HG2 of residue 74
Atom HB3 of residue 74
Atom HB2 of residue 74
Atom HA of residue 74
Atom CZ of residue 74
ARG
Atom N of residue 74
Atom HD22 of residue 73
Atom HD13 of residue 73
Atom HG of residue 73
P246
Atom HB3 of residue 73
Atom HB2 of residue 73
Atom HA of residue 73
P2820
P7618
Atom H of residue 73
Atom O of residue 73
Atom CA of residue 73
LEU
Atom HH22 of residue 72
Atom HH21 of residue 72
Atom HH12 of residue 72
Atom HD2 of residue 72
P11137
Atom HG3 of residue 72
Atom HG2 of residue 72
Atom HB2 of residue 72
Atom HA of residue 72
Atom NH1 of residue 72
Atom NE of residue 72
Atom CG of residue 72
Atom CA of residue 72
ARG
Atom N of residue 72
Atom HD23 of residue 71
P5812
Atom HD13 of residue 71
Atom HD11 of residue 71
P11111
Atom HG of residue 71
Atom HB2 of residue 71
Atom H of residue 71
Atom CA of residue 71
P8441
LEU
Atom HG22 of residue 70
Atom HG21 of residue 70
P7550
Atom H of residue 70
P5784
Atom CG2 of residue 70
Atom O of residue 70
Atom C of residue 70
VAL
P212
Atom N of residue 70
Atom HD22 of residue 69
Atom HD21 of residue 69
P5772
Atom HD13 of residue 69
Atom HD12 of residue 69
Atom HB3 of residue 69
Atom HB2 of residue 69
P8227
P5243
P8411
Atom CD2 of residue 69
Atom CD1 of residue 69
Atom CB of residue 69
Atom CA of residue 69
Atom HB3 of residue 68
Atom HB2 of residue 68
Atom CD2 of residue 68
Atom C of residue 68
P8200
HIS
Atom N of residue 68
Atom HD13 of residue 67
P8533
P1534
P1982
Atom HD11 of residue 67
P8189
Atom HB2 of residue 67
P5203
Atom H of residue 67
P5721
Atom CD1 of residue 67
P2691
Atom CA of residue 67
P1969
LEU
P1967
P7477
Atom HG23 of residue 66
P1965
Atom HG21 of residue 66
Atom HB of residue 66
P11006
Atom OG1 of residue 66
P7466
Atom O of residue 66
Atom CA of residue 66
Atom HG of residue 65
Atom HA of residue 65
P2667
Atom CB of residue 65
P2665
Atom C of residue 65
P1943
P10979
Atom OE2 of residue 64
P1942
Atom OE1 of residue 64
Atom C of residue 68
Atom CA of residue 64
P166
P8132
GLU
P8319
Atom HZ3 of residue 63
P8318
Atom HZ2 of residue 63
Atom HE2 of residue 63
Atom HD2 of residue 63
P7423
Atom HG3 of residue 63
P2633
Atom H of residue 63
Atom CG of residue 63
P7412
Atom CB of residue 63
Atom CA of residue 63
P2107
Atom HE22 of residue 62
P2103
Atom H of residue 66
Atom HB3 of residue 62
P8649
P2101
Atom HA of residue 62
Atom CA of residue 62
Atom H of residue 61
P1596
Atom CB of residue 61
ILE
P135
Atom HD21 of residue 60
Atom HE2 of residue 63
Atom HB3 of residue 60
Atom HA of residue 60
Atom OD1 of residue 60
Atom CG of residue 60
Atom O of residue 60
Atom C of residue 60
ASN
Atom N of residue 60
Atom HH of residue 59
P8038
Atom HD1 of residue 59
Atom N of residue 63
Atom HB3 of residue 59
Atom HB2 of residue 59
Atom H of residue 59
Atom OH of residue 59
Atom CZ of residue 59
Atom CE1 of residue 59
Atom CG of residue 59
Atom CB of residue 59
Atom HB2 of residue 58
Atom HA of residue 58
P8012
Atom CG of residue 58
Atom HG of residue 57
P10840
Atom HA of residue 57
P2523
Atom OG of residue 57
P2521
P2050
Atom O of residue 57
SER
P4
P7294
Atom N of residue 57
P7991
Atom HD22 of residue 56
Atom HD21 of residue 56
Atom HD13 of residue 56
Atom HD12 of residue 56
Atom HD11 of residue 56
Atom HG of residue 56
Atom ND2 of residue 60
Atom HB2 of residue 56
P7982
Atom HA of residue 56
Atom CG of residue 60
Atom H of residue 56
P10816
Atom CG of residue 56
Atom CA of residue 60
Atom CB of residue 56
P98
Atom O of residue 56
Atom C of residue 56
P2445
Atom OG1 of residue 55
Atom CE1 of residue 59
Atom CB of residue 55
P90
Atom CD2 of residue 59
P7959
Atom O of residue 55
P10797
Atom CD1 of residue 59
Atom C of residue 55
P7956
THR
Atom N of residue 55
Atom HH21 of residue 54
Atom H of residue 58
Atom HG3 of residue 54
Atom OD2 of residue 58
P7945
Atom HG2 of residue 54
Atom OD1 of residue 58
Atom HB3 of residue 54
Atom NE of residue 54
P10774
Atom CD of residue 54
P7934
Atom CG of residue 54
P80
Atom C of residue 54
Atom CA of residue 53
P10757
Atom HB3 of residue 52
Atom HB2 of residue 52
P10755
P2404
Atom HA of residue 52
Atom HG3 of residue 51
Atom HB3 of residue 51
Atom HB2 of residue 51
P7900
Atom HA of residue 51
Atom H of residue 51
Atom O of residue 51
Atom C of residue 51
GLU
Atom N of residue 51
Atom HD23 of residue 50
Atom HH22 of residue 54
P7186
Atom HD21 of residue 50
Atom HH21 of residue 54
Atom HD13 of residue 50
P10718
Atom HD3 of residue 54
Atom HB3 of residue 50
Atom HB2 of residue 50
P10716
Atom HA of residue 50
P2407
Atom CD2 of residue 50
Atom CZ of residue 54
Atom CA of residue 50
Atom N of residue 50
Atom HE22 of residue 49
ARG
Atom HB2 of residue 49
Atom N of residue 54
P2352
Atom HA of residue 49
P4435
P2544
P10694
Atom H of residue 53
Atom OE1 of residue 49
P2348
Atom O of residue 53
Atom CD of residue 49
P7150
Atom CA of residue 49
GLN
Atom H of residue 52
P2340
Atom HZ3 of residue 48
P7145
Atom OD1 of residue 52
Atom HZ1 of residue 48
P2376
Atom HE2 of residue 48
Atom HD3 of residue 48
Atom CA of residue 52
P76
Atom HG3 of residue 48
P2527
Atom HG2 of residue 48
Atom HB2 of residue 48
P4848
Atom HA of residue 48
P2327
Atom NZ of residue 48
P10669
Atom CE of residue 48
Atom CD of residue 48
P2323
Atom CB of residue 48
Atom O of residue 48
LYS
Atom O of residue 47
P10655
Atom C of residue 47
Atom HD13 of residue 50
GLY
P10652
Atom HD12 of residue 50
Atom N of residue 47
Atom HB3 of residue 46
Atom HB1 of residue 46
P5354
Atom CB of residue 46
P10642
Atom CA of residue 46
Atom HE2 of residue 45
P1321
Atom HD2 of residue 45
Atom HE21 of residue 49
Atom HB3 of residue 45
P2325
Atom NE2 of residue 49
Atom CD2 of residue 45
Atom HD12 of residue 44
P2276
Atom HD11 of residue 44
Atom HG21 of residue 44
Atom HG3 of residue 48
Atom HB of residue 44
Atom HA of residue 44
P8
P7762
Atom CB of residue 44
P8225
Atom O of residue 44
Atom CA of residue 44
P8222
ILE
Atom HD23 of residue 43
P2295
P7755
Atom HD22 of residue 43
Atom HD12 of residue 43
P10589
Atom HD11 of residue 43
P7748
Atom HB3 of residue 43
Atom HB2 of residue 43
Atom H of residue 43
Atom CB of residue 43
P10571
Atom HH21 of residue 42
Atom HH11 of residue 42
P1767
Atom NH2 of residue 42
Atom CG of residue 42
Atom N of residue 38
Atom O of residue 42
Atom C of residue 42
P2252
Atom N of residue 42
Atom HE22 of residue 41
Atom HG3 of residue 41
Atom HB3 of residue 41
P2405
Atom HB2 of residue 41
P7699
Atom NE2 of residue 41
P2401
P6999
Atom OE1 of residue 41
Atom CG of residue 41
Atom CB of residue 41
P2396
P10531
P2201
Atom C of residue 41
Atom CA of residue 41
Model 128
Atom HE22 of residue 40
Atom HE21 of residue 40
Atom HA of residue 40
P2222
Atom CD of residue 40
Atom HB2 of residue 39
P10504
Atom H of residue 39
P8127
Atom OD1 of residue 39
Atom CG of residue 39
Atom C of residue 39
Atom CA of residue 39
P2202
Atom N of residue 39
P2200
Atom HD2 of residue 38
P2199
Atom HG3 of residue 38
Atom HB3 of residue 38
MD 16
Atom C of residue 38
Atom HD3 of residue 37
P10474
P2149
Atom HG2 of residue 37
Atom HB2 of residue 41
Atom HB2 of residue 37
Atom HA of residue 41
P6933
Atom HA of residue 37
Atom CA of residue 31
P2340
Atom CD of residue 37
Atom HD11 of residue 36
Atom HG23 of residue 36
Atom CD of residue 40
Atom CG1 of residue 36
Atom CB of residue 36
P6907
Atom O of residue 36
P6904
ILE
Atom HB3 of residue 39
Atom HA2 of residue 35
P10437
Atom HB2 of residue 39
Atom H of residue 35
Atom OD2 of residue 39
Atom CA of residue 35
Atom HG3 of residue 34
Atom HG2 of residue 34
Atom HB3 of residue 34
P6890
Atom HB2 of residue 34
Atom H of residue 34
Atom HG2 of residue 38
P7582
P8046
Atom CG of residue 34
Atom CB of residue 34
P10419
Atom O of residue 34
Atom C of residue 34
Atom CD of residue 38
Atom CA of residue 34
GLU
Atom HZ3 of residue 33
Atom HZ1 of residue 33
Atom HE2 of residue 33
Atom HG3 of residue 37
Atom HG3 of residue 33
Atom HB3 of residue 33
Atom HB2 of residue 33
Atom H of residue 33
Atom CA of residue 33
P7550
Atom HB3 of residue 32
Atom HA of residue 32
Atom CA of residue 32
Atom N of residue 32
P2254
Atom HE22 of residue 31
Atom HA3 of residue 35
Atom HB3 of residue 31
Atom HB2 of residue 31
P10368
P7529
P7993
Atom HA of residue 31
GLN
Atom N of residue 31
Atom HG21 of residue 30
Atom HG12 of residue 30
Atom HB of residue 30
Atom HA of residue 30
P4107
Atom CG1 of residue 30
Atom CB of residue 30
P7961
Atom O of residue 30
P2048
Atom CA of residue 30
P7958
P7494
ILE
Atom HZ3 of residue 29
Atom HZ2 of residue 29
Atom HZ1 of residue 29
Atom HE3 of residue 29
Atom HD3 of residue 29
Atom HD2 of residue 29
Atom HG3 of residue 29
P7947
P7483
Atom HG2 of residue 29
P472
Atom HB2 of residue 29
P1564
Atom H of residue 29
Atom CG of residue 29
Atom CB of residue 29
P7472
P7936
Atom O of residue 29
Atom CA of residue 29
P7933
P7469
LYS
P5425
P4035
P2192
P2030
P7467
P7931
Atom HB3 of residue 28
Atom HB2 of residue 28
Atom HB1 of residue 28
Atom CB of residue 28
Atom O of residue 28
Atom C of residue 28
P2012
ALA
Atom N of residue 28
P10292
Atom HZ1 of residue 27
Atom HE3 of residue 27
P7915
P1538
Atom HE2 of residue 27
Atom HG3 of residue 27
Atom HG2 of residue 27
Atom HB3 of residue 27
P7908
Atom HB2 of residue 27
P1996
Atom HG23 of residue 30
P7906
Atom H of residue 27
Atom NZ of residue 27
Atom CE of residue 27
Atom CB of residue 27
Atom O of residue 27
Atom C of residue 27
P2062
Atom HB of residue 26
P1974
Atom CG2 of residue 26
P7883
Atom CG1 of residue 26
P2118
P7418
P4
Atom CB of residue 26
Atom C of residue 26
P1504
Atom CA of residue 26
Atom N of residue 26
P2028
Atom HD22 of residue 25
Atom HD21 of residue 25
Atom HB3 of residue 25
Atom HA of residue 25
Atom H of residue 25
P2135
Atom OD1 of residue 25
Atom CB of residue 25
Atom C of residue 25
ASN
Atom N of residue 25
Atom HG3 of residue 24
P7388
P7852
Atom OE1 of residue 24
P1477
Atom CG of residue 24
P1949
P1476
Atom CB of residue 24
Atom CA of residue 24
Atom HG23 of residue 23
P10213
Atom HG22 of residue 23
P1930
Atom HG21 of residue 23
P7372
Atom HG13 of residue 23
Atom HG12 of residue 23
Atom HA of residue 23
Atom H of residue 23
Atom CD1 of residue 23
Atom CG2 of residue 23
P1918
P7828
P7364
Atom CG1 of residue 23
Atom O of residue 23
Atom HG23 of residue 22
Atom HG22 of residue 22
P1913
Atom HG21 of residue 22
Atom HG1 of residue 22
Atom HB of residue 22
P4641
Atom CG2 of residue 22
Atom OD2 of residue 21
Atom OD1 of residue 21
Atom CB of residue 21
P1908
Atom HA of residue 20
Atom H of residue 20
P10160
P7785
Atom OG of residue 20
P7320
Atom CB of residue 20
P7771
Atom HA of residue 19
Atom CD of residue 19
P1853
Atom HA of residue 18
Atom H of residue 18
P10130
Atom OE2 of residue 18
P7754
P7290
Atom OE1 of residue 18
Atom C of residue 18
Atom HB of residue 22
Atom CA of residue 18
Atom HB of residue 17
P1695
Atom CB of residue 17
P1693
Atom C of residue 17
P7263
Atom N of residue 17
Atom HA of residue 16
Atom CD of residue 16
Atom CB of residue 16
Atom O of residue 16
GLU
Atom HD12 of residue 15
P368
Atom HD11 of residue 15
Atom HG of residue 15
Atom HB3 of residue 15
P1664
Atom HA of residue 15
Atom CD2 of residue 15
Atom CG of residue 15
Atom CB of residue 15
Atom O of residue 15
P4763
Atom C of residue 15
LEU
P4760
Atom N of residue 15
P7222
Atom HG23 of residue 14
Atom HG1 of residue 14
Atom H of residue 14
Atom CG2 of residue 14
P6511
Atom C of residue 14
P6510
P7211
Atom CA of residue 14
Atom N of residue 14
P6505
Atom HD11 of residue 13
Atom HG13 of residue 13
Atom H of residue 13
P4726
P1809
Atom CB of residue 13
P1807
Atom C of residue 13
ILE
P7647
P7183
Atom HG22 of residue 12
Atom HB of residue 12
Atom CG2 of residue 12
Atom OG1 of residue 12
Atom CB of residue 12
P328
Atom C of residue 12
P7645
THR
P7548
Atom HE2 of residue 11
P1649
P1708
Atom HD3 of residue 11
P1707
Atom HD2 of residue 11
P1793
Atom HG2 of residue 11
P7171
P1791
P4187
Atom HB2 of residue 11
P4700
Atom CG of residue 11
Atom O of residue 11
Atom C of residue 11
LYS
Atom N of residue 11
P1521
P334
P7619
Atom H of residue 10
P7555
Atom HG21 of residue 9
THR
P4679
Atom HD23 of residue 8
P7603
Atom HD12 of residue 8
Atom HB2 of residue 8
Covariance1DFunction 13
Atom H of residue 8
Atom CD2 of residue 8
P7592
Atom CB of residue 8
P1692
Atom O of residue 8
Atom N of residue 8
P8220
P4656
Atom HG22 of residue 7
P8218
Atom HG1 of residue 7
Atom CB of residue 7
THR
Atom N of residue 7
P7100
Atom HZ3 of residue 6
Atom HG2 of residue 6
Atom HB3 of residue 6
P3580
P1456
P1652
Atom HA of residue 6
Atom CE of residue 6
P1450
Atom CB of residue 6
Atom O of residue 6
P1655
Atom C of residue 6
P4586
Atom CA of residue 6
P5603
LYS
Atom N of residue 6
P5066
Atom HG21 of residue 5
Atom OE2 of residue 24
Atom HG13 of residue 5
Atom HB of residue 5
Atom H of residue 5
Atom C of residue 5
P5441
Atom HG21 of residue 12
Atom HD12 of residue 23
Atom CA of residue 5
Atom HD11 of residue 23
VAL
Atom HE1 of residue 4
Atom CE1 of residue 4
P1694
Atom CG of residue 4
Atom N of residue 13
Atom CB of residue 4
P7516
Atom O of residue 4
Atom CA of residue 4
PHE
P5028
Atom HD13 of residue 3
Atom HD12 of residue 3
Atom HD11 of residue 3
Atom HG22 of residue 3
Atom HG21 of residue 3
Atom HB of residue 3
Atom CD1 of residue 3
P3998
Atom O of residue 3
ILE
Atom HB2 of residue 2
Atom H of residue 2
Atom CD of residue 2
Atom CG of residue 2
Atom CA of residue 2
P4998
Atom N of residue 2
Atom HE1 of residue 1
Atom HB3 of residue 59
Atom HB3 of residue 1
Atom H of residue 1
Atom CG of residue 1
Atom O of residue 1
P3968
P5366
Atom C of residue 1
Atom CA of residue 1
P1
MET
Chain A
phys
P11549
GridCPF
UnaryFunction30
DihedralSingletonScore9
P3766
AngleSingletonScore9
P1953
P8562
P8557
P8555
P7060
P8553
P6673
P8552
P8550
P6667
P8546
P1934
P8543
P8539
P1929
P8537
P8536
P5640
P8522
P8521
P8520
P8519
P8517
P8516
P8511
P8503
P8502
P8501
P8499
P1929
P8492
P8488
P7356
P8487
P8484
P8483
P1920
P8482
P8481
P6962
P8479
P8478
P8476
P8473
P5948
P8467
P5946
P8466
P8463
P6944
P8462
P8461
GaussianProcessInterpolationRestraint 43
P8458
P8457
P8454
P8453
P8444
P6924
P8443
P8438
P6917
P8437
P8435
P8433
P8432
P5908
P8431
P6907
P8428
P8426
P8425
P2049
P8419
P8418
P5893
P8417
P6894
P8416
Atom HB of residue 30
P8415
P1851
P8414
P8410
P8406
P6851
P8404
P8403
P8402
P8396
P8395
P8393
P1385
P8392
P6834
P8388
P8387
P1380
P8386
P5829
P8385
P8384
P8383
P8380
P1371
P8379
P2078
P8378
P8377
P8374
P8373
P8370
P6813
P8368
P8367
P8366
P8365
P7390
P8358
P8357
P8356
P5998
P8354
P7385
P8353
P8351
P8346
P8344
P8343
P1941
P8342
P8341
P8340
P8337
P5979
P8335
P8333
P8332
P5885
P8331
P6886
P8330
P8328
Atom CA of residue 30
P8327
Atom N of residue 30
P5879
P8325
P8321
P8320
P8319
P8313
P6868
P8312
P8311
P2117
P8310
Atom CG of residue 29
P8307
P1889
P8306
P6610
P8301
P8299
P1852
P8298
P8297
P8296
P6606
P8294
P6604
P8293
P8291
P8277
P8271
P8267
P8261
P8260
P8259
P8258
P8255
P1925
P8250
P8249
P6940
P8247
P8246
P8240
P1922
P8239
P6541
P8235
P8234
P2294
P8233
P4546
P8230
P4545
P8229
P4544
P8228
P4543
P8227
P8225
P8224
Atom OE2 of residue 18
P8222
P8221
P4534
P2750
P8218
Atom N of residue 9
P8217
P8213
P8212
P8210
P8209
P8208
P8207
Atom HG11 of residue 17
P8206
P6314
P8203
P2734
P8202
P123
P5210
P8200
P5209
P8199
P5207
P8197
Atom CA of residue 17
P5206
P8196
P5204
P8194
P5203
P8193
P8191
Atom H of residue 7
P5192
P8182
P5191
P8181
P5189
P8179
P5187
P8177
Atom O of residue 12
P5186
P8176
P5185
P8175
P5184
P8174
P5183
P8173
P5182
P8172
P5181
P8171
P5180
P8170
P5643
P5179
P8169
P5178
P8168
P5177
P8167
P5176
P8166
P5174
P8164
P5637
P5173
P8163
P5172
P8162
P5171
P8161
P5170
P8160
P5169
P8159
P5168
P8158
P5167
P8157
P5166
P8156
P5163
P8153
P5161
P8151
P5159
P8149
P5157
P8147
P5156
P8146
P5154
P8144
P5153
P8143
P5152
P8142
P5146
P8136
P5143
P8133
P5142
P8132
P5141
P8131
P5140
P8130
P5139
P8129
ListSingletonContainer46
P5138
P8128
P28
P5137
P8127
P5599
P5135
P8125
P5134
P8124
P5133
P8123
P5132
P8122
P5128
P8118
P5127
P1366
P8117
P5125
P8115
P23
P8113
P5122
P8112
P8504
P5121
P8111
P5123
P8110
P5118
P8108
P8107
P8106
P1352
P8102
P8101
P8493
P8100
P8099
P8492
P8098
P44
P8096
P8095
ListSingletonContainer173
P8092
P8091
P8090
P8088
P8086
P8085
P8084
P8083
P8082
P8081
P8077
P8076
P8075
P8073
P8071
P8070
P8069
P8068
P8067
P8066
P8062
P2543
P8061
P8059
P2540
P8058
P8054
P8053
P8025
P8024
P5033
P8023
P5032
P8022
P5029
P8019
P5026
P8016
P5022
P8012
P5021
P8011
P5020
P8010
P5019
P8009
P2494
P5017
P8007
P5016
P8006
P5015
P8005
P5014
P2491
P8004
P5011
P8001
P5010
P8000
P5009
P7999
P5008
P7998
Atom HG21 of residue 14
P7972
P7971
P4976
P7966
P4971
P7961
P4970
P7960
P4969
P7959
P4967
P7957
P4965
P7955
P2446
P4964
P7954
1G6J_MODEL1.pdb
P6062
P2443
P4961
P7951
P6061
P4960
P7950
P6059
P4958
P7948
P6058
P4957
P7947
P6057
Atom CA of residue 26
P4956
P7946
P6056
P4955
P7945
P2438
P6055
Atom N of residue 26
P4954
P7944
P6054
P4953
P7943
P6052
Atom HB3 of residue 25
P4951
P7941
P6051
P4950
P7940
P6050
P4949
P7939
P6049
P4948
P7938
P6048
P4947
P7937
P6047
P4946
P7936
Model 13
P6045
P7934
P6044
P4943
P7933
P6042
P4941
P7931
P6040
P4939
P7929
P7928
P7927
P7926
P7925
Atom HA of residue 72
P7924
P7923
P7922
P7921
P7920
P7919
P7918
P7917
P7916
P7914
P7912
P2407
P7911
Restraint 91
P7909
P7908
P7907
P7906
P7905
P7904
P7902
P7901
P7899
P7898
P2394
P7897
P7896
P7895
P7894
P7893
P7892
P7891
P7890
P7889
P7887
P7885
P7884
P7883
P7882
P4890
P7880
P4887
P7877
P8558
P2375
P4886
P7876
P4885
P7875
P7841
P8521
P7837
P7836
P2338
P7835
P7834
P7831
P5301
P8510
P7826
P7824
P8467
P5890
P5254
P7776
P4783
P7769
P4782
P7768
P4781
P7767
P2273
P4774
P7764
P7762
P2261
P7761
ILE
P7760
P7757
P7756
P4767
P7753
P8444
P4766
P7752
P4765
P7751
P4764
P7750
P4763
P7749
P7744
P7742
P5215
P7740
P7738
P7737
P7736
P7735
P8423
P7734
P7699
P7693
Atom CG of residue 1
P7691
P7690
P7688
P7687
P7686
P7684
P7680
Atom C of residue 70
P7679
Atom N of residue 70
P7676
P7673
P7670
P7669
P7666
P7665
P7663
P7661
Atom HZ2 of residue 29
P7660
P7657
P4650
P7640
P1962
P4649
P7639
P4647
P7637
P4646
P7636
P2
P4645
P7635
P4643
P7633
P4642
P7632
P2151
P4639
P7629
P4638
P7628
P4637
P7627
P2148
P4636
P7626
P4635
P7625
P4633
P7623
P4631
P7621
P4629
P7619
P4625
P7615
P4624
P7614
P4623
P7613
P4622
P7612
P4621
P7611
P4620
P7610
P4619
P7609
P2132
P4618
P7608
P4617
P7607
P4614
P7604
P4612
P7602
P4610
P7600
P7597
P5705
P7596
P7595
P5663
P7552
P7404
P7403
P7289
P7288
P7286
P7282
P7278
P7277
P7276
P7275
P7273
P7272
P7271
P2297
P7270
P7269
P0
P7267
P7266
P7265
P7264
P2287
P7259
P2286
P7258
P7257
P7256
P7255
P5365
P7254
P7245
P7244
P7699
P7243
P7698
P7242
P7241
P7240
P7239
P7238
P7237
P7184
P7181
P7180
P2214
P7179
P7178
P7177
P7176
P7173
P7170
P7169
P7167
P4175
P4640
P7165
P4639
P4174
P7164
P4173
P4638
P7163
P4172
P4637
P7162
P4170
P4635
P7160
P4169
P4634
P7159
P2194
P4632
P4167
P7157
P4165
P4630
P7155
P4164
P4629
P7154
P4626
P4161
P7151
P4158
P4623
P7148
P4156
P4621
P7146
P4617
P4152
P7142
P4615
P4150
P7140
P4149
P4614
P2178
P7139
P4148
P4613
P7138
P4612
P4147
P7137
P7135
P7133
P7131
P7130
P7129
P7127
P7126
P7124
P7123
P7121
P7120
Atom CD2 of residue 68
P7118
P2158
P7117
P7116
P7115
P7112
P7111
P7109
P7106
P5218
P7104
P5213
P7102
P2135
P7092
P7090
P7089
P7088
P7087
P7085
Atom CB of residue 5
P7084
Atom N of residue 2
P7081
P7080
P4554
P7079
P1809
P7078
P7077
P7075
P7073
P7072
P7070
P7066
P7063
P7062
P7057
P7055
Atom HB3 of residue 43
P7054
P7053
P8246
P7051
P7050
P1782
P7049
P7048
P7045
P7043
P7042
P7039
P7038
P7037
P5147
Atom HH11 of residue 42
P7036
P5146
P7035
P5145
P1768
P7034
P5143
P7032
P5140
P7029
P5139
P7028
P5138
P7027
P5137
P7026
P1761
P5136
P7025
P5135
P7024
P5134
P7023
Linear1DFunction 44
P5133
P7022
P5132
P7021
P5131
P7020
P5129
P7018
P5128
P7017
P5126
P7015
P7012
P5122
P7011
P1747
P5121
P7010
P5123
Atom HB3 of residue 41
P7009
P5119
P7008
P5118
P7007
P7006
P1740
P7004
P7003
P7000
P6999
Atom C of residue 41
P6998
P6997
P6995
P6935
P5045
P6934
Atom HH21 of residue 74
P6932
P6931
P6930
P6928
P1668
P6927
P6923
Atom HA of residue 74
P6921
P6920
P6919
P6918
P6915
P6913
P6912
P1653
P6911
P6891
P4310
P6835
P4944
P6833
Atom HG13 of residue 70
P6832
P6830
P6827
P6826
P6825
P6824
P6821
P1567
P6819
P6818
P6817
P6815
P6814
P6813
P6812
P6811
P6809
Atom H of residue 69
P6806
P6805
P1553
P6804
P6802
P6800
Atom HH21 of residue 54
P6799
P6797
P6796
P6795
Atom HD2 of residue 68
P6794
P6793
P6791
P6790
Atom NE2 of residue 68
P6788
P6787
P6785
P6784
P4890
P6781
P6779
P6778
P6777
P6776
P6775
P1525
P6774
P6773
P6772
P6770
P6769
P6765
P6764
P6763
P6762
P6761
P4858
P6751
P4857
P6750
P4856
P6749
P6740
P6739
P6738
P6735
P6734
P6732
P6731
Atom H of residue 72
P6663
P6659
P6658
P6657
P6654
P6653
P1411
P6652
P6651
Atom H of residue 61
P6648
P6647
P6646
P6642
P6640
P6638
P54
P1397
P6637
P6636
P6635
P6633
P6631
Atom C of residue 6
P6627
P6626
Atom HG13 of residue 70
P6624
P6622
P6621
P41
P6620
ListSingletonContainer53
P6619
P6616
Atom C of residue 70
P6613
P6612
P6611
Atom N of residue 70
P6610
P6609
P6608
P6607
P6606
P1365
P6605
P6604
Atom HG2 of residue 72
P6603
P6602
P6598
P6594
Atom H of residue 58
P6593
P6588
P6587
P7040
P6584
P6583
P6579
Atom HG of residue 71
P6578
P6576
P6574
P6572
P6571
P6569
P6568
MonteCarlo3
Atom HD21 of residue 56
Atom C of residue 71
P6567
P6566
P6565
Atom HD11 of residue 56
Atom N of residue 71
P6564
P6562
P6561
P6560
P6559
P6558
P6557
P6556
P6554
Atom O of residue 56
P6553
LEU
P6550
P6549
P6548
P6547
P6546
P6545
P6544
P6543
P6542
Atom OG1 of residue 55
Atom HD11 of residue 69
P6539
P6538
P6537
P6536
P6535
P6534
P6533
P6532
P6531
P6530
P6527
P6526
P6524
P6523
P6522
P6521
P6520
P6519
P6516
P6515
P6514
P6512
P6511
P6509
P6508
P6507
P6505
Atom HG23 of residue 17
P6503
P6502
P6501
Atom HD13 of residue 67
P6500
P6499
P4608
P6498
P4606
P6496
P6495
P4604
P6494
Atom H of residue 52
P6493
P6491
P6488
P1943
P6487
P6486
Atom CA of residue 52
P6485
P6483
P6482
P6481
Atom HB3 of residue 51
P6480
P6477
Atom HA of residue 66
P6476
P6474
P6473
P6472
P6471
Atom C of residue 51
P6469
Atom N of residue 51
P6466
Atom HA of residue 65
P6462
P6458
P6457
P6456
P6455
P6454
P6453
P6451
P6446
Atom CD of residue 64
P6444
P6437
P6435
P6376
Atom CG1 of residue 61
P6374
Atom CA of residue 67
P6372
P6371
P6370
P161
P6369
P6368
Atom HG21 of residue 66
ListSingletonContainer314
P8202
P6367
P6366
Atom HB of residue 66
P6365
Atom CD1 of residue 45
P6364
P6363
P6362
P6361
P6359
P4467
P6357
P4464
P6354
P4463
P6353
P4462
P6352
P4461
P6351
P4460
P6350
P4458
P6348
P4455
P6345
Atom CB of residue 44
P4450
P6340
P4445
P6335
P4444
P6334
Atom HD22 of residue 43
P4443
P6333
P4436
P6782
P6326
P3781
P6318
P3780
P6317
P4415
P8140
P6305
P4410
P6300
P4409
P6299
P4404
P6294
P4403
P6293
P4402
P6292
P4401
P6291
P4398
P6288
P4397
P6287
P4394
P6284
P4389
P6279
P4388
P6278
P4386
P6276
P4384
P6274
P4383
P6729
P6273
P4374
P6264
P4369
P6259
P3719
P6256
P6223
P6179
Atom CG of residue 50
P6178
Atom O of residue 35
Atom C of residue 50
P6175
P6171
P6167
ListSingletonContainer281
P6163
P6162
P6159
P6158
P6150
P6149
P6148
P6147
P6146
P6145
P47
P6144
P6142
P6138
P6137
P6136
P6135
P6134
P6131
ListSingletonContainer355
P6129
P6122
P6577
P6121
P194
P6119
P6117
Atom N of residue 32
P6115
P6113
P6112
Atom C of residue 46
P6110
Atom HB2 of residue 31
P6108
Atom CA of residue 15
Atom N of residue 46
P6107
Atom HG21 of residue 14
P6102
P6101
Atom HB of residue 14
P6100
P6098
P186
Atom CZ of residue 45
P6096
P6095
Atom HD13 of residue 30
P6094
P6092
P6091
P6090
P6089
Atom HD13 of residue 13
P6088
P6085
P8539
P6084
P6083
P6082
P6080
P6077
P6076
P6074
P6073
P6071
P6070
Atom N of residue 13
P6067
P8522
P6066
P6065
P6060
P6058
P170
P8505
Atom CD1 of residue 43
P6048
P6501
P6045
P6500
P6044
P6042
P6497
P6041
P6036
P6035
P6034
P6030
P8487
P6029
P6028
P6025
P6023
Atom HA of residue 27
P6021
P6020
P6019
P6018
P6017
Atom CA of residue 43
P6016
ListSingletonContainer210
P6008
P8465
P6006
Atom H of residue 41
P4112
P6004
Atom CB of residue 26
P5996
P6446
Atom HG2 of residue 40
P5990
P6445
P5989
ListSingletonContainer339
P5977
P3434
P6427
P5971
P3432
P5969
P3429
P5966
P139
P3426
P5963
P3425
P5962
Atom N of residue 39
P3424
P5961
P3423
P5960
P3416
P8415
P5953
P3414
P5951
Atom CB of residue 38
P3413
P5950
P3410
P5947
P3409
P5946
P3408
P5945
ListSingletonContainer198
P3406
Atom CG2 of residue 23
P5943
Atom CG1 of residue 23
P3405
P5942
P3404
P5941
P3402
P5939
P3400
P5937
P3398
P5935
P5933
P4030
Atom C of residue 37
P2929
P5932
P5930
P5927
P5925
P5922
P6376
P5920
P5919
P8382
P5918
P5917
P5916
P5915
P5914
Atom OD1 of residue 21
P5913
P5912
P5911
Atom C of residue 36
P5910
P5908
P5905
P5903
Atom CG of residue 8
P5901
P5900
P5898
ListSingletonContainer190
P5896
P3317
P5854
P8282
P5816
P5813
P5808
P5804
P6259
P5803
P2779
P3880
P5782
P2778
P3879
P5781
P3876
P2775
P5778
P5776
P2772
P3873
P5775
Atom HA of residue 13
P2771
P3872
P5774
P3871
P2770
P5773
P2769
P3870
P5772
P3869
P2768
P5771
P5770
P5768
P5764
P5762
P5761
P5759
P5758
Atom NE of residue 42
P5757
P5756
P5754
P5751
P5747
P5743
P2518
Atom CB of residue 27
P5742
P5740
P5738
Atom N of residue 11
P5736
P5735
P5734
Atom HG1 of residue 22
P5733
P5729
P5728
P5710
P5709
P5708
P5659
THR
P5649
P5648
P164
P5647
Atom CA of residue 5
P5645
Atom H of residue 21
P5643
P2426
Atom HB2 of residue 4
P5641
P5639
P5635
P5628
Atom H of residue 5
P5626
P5624
P5623
P5622
P153
P5619
P5618
P5616
Atom C of residue 6
P5613
P5612
P5611
P7448
P5610
P5608
P7442
P5607
P5605
P5604
P3698
P5603
P5602
P7436
P5600
P5599
P5598
P28
P5597
P7432
P3708
P5596
P5595
P5594
P5592
P5591
P5590
P5589
P5588
P5587
P2580
P5586
P5585
P5584
P5583
P5581
P2369
P5579
P5578
P5576
P5575
P5574
P5573
P5572
P5570
P2564
P5569
P5567
P5566
P5565
P5564
P5563
P5562
P5561
P5558
P5557
P5556
P3652
P5553
P3014
P5552
P3013
P5551
P3011
P5549
P3009
P5547
P3007
P5545
P3006
P5544
P3005
P5543
P3004
P5542
P3003
P5541
P3002
P5540
P2333
P3001
P5539
P3000
P5538
P2998
P5536
P2997
P5535
P2995
P5533
P2994
P5532
P2993
P5531
P2992
P8259
P5530
P2991
P5529
P2989
P5527
P2986
P5524
P2985
P5523
P2984
P5522
P2983
P5521
P2982
P5520
P2981
P5519
P2979
P7351
P5517
P2978
P5516
P5514
P5510
P5509
P5507
P5505
P5504
P5502
P5500
P5498
P5496
P5495
P5494
P5493
P5492
P5491
P5489
P5488
P5487
P5486
P2284
P5485
P5479
P5477
P5476
P5475
P5473
P5472
P5470
P5469
P5468
P5467
P129
P5466
P5465
P5464
P5463
P9907
P5457
P9906
P5456
P9903
P5453
P9902
ListSingletonContainer94
P5452
P9901
P5451
P9898
P124
P5448
P9897
P5447
P5446
P5445
P9894
P5444
P9893
P5443
P9891
P5441
P9889
ListSingletonContainer122
P5439
P9888
P5438
P9887
P5437
P9886
P5436
P9885
P119
P5435
P9883
P5433
P9880
P5430
P9879
P5429
P5426
P5425
P5424
P5422
P5421
P7254
P5419
P5417
P5259
P5257
P5254
P5253
P5252
P5251
P5249
P5248
P5246
P5244
P5241
P5239
P8428
P5238
P5236
P5234
P5233
P5230
P5228
P5227
P8417
P5226
P1734
P5225
P5224
P5223
P5221
P5219
P5670
P5218
P5217
P5212
P5664
P5209
P5663
P1718
P5208
P5662
ModelScoringFunction2
P5207
P5661
P5206
P5659
P5204
P5203
P5200
P5199
P5197
P5196
P5195
P5194
P5193
P5191
P5190
P5187
P5184
P5182
P5181
P8373
P5180
P5178
P5175
P5174
P5173
P5171
P5170
P5169
P5167
P5166
P5165
P5164
P5163
P1675
P5162
P5161
P5159
P5157
P5155
P5154
P5152
P5151
P5150
P3246
P5148
P5602
P5147
P5600
P5145
P5144
P5143
P5142
P5141
P5140
P5139
P5138
P5136
P5135
P5133
P5132
P5130
P5129
P5128
P5127
P8322
P5126
P3
P5125
P5121
P1636
P5120
P5118
P5117
P5116
P1
P5115
P5111
P5110
P5106
P5103
P5102
P8294
P5100
P1615
P8293
P5098
P5095
P5094
P5093
P8287
P5092
P5091
P5088
P5087
P5086
P5085
P5084
P1601
P5083
P5080
P2544
P5079
P5078
P5077
P5076
P5075
P5073
P5072
P5071
P5070
P5069
P4982
P4981
P4944
P3038
P8529
P4942
P3036
P4940
P4
P3035
P4939
P3032
P4936
P4891
P4890
P8479
P4889
P4888
P4887
P1417
P4886
P4885
P4882
P4881
P2363
P4879
P4874
P4873
P1403
P4871
P4870
P8417
P4869
P4868
P9319
P4867
P9318
P2353
P4866
P4845
P4843
P4841
P4839
P4838
P4837
P2932
P8415
P4835
P2931
P4834
P2930
P2322
P6668
P4833
P2929
P4832
P2928
P4831
P2927
P4830
P2926
P4829
P2925
P4828
P2924
P4827
P2923
P4826
P2922
P4825
P2920
P4823
P2910
P5268
P4812
P4807
P4806
P4805
P4804
P5230
P4775
P5227
P4772
P5225
P8241
P4770
P5222
P2261
P4767
P5220
P4765
P5219
P8237
P2258
P4764
P4763
P5217
P4762
P4759
P4758
P5212
P4757
P4755
P4754
P4753
P4750
P4749
P4748
P4747
P2242
P4746
P4745
P8350
P4744
P6577
P4743
P4740
P4738
P8343
P4737
P4735
P4734
P4733
P4732
P4731
P4730
P4729
P4727
P4725
P8331
P4724
P4723
P4722
P4720
P4719
P8325
P4718
P4717
P4716
P4715
P2213
P4714
P4713
P4712
P4710
P4708
P4706
P4702
P4701
P4700
P4699
P4697
P4695
P5148
P4693
P4692
P4691
P4690
Atom CG of residue 4
P4688
P4687
P4685
P4684
P4683
P2184
P4682
P2181
P4679
P4678
P4677
P4675
Atom CA of residue 46
P4673
P6505
P4671
P6501
P4667
P6497
P4663
P8269
P4662
P6495
P2165
P4661
P8268
P6494
P4660
P6493
P4659
P4658
P4656
P4655
P5108
P4653
P4648
P4647
P4646
P4645
P4643
P4642
P4640
P4639
P4635
P4633
Atom HB2 of residue 16
P4631
P4630
P4628
P4627
P2133
P4626
P4625
P4623
P4619
P4618
P2109
P2121
P4617
P4616
P4615
P4614
P4613
P4612
P4610
P4609
P4608
P4607
P1826
P4606
P4603
P2533
P4602
P4601
P4599
P4598
P4597
P4596
P4595
P4594
P4593
P1812
P4591
Atom HG22 of residue 14
P4590
P4588
P4587
P4586
P2517
P4584
P4583
P4582
P2514
P4581
P4579
P8025
P4578
P4577
P4575
P4574
P4573
P4572
P4569
P4568
P4567
P4566
P4565
P4564
P4563
P4562
P1784
P4561
P4560
P4559
P8002
P4555
P2646
P4551
P2644
P4549
P2643
P4548
P2642
P4547
P2641
P4546
P2481
P4545
P1
P4544
P4543
P4542
P4541
P1764
P4540
P4539
P4538
P8986
P1761
P4537
P4536
P4535
P7980
P2471
P4534
P7977
P4531
P7976
P4530
P7974
P4528
P5369
Atom HH12 of residue 74
P4476
P1703
P4475
P4474
Atom CG of residue 116
P4473
P2850
Atom HD2 of residue 74
P4472
P4471
P2413
P4470
P2562
P4468
P2560
P4466
Atom H of residue 74
P2559
P4465
P2558
P4464
Atom NH1 of residue 74
P2557
P4463
P8911
P4462
P8910
P4461
P8909
P1689
P4460
P8908
P4459
P8907
P4458
P8905
GeneralizedGuinierPorodFunction 46
P4456
P8904
P4455
P8902
P4453
Atom HD23 of residue 73
P8900
P4451
P8899
P4450
P8898
P2394
P4449
P8897
P4448
P8896
P4447
P8894
P1675
P4445
P8893
P4444
P4443
P4442
P4441
P4440
P4437
P4435
P4434
P4433
P4432
P1661
P4430
P4429
P4428
P4427
Atom HH11 of residue 72
P7872
P4426
P4425
P4420
P4419
P4418
P2365
P4417
P4416
Atom NH2 of residue 72
P1647
P4415
P2362
P4414
P4412
P4411
P4410
P4406
P4405
P4403
P1633
P4400
P4399
P4398
P4397
P4395
P4393
P4392
P4391
P4390
P4387
P4386
P4384
P4381
P4377
Atom HG12 of residue 70
P4376
Atom HB of residue 70
P4374
P4373
P4371
P4368
P4367
Atom O of residue 3
P4836
P4366
P4365
Atom HD23 of residue 69
P4362
GLN
P4360
P4812
P4358
P4357
P4356
P1591
P4355
P4354
P4353
P4352
P4350
P4348
P4346
P4345
P1315
P4341
P4338
P1
P4335
P4333
P2288
P4332
P4331
P2285
P4329
P4328
P4327
P4322
P4321
P4318
P4317
Atom CA of residue 2
P4315
P8552
P4313
P4311
P4309
P4308
P8546
P4307
P4306
Atom CB of residue 67
P4305
Atom O of residue 33
P4303
P4281
P1970
P4302
P4301
P2259
P4300
Atom N of residue 7
P4299
Atom CG of residue 7
P4298
P2256
P4297
P4296
P1983
P1535
P4295
P4294
P4292
P4290
P4288
P4286
P4285
P4282
P1
P1521
P4280
P2240
P4279
P4278
P2668
Atom OG of residue 65
P8518
P4277
P4276
P4275
P4273
P4272
P4271
P4270
P4269
P4268
P4267
P1507
P4265
P4264
P4263
P4262
P4240
P1941
Atom CD of residue 64
P4261
P4260
P4258
P4256
P4255
P4254
P4253
P4251
P4249
P2211
P4247
P4246
P8486
P4243
P4241
P4218
P2118
P4239
P4238
P4237
P1479
P4235
P1
P4233
P4232
P4227
P8470
P4226
P4225
P4203
P2104
P153
Atom HA of residue 66
Atom HG2 of residue 62
P4224
P4223
P4221
P1409
P4160
P4119
P1371
P4118
P2522
P2051
P7998
Atom CB of residue 57
P4117
P8569
P8370
P4116
P8567
P8369
P4114
P4113
P4112
P4109
P2028
P4099
P1800
P4098
P8360
P4097
P4096
P4095
P1355
P4093
P4092
P4091
Atom CB of residue 84
P4090
P4089
P1762
P4088
P4086
P4085
Atom CA of residue 56
P4084
P4083
P4082
P4081
P4080
P2492
Atom HB of residue 55
P4077
P4076
P4074
ALA
P4072
P4071
P4069
P4068
P4067
P4066
Atom HH22 of residue 54
P8330
P4065
P4063
P4062
P4061
P4060
P4059
P1734
P4058
P4056
Atom CD of residue 79
P4055
Atom HB2 of residue 54
P4054
P4053
P4052
P4051
P4048
P8312
P4047
P4046
P8311
P4045
P4044
Atom O of residue 54
P1720
P4043
P4042
P4041
P7496
P4038
P7495
P4037
P7494
P4036
P7493
P4035
P7491
P4033
P7490
P4032
P7489
P4031
P7488
P4030
P7486
P1706
P4028
P7485
P4027
P7482
P4024
P7481
P4023
P7479
P4021
P7478
P4020
P7476
P4018
P7475
P4017
P7472
P4014
P7471
P1692
P4013
P7470
P4012
P7469
P4011
P7468
P4010
P7467
P4009
P7466
P4008
P7465
P4007
P7464
P4006
P4005
P4003
P4002
P8298
P4000
P3999
P1678
P3998
P3997
P3996
P8262
P3995
P3994
P3992
P3991
P3988
P2408
Atom H of residue 50
Atom O of residue 120
P3987
P3986
P3985
P3984
P1664
P3983
Atom OD1 of residue 119
P3981
P3979
P3978
P3977
P3976
P7864
Atom HE21 of residue 49
P3975
P3973
P3970
P3969
P1650
P3968
P2543
P3967
P3966
P3963
P3962
P3961
P2057
P2538
P3960
P1
P3958
P5801
P3956
P3955
P3954
P1636
P3953
P3952
P3951
P7839
Atom HD2 of residue 48
P3950
P3948
P3947
P3945
P2519
P7828
Atom CG of residue 48
P3939
P2517
P1622
P3938
P3936
P2514
P3935
P3934
P3933
P3931
P3930
P2031
P3928
P3927
P3924
P7811
Atom HB2 of residue 46
P3922
P3921
P3920
P3919
P3918
P2498
P3917
P5761
P3916
P3915
P3913
P3912
P3911
P2493
P3910
P2490
P3907
P3906
P3904
P3903
P3902
Atom CD2 of residue 63
P3901
P3900
P3898
P2324
Atom OE1 of residue 49
P7786
Atom CD1 of residue 45
P3897
P3896
P3895
P3894
P3892
P3891
P3890
P2474
P3889
P3888
P3886
P7774
Atom HG23 of residue 44
P3883
P3881
P3880
P3879
P1566
P3878
P3877
P3876
P2461
P3875
Atom CG1 of residue 44
P3874
Atom CZ of residue 61
P3873
P3872
P3871
P3868
P3866
P3865
P3864
P1552
P3863
Atom HG of residue 43
P3860
Atom C of residue 60
P3859
P3858
P5704
P2445
P3857
P3851
ASN
P2437
P3850
Atom C of residue 43
P3849
P1538
P3848
P3847
P3846
P3845
P3844
P3843
Atom HH12 of residue 42
P3842
P3841
P3840
Atom HD2 of residue 42
P3838
P3837
P3836
P1329
P3830
P3829
P3828
P3827
P3826
P5669
P2413
P3822
P1510
P3818
Atom C of residue 56
P3817
P3816
Atom HG2 of residue 41
P3815
Atom N of residue 56
P3814
P3813
P3812
P3808
P8262
P3798
P3796
P3795
P3793
P3792
P3791
P7250
P2384
P3790
P1482
P3788
P3787
P3786
P3785
P3784
P3783
P3782
P3781
P3780
P3777
P3776
P0
P3775
P3774
P1468
P3773
P2368
P3772
P3771
P2365
P3769
P3766
P2360
P3765
P3763
P3761
P3760
P3759
P1454
P3758
P3757
P3756
P3755
P3754
P3752
P3751
P3750
Atom HD2 of residue 37
Atom CG of residue 83
P3748
P3745
P3744
P1440
P3743
P3742
P2339
P3740
P3739
P3736
P3733
P3731
P3730
Atom O of residue 29
P3729
P1426
P3728
Atom CA of residue 29
P3727
P3725
P8183
ASN
P3722
P3720
Restraint 22
P3717
P3716
Atom C of residue 40
Atom CA of residue 36
P3714
P1412
P3713
P3711
P3708
P3707
Atom O of residue 8
P3706
P2307
P3705
Atom CD of residue 121
P3703
P3702
P3701
P3700
P3699
P3697
P3696
P3694
P3693
P3692
P3691
GLY
P3690
P3686
P3685
Atom CA of residue 128
P2288
Atom HG1 of residue 9
P3684
P1384
P2286
P3683
P3682
P3681
P3679
P3677
P7135
P3676
P3675
P3674
P3673
P3671
P3669
P3668
P3667
P1366
P3666
P3664
P3663
P2267
P3662
P3661
Atom CA of residue 125
Atom HB3 of residue 8
P3660
P3653
P2259
P3652
P1352
P3651
P3649
P3646
P3643
P3642
Atom CD2 of residue 123
P3641
P8101
P3640
P3639
P1340
P3637
P3636
P2099
Atom CB of residue 31
P3633
P3632
P3629
P3628
P3623
P3622
Atom HG22 of residue 30
P3621
P3619
P3618
P3617
P3615
P3614
P3613
P3612
P3611
P3609
P3607
P3603
P2214
P3602
Atom HB3 of residue 6
P3601
P2211
P8469
P3599
Atom CD of residue 42
P3597
P3596
P2206
P3595
P3594
Atom OG1 of residue 66
P3593
P3591
P3589
P3588
P3587
P3586
P3585
Atom CG1 of residue 13
P3584
P3583
P3582
P3581
P3580
Atom CB of residue 65
P3579
P2190
P3577
P3576
P3574
P2017
Atom H of residue 28
P3573
P3572
P3571
P3569
P3568
Atom HA of residue 64
P2182
P3567
P3566
P3565
P3564
P3563
P3562
P3561
P3558
P3557
P3555
P3553
P3552
P1317
P3551
P3550
P2166
P3549
P1992
Atom CG of residue 27
P3548
P3547
P3546
P1971
P3544
P3543
P3540
P3539
P3538
P3537
P3536
Atom CA of residue 5
P3534
P3533
Atom H of residue 26
P3532
P3531
P3507
P2056
P3528
P3527
P3525
P3524
P3521
VAL
P3520
P3519
P3518
P2137
P2
P3517
P3516
P2134
P3514
P2132
P3513
Atom N of residue 62
P3512
P0
P3511
P3509
P3508
P3506
P3505
P3504
P434
Atom HA of residue 24
P3502
P1809
P3501
P3
P3499
P3498
P3497
P3495
P3494
P3492
P3491
P3489
P3488
P3486
P3484
P3433
P3431
P3430
P3429
Atom HH21 of residue 74
P3428
P3426
P3424
P3422
Atom HG2 of residue 19
P3419
P3418
Atom HA of residue 74
P3417
P3416
Atom HD21 of residue 56
P3415
P3413
P3411
P3409
P3408
Atom HG2 of residue 18
P3407
P3353
P1670
P3352
P3348
P3347
P3345
P2059
P3344
P3341
Atom HG13 of residue 5
P3338
P1656
P3337
P3336
P3334
ASP
P3332
P3330
P3329
Atom HG22 of residue 9
P3328
P3327
P3326
P3325
P3324
P3323
P3321
P3320
P2042
P3319
Atom CB of residue 9
P3318
P3315
P3314
P3313
P3312
P3310
P3309
P1628
Atom HD11 of residue 50
P3307
P3305
P3304
P5148
P3302
P3300
P2
P3298
P3297
Atom O of residue 50
P3296
P3295
P3294
P1614
P3292
Atom HG12 of residue 44
P3290
P3289
P3288
Atom H of residue 44
P3287
P1607
P3286
P3285
P3284
Atom HG21 of residue 7
P3283
P3
P3282
P3281
P3279
Atom CG of residue 49
P1600
P3277
P3276
P3275
P3270
P6728
P3269
Atom HE3 of residue 48
P3268
P3267
P3265
P3264
P1586
P5108
P3262
P3261
P1579
P3256
P3254
P3252
P3250
P3249
P1572
P3247
Atom HA2 of residue 47
P3245
P3244
P3243
P2089
P3242
P1565
P3241
P2809
Atom HG23 of residue 13
P3240
P3239
P3237
Atom N of residue 11
P3236
P3235
P3234
P1558
P3232
Atom O of residue 46
P3231
P3230
P2798
P1810
Atom CG1 of residue 13
P3229
ALA
P3228
P2075
P3227
P1551
P3226
P3225
Atom HE1 of residue 45
P3224
P3221
P3220
P3219
P3216
Atom CE2 of residue 45
P3215
P3214
P2061
P3212
P1537
P3211
P3209
P3199
P3197
P3195
P3191
P332
P2758
Atom CA of residue 10
P1
P3189
P3188
Atom CG1 of residue 44
P1516
P2043
P3187
P1912
P3186
P3185
P3184
P3183
P6446
P2751
Atom N of residue 9
P7643
P3182
P1509
P3181
P3179
P3175
P3174
P1898
P3171
P3170
Atom CD2 of residue 43
P3169
P3168
P3167
P1495
P3166
P3164
P3161
P3160
P1687
P2728
Atom HG23 of residue 7
P3159
P1488
P2015
P3157
P1884
P3156
P3155
P3153
P3152
P1481
P3151
P3150
P3149
P3146
P1329
P3145
P2713
Atom H of residue 22
P3144
P3143
P1870
P3141
P3140
P3139
P3138
P3137
P1467
P3136
P3135
P3134
P3130
P3129
P3128
P1460
P1987
P3127
P3125
Atom NE2 of residue 41
P3124
P3123
P3122
P1453
P3121
P6578
P3119
P3116
P3115
P2928
P2927
P2925
P2924
P2922
P2921
SingletonScore 4
P2920
P2919
P2918
P2917
Atom HZ2 of residue 29
P2916
P2915
P2913
P2912
P2911
P2910
P2909
P2908
P2907
P2906
Atom HA of residue 29
P2905
P2904
P2903
P1
P2902
P2900
P2899
P2898
P2897
P2896
P2894
P2893
P2892
P2891
P2890
P2888
P2887
P2886
P2885
P2884
P2883
P2882
P2881
P2878
P2876
P2872
P2871
P2870
P2869
P2867
P2866
P2863
P7709
P2862
P2861
P2860
P2859
P2858
P2857
P2855
P4099
P2854
P4098
P2853
Atom HG13 of residue 26
P2852
P7698
P2851
P2849
P2847
P2845
P2844
P2843
P2842
Atom C of residue 26
P2841
P2840
P2839
Atom N of residue 26
P2838
P2837
P2836
P2834
P2833
P2830
P2829
P2828
Atom CB of residue 25
P2827
P2826
P2011
P2825
P2824
P2823
P2822
P2821
P2819
P2817
P2815
P2814
P2812
P2811
P1997
P2810
P2808
P2806
P2805
P2804
P2803
P2797
P2796
P1983
P2795
P2792
P2791
P2790
P2789
P2787
P2785
P2782
P2781
Atom H of residue 13
P2779
P2777
P2776
GaussianProcessInterpolation79
P2775
P2772
P2771
P2767
P2766
P2765
P2764
P2763
P2762
P2761
P2760
SER
P6
P2759
Atom HD3 of residue 19
P2757
Atom O of residue 61
P2752
P7597
P2750
P2749
P2748
P2747
Atom OG of residue 20
P2746
P2745
P2744
P2742
P2741
P2736
P2735
P2732
P8497
Atom HG23 of residue 17
P2731
P2730
P2729
P2728
P2725
P2724
P2721
P2680
P2679
P2677
P2676
P2675
P2673
P2671
P2670
P2669
P2667
P2666
P2665
P2664
P2660
P2659
P2658
P2656
P2653
P2652
P2649
Atom CZ of residue 54
P2063
P2647
P2646
P2645
P2642
P2641
P2639
P2637
P2636
P2634
P2633
Atom HG3 of residue 74
P2631
P2630
P2627
P2626
P2625
P2624
P2623
P2621
P2612
P2611
P2610
P1311
P2608
P2606
P2605
P2604
P2603
P2602
P2601
P2599
P2598
P2597
P2593
P2591
P2589
P2588
P2587
P2586
P2585
P2584
P2583
P2581
P2578
P2577
P6036
P2575
P6034
P2573
P6033
P2572
P6032
P2571
P6030
P2569
P6029
P2568
P6028
P2567
P6027
P2566
P6026
P2565
P2564
P2556
P2554
P2553
P2552
P7399
Atom HE3 of residue 1
SingletonScore 19
P2551
P2549
P2541
P2538
P2536
P6526
P2535
P2534
P6523
P2532
P5512
P1892
P2523
P2519
P2518
P2517
P2515
P2511
P2508
Model 419
P2507
P6494
P2506
P6491
P2503
P2080
P2498
P2496
P2494
P2493
P2491
P1858
P2490
P2489
P2486
P2483
P2069
P2478
P6847
P2476
P2474
P2473
P2470
P2467
P2466
P2464
P2463
P2461
P2460
P2450
P1845
P2449
P5429
P2448
P2446
P2443
P2440
P5418
P2438
P1833
P2437
P2435
P2029
P2434
P2431
P6409
P2429
P2425
P2419
P6783
P2418
P2415
P6388
P2410
P2406
Atom CA of residue 16
P2405
P2402
P8544
P2401
P8541
P2399
P2398
P2397
P2390
P2387
P2386
P2385
P2384
P2382
P6356
P2381
P2374
P2371
P2370
P2367
P2363
P8384
P2361
P2360
P5330
P2358
P2357
P8376
P2354
P6324
Atom HZ1 of residue 11
P2352
P2348
P2344
P2342
P6913
P8508
P2339
P5308
P2338
Atom HG13 of residue 13
P2337
P6910
P2336
P2329
P2325
P2324
P2321
P2319
P2316
P2313
P2310
P8477
P2309
P6878
P2307
P2300
P2295
P2293
P2292
P6860
P2291
Atom H of residue 22
P5244
P2280
P2278
P2277
P2276
P6239
Atom CG of residue 2
P2275
P6236
P2272
P2271
P2268
P2264
P6828
P6611
P2262
P2261
P6825
Atom HD11 of residue 50
P6608
P2259
P2258
P2252
P8312
P2251
P2249
P2248
P2242
P2239
Atom HB3 of residue 29
P2238
P2233
P5191
P2232
P2231
P6793
P8289
P2230
P2229
P8286
P2228
P2226
P2217
P2214
P2212
P2211
P2210
P2209
P2204
P5159
P2203
P2098
P2201
P6154
P2198
P6151
P2195
P6753
P6536
P2194
ARG
P6750
P6533
P2191
P2187
P2185
P2181
P6133
P2179
Atom HG23 of residue 13
P2178
P2175
P2174
P4931
P6729
P2172
P2171
P2169
P6507
P2168
P2155
P2154
P6489
P2151
P5100
P2149
P6700
P2146
P2143
P2142
P2140
P2138
P2136
P8402
P2132
P2128
P2126
P2124
P6462
P2123
P2120
P2119
P2703
P2117
P2116
P7163
P2115
P2114
P7545
P2112
P4544
P2111
P2109
P2108
P4151
P4616
P7141
P2170
P2101
P2098
P2097
P2088
P2085
P2083
Atom HG1 of residue 12
P2082
P2662
P2077
P2076
P7122
P2075
P2074
P2071
P7107
Atom CD of residue 54
P2061
P2054
Atom O of residue 60
P2030
P2051
P3389
P2049
P2048
P8406
P2047
P2046
P7853
Atom CG of residue 49
P3964
P3943
P2045
Atom CA of residue 53
Atom CB of residue 49
P7400
P2044
P2540
Atom O of residue 49
P2043
P2041
P2039
P2037
P2035
P2034
P2530
P8391
P2033
P2032
P3949
P2507
P7385
P2030
P286
P2023
P2022
P2020
P4414
P1998
P1997
P4410
P1994
P7169
P4185
Atom H of residue 11
P1993
P1992
P1986
P4695
P1984
P1979
P1975
P1974
P5392
P4002
P1973
P1970
P1969
P1963
P3770
P7466
P1687
P1961
P7457
P3761
P1957
P1956
P1955
P5575
P5563
P1954
P1953
P1952
P1947
P1946
P3989
P1944
P1942
P1941
P3985
P1940
P1939
P8077
P6977
P1937
P2580
P1936
P1545
P1935
P4510
P1934
P3975
P1931
P1929
P1928
P1922
P1921
P4495
P1920
P1911
P8047
P6947
P1909
P1908
P4480
P1906
P1527
P3945
P1903
P7403
P1901
P8032
P6932
P1895
P1894
P1893
P4465
P1892
P1890
P3930
P1889
P1886
P1880
P1879
P4450
P1878
P3915
P1875
P1870
P8002
P1867
P6901
P1866
P1471
P1865
P4435
P1864
P1482
P7361
P1862
P3900
P1861
P1856
P1461
P7987
P1853
P1852
P6885
P1851
P4420
P1850
P1848
P7345
P3885
P1847
P1845
P3382
P1842
GridCPF
P1841
P1834
P7956
P1824
P6454
P1818
P5064
P1815
P6450
P1814
P1810
P1808
P4857
P6657
P1805
P1804
P1802
P5049
P1801
P6435
P1800
P1799
P5045
P1797
P1794
P1792
P1790
P2503
P1788
P1787
P1783
P1780
P1778
P1776
Atom HG2 of residue 19
P1774
P1773
P5018
P1772
P1771
P6016
P1770
P1766
P1765
P2480
P1764
P1760
P5003
P1758
P1757
P6001
P1756
P1752
P1750
P1746
P1745
Atom CA of residue 6
P4988
P1744
P1743
P5986
P1742
P1740
P1738
P1736
P6362
P1732
P1731
P1729
P1724
P1717
P4958
P1716
P1715
P5956
P1714
P1710
P1709
P1706
P5941
P1700
P1699
P1698
P1695
P1692
Atom HA3 of residue 76
P1690
P1688
P5926
P2404
P1686
P1685
Atom HB2 of residue 24
P1684
P1681
P1678
P1676
P5911
P1672
P6504
P2381
P1662
P5896
P1658
P1653
P2371
P1652
P1650
P1648
P1645
P5881
P4881
P1644
P1643
P1642
P1640
P1639
P1638
P1629
P1622
P4853
P1620
P6458
P6241
P1619
P1615
P1614
P1608
P4837
P6226
P1605
P1604
P5836
P1602
P1600
P1596
P2315
P1594
P1592
P1582
P1580
P6413
P1320
P1577
Atom HG3 of residue 54
P6195
P1576
Atom HG2 of residue 54
P1575
P5806
Atom HB3 of residue 54
P4806
P1574
P1569
P4798
P1566
P1564
P6398
P1563
P1562
P1561
P5791
P2282
P1560
P4783
P1552
P2272
P1550
P6383
P1549
P6164
P1547
P5776
P1546
P1542
P1541
P4768
P1538
P6368
P1535
P1534
P6149
P1533
P5761
P1532
P1530
P1527
P1525
P1522
P1520
P5746
P1518
P2239
P1516
P1513
Atom N of residue 33
P1511
P1508
Atom HG3 of residue 18
P6338
P1507
P5731
P1504
P1502
P1499
P1494
P6323
P1493
P6104
P1491
P5716
P1490
P1488
P1486
P1485
P1483
P1480
P6307
P1478
P5205
P8195
P6089
P1477
P1474
P1472
P1469
P4693
P1468
P1465
P6292
P1464
P1460
Atom CA of residue 3
P1457
P4678
P1454
P6277
P1450
P5175
P8165
Atom N of residue 32
P1449
P5671
P2173
P6058
P1448
P1446
P1444
P1443
P4663
P1440
Atom CG of residue 6
P6262
P1436
Atom HB of residue 5
P5160
P8150
P1435
P5656
P6043
P1434
P1432
Atom CG of residue 54
P1430
P1415
P2140
P1414
P1410
P1409
P1407
P5129
P8119
P5626
P6013
P1406
P1404
P1402
P1400
P4618
P1398
P8104
P5611
P5998
P1392
P1390
P1386
P1383
P1382
P1381
P5529
P6164
P1490
P1375
P8052
P5559
P1489
P1374
P1372
P1370
P1368
P1367
Atom HD1 of residue 4
P1365
P1364
P1363
P1362
P8072
P5579
Atom CG1 of residue 5
P1360
P1358
P1355
P1354
Atom CD of residue 48
P1351
P1350
P1349
P1348
P8057
P5564
Atom HG3 of residue 11
P1346
P8055
P5562
P1344
P5948
P1343
P1341
P1339
P1338
P1337
P5936
P1333
P1331
P1890
P1328
P0
P3610
P1326
P3608
P1324
P1322
Atom O of residue 8
P1321
P1313
P1312
P7094
P1310
P1306
P6060
P4959
P7949
P3732
Atom C of residue 60
P2029
P2050
P4242
P1599
P1326
P1403
P4616
P7606
P4593
P2114
P4407
P7214
P4599
P7202
P4587
P8499
Atom CA of residue 30
P4855
P1348
P6377
P3694
P2372
P5582
P7409
P8254
P7048
P3310
Model 70
P1955
P438
Atom O of residue 25
P7261
Atom HA3 of residue 76
Atom HA2 of residue 76
P7966
P2515
P4521
Atom O of residue 76
Atom H of residue 75
P4473
GLY
Atom N of residue 75
Atom HH12 of residue 74
Multivariate Normal distribution 45
P2648
Atom HE of residue 74
Atom HD2 of residue 74
Atom HG2 of residue 74
Atom HB2 of residue 74
Atom NH1 of residue 74
Atom CZ of residue 74
Atom H of residue 2
Atom CG of residue 74
ARG
P7073
Atom HD22 of residue 73
Atom HD11 of residue 73
Atom HG of residue 73
P1973
Atom CD1 of residue 73
Atom C of residue 73
Atom N of residue 73
P7052
Atom HH22 of residue 72
P2600
Atom HH21 of residue 72
Atom HH11 of residue 72
Atom HD3 of residue 72
P4246
Atom HD2 of residue 72
P6038
Atom HG3 of residue 72
Atom HG2 of residue 72
Atom HB3 of residue 72
P4935
Atom HB2 of residue 72
P4239
Atom H of residue 72
Atom NH2 of residue 72
P4237
Atom NH1 of residue 72
P6041
P4940
P7930
Atom NE of residue 72
Atom CG of residue 72
Atom CB of residue 72
Atom O of residue 72
Atom C of residue 72
P6863
Atom HD23 of residue 71
P6334
Atom HD22 of residue 71
Atom HD21 of residue 71
P2971
Atom H of residue 71
P4816
Atom CD2 of residue 71
Atom CG of residue 71
Atom CB of residue 71
P7548
Atom N of residue 71
Atom HG23 of residue 70
P2780
Atom HG21 of residue 70
P7240
P4625
Atom HG12 of residue 70
P7238
P4623
Atom HB of residue 70
CHARMMStereochemistryRestraint5
Atom CB of residue 17
Atom CB of residue 23
P2788
Atom HA of residue 70
Atom CG2 of residue 70
Atom CG1 of residue 70
P2879
Atom CB of residue 70
Atom O of residue 70
Atom CA of residue 70
Atom CB of residue 27
VAL
Atom HD23 of residue 69
P7833
Atom HD13 of residue 69
P4827
Atom HB3 of residue 69
Atom HB2 of residue 69
P4689
Atom H of residue 69
Atom CD1 of residue 69
P3251
P2808
Atom CA of residue 69
P4097
P8479
Atom HD1 of residue 68
Atom HB2 of residue 68
Atom HA of residue 68
P3436
P5242
P3424
P5230
P2161
Atom NE2 of residue 68
Atom CE1 of residue 68
Atom CG of residue 68
Atom O of residue 68
Atom C of residue 68
P7122
Atom CA of residue 68
Atom N of residue 68
Atom HG of residue 67
Atom HB2 of residue 67
P2188
P7606
Atom H of residue 67
Atom CD2 of residue 67
Atom CD1 of residue 67
Atom C of residue 67
P3446
Atom CA of residue 67
LEU
Atom N of residue 67
Atom HG23 of residue 66
P3441
Atom HG21 of residue 66
P4157
Atom CG of residue 67
P4622
P7147
Atom HG1 of residue 66
Atom HA of residue 66
P4053
P2208
P4050
Atom CG2 of residue 66
Atom CB of residue 66
P8050
Atom CA of residue 66
THR
Atom N of residue 66
Atom HB3 of residue 65
Atom HA of residue 65
Atom H of residue 65
Atom CD of residue 11
Atom OG of residue 65
Atom O of residue 65
Atom C of residue 65
SER
Atom N of residue 65
Atom HG3 of residue 64
P2185
P3570
P5412
P4022
Atom OE2 of residue 64
P2181
Atom CG of residue 64
Atom CB of residue 64
Atom CA of residue 64
P3556
Atom HZ2 of residue 63
Atom HZ1 of residue 63
Atom HE3 of residue 63
P5390
P4000
P2160
P5387
P3997
Atom NZ of residue 63
P6999
Atom CE of residue 63
Atom CG of residue 63
Atom CA of residue 63
Atom HE22 of residue 62
Atom HG3 of residue 62
P3526
Atom HB3 of residue 62
Atom HB2 of residue 62
Atom HA of residue 62
P2141
Atom H of residue 62
P3522
Atom OE1 of residue 62
Atom CD of residue 62
P3974
Atom CG of residue 62
P5363
Atom CB of residue 62
P3515
Atom C of residue 62
Atom CA of residue 62
Atom HD13 of residue 61
P5356
Atom HD12 of residue 61
P3510
Atom HD11 of residue 61
Atom HG23 of residue 61
Atom HG22 of residue 61
Atom HG21 of residue 61
P3960
Atom HG13 of residue 61
P5347
Atom HA of residue 61
Atom H of residue 61
Atom CD1 of residue 61
P5344
P1805
P5341
Atom CG2 of residue 61
Atom CB of residue 61
P3490
P1796
Atom C of residue 61
P3487
Atom N of residue 61
P1794
Atom HD21 of residue 60
P1793
Atom HB3 of residue 60
P3940
P1792
P3937
Atom H of residue 15
Atom HB2 of residue 60
Atom N of residue 60
P3923
Atom HE2 of residue 59
Atom H of residue 59
P3903
Atom CA of residue 59
Atom HB2 of residue 58
Atom HA of residue 58
P3441
Atom H of residue 58
P3889
P6892
Atom CA of residue 58
P3423
Atom C of residue 57
P3420
Atom N of residue 57
Atom HD13 of residue 56
Atom HD11 of residue 56
Atom H of residue 56
P3861
Atom CD2 of residue 56
P2112
Atom O of residue 56
P1706
Atom H of residue 55
Atom OG1 of residue 55
Atom N of residue 55
P7840
Atom HH21 of residue 54
Atom HH11 of residue 54
Atom HD3 of residue 54
Atom HD2 of residue 54
P3363
Atom CZ of residue 54
Atom CB of residue 54
P3811
Atom CA of residue 54
Atom HA2 of residue 53
P3349
Atom O of residue 53
P3342
Atom H of residue 52
Atom CG of residue 52
Atom CB of residue 52
P3335
Atom O of residue 52
Atom C of residue 52
Atom N of residue 52
Atom HA of residue 51
Atom H of residue 51
P2046
Atom OE2 of residue 51
P3778
P2045
Atom OE1 of residue 51
P2044
Atom CD of residue 51
Atom CG of residue 51
Atom O of residue 51
P3317
Atom CA of residue 51
GLU
Atom HD23 of residue 50
Atom HD13 of residue 50
Atom HD12 of residue 50
Atom HG of residue 50
Atom HB2 of residue 50
Atom HG of residue 8
P3303
Atom H of residue 50
Atom CD1 of residue 50
Atom CB of residue 50
Atom C of residue 50
P3293
LEU
P3748
Atom N of residue 50
Atom HE22 of residue 49
P3291
Atom HE21 of residue 49
Atom HG2 of residue 49
P3741
Atom HB2 of residue 49
Atom HA of residue 49
P3739
Atom H of residue 49
P7738
P1598
Atom O of residue 49
P1597
Atom C of residue 49
Atom CA of residue 49
P7735
GLN
Atom N of residue 49
P1595
Atom HZ2 of residue 48
P1594
Atom HZ1 of residue 48
P3271
Atom O of residue 12
P1593
P3723
Atom HE2 of residue 48
P2111
Atom HD3 of residue 48
P3266
P2110
Atom HD2 of residue 48
P7724
P2108
Atom HG2 of residue 48
P2107
Atom HB3 of residue 48
Atom NZ of residue 48
P3255
Atom CG of residue 48
P7713
Atom NZ of residue 6
Atom O of residue 48
Atom CA of residue 48
Atom N of residue 48
Atom O of residue 47
Atom CA of residue 47
P2087
GLY
Atom HB3 of residue 46
Atom CB of residue 46
Atom HD1 of residue 45
Atom HB2 of residue 45
Atom HZ1 of residue 11
P7672
Atom CD2 of residue 45
Atom CG of residue 45
Atom O of residue 45
Atom C of residue 45
P1535
Atom CA of residue 45
PHE
Atom N of residue 45
Atom HD11 of residue 44
P7659
P5045
Atom HG22 of residue 44
Atom HG13 of residue 44
P3651
Atom HG12 of residue 44
P3649
P4099
Atom HA of residue 44
Atom H of residue 44
P1513
Atom C of residue 44
Atom CB of residue 3
Atom CA of residue 9
Atom N of residue 44
P3640
P1512
P3637
Atom HD23 of residue 43
Atom HD22 of residue 43
Atom HD11 of residue 43
P3176
Atom HG of residue 43
P7635
Atom HB3 of residue 43
P1892
Atom O of residue 43
P3165
P1891
Atom C of residue 43
LEU
Atom HH21 of residue 42
P3158
Atom HH12 of residue 42
Atom HH11 of residue 42
Atom HD3 of residue 42
P3154
Atom HD2 of residue 42
P7236
P4621
Atom HB2 of residue 42
Atom HA of residue 42
P2786
Atom CZ of residue 42
P2914
P7329
P1832
Atom CD of residue 42
Atom CG of residue 42
Atom CA of residue 42
P1469
ARG
Atom HE21 of residue 41
P4977
Atom HG3 of residue 41
P3131
Atom HG2 of residue 41
Atom HB3 of residue 41
P1851
Atom CG of residue 41
P3120
P1849
Atom O of residue 41
P6577
P1848
Atom C of residue 41
P3572
Atom CA of residue 41
P7572
P1971
Atom HG2 of residue 40
P1970
Atom HB3 of residue 40
P1968
Atom HA of residue 40
P3558
Atom CD of residue 40
P7561
Atom O of residue 40
Atom C of residue 40
P7558
GLN
P1959
Atom HB2 of residue 39
P3544
Atom OD1 of residue 39
P7547
Atom O of residue 39
Atom C of residue 39
Atom N of residue 39
Atom HD2 of residue 38
P4922
P1939
Atom HB3 of residue 38
P3530
Atom HB2 of residue 38
Atom HA of residue 38
P7536
P1409
P7533
Atom CG of residue 38
P1408
Atom CB of residue 38
P1406
Atom C of residue 38
Atom CA of residue 38
P4910
Atom HD3 of residue 37
Atom HG2 of residue 37
Atom HB3 of residue 37
Atom CB of residue 37
P4899
Atom O of residue 37
P4896
PRO
Atom HD13 of residue 36
P1912
Atom HD12 of residue 36
Atom HG23 of residue 36
P7505
Atom HG22 of residue 36
Atom HB of residue 36
Atom CG2 of residue 36
ILE
Atom H of residue 35
P3020
Atom CA of residue 35
Atom HB2 of residue 34
P7475
Atom HA of residue 34
Atom H of residue 34
Atom OE2 of residue 34
Atom CD of residue 34
Atom CA of residue 34
P3001
Atom N of residue 34
P7461
Atom HZ2 of residue 33
Atom HZ1 of residue 33
P1338
Atom HE2 of residue 33
Atom HG3 of residue 33
P2990
Atom HB3 of residue 33
P7450
Atom HA of residue 33
Atom H of residue 33
P1853
Atom CD of residue 33
Atom CA of residue 33
P2976
Atom N of residue 33
P7436
P6433
Atom HB2 of residue 32
P4819
Atom HA of residue 32
Atom H of residue 32
P8017
P1881
P2965
Atom C of residue 32
P4807
P1823
Atom CA of residue 32
P4804
Atom HE22 of residue 31
Atom HE21 of residue 31
Atom NE2 of residue 31
Atom CD of residue 31
Atom CG of residue 31
P7401
P4786
Atom HD11 of residue 30
Atom HG23 of residue 30
P4093
P7096
Atom HG21 of residue 30
P7779
Atom HG13 of residue 30
P2930
Atom HB of residue 30
Atom CD1 of residue 30
Atom CG2 of residue 30
P3378
Atom O of residue 30
Atom C of residue 30
P3375
ILE
Atom N of residue 30
Atom HZ1 of residue 29
P7376
P4761
Atom HE3 of residue 29
P1828
P3364
Atom HG2 of residue 29
P1827
Atom HB3 of residue 29
Atom CE of residue 29
Atom CD of residue 29
P3353
Atom O of residue 29
Atom C of residue 29
P3350
LYS
Atom N of residue 29
P3348
Atom HB3 of residue 28
P7353
P4738
Atom HB2 of residue 28
Atom HB1 of residue 28
P2889
Atom H of residue 28
P3336
Atom HZ3 of residue 27
Atom HZ2 of residue 27
P3332
Atom C of residue 2
Atom HE2 of residue 27
Atom CG of residue 1
Atom HG3 of residue 27
P3325
Atom HB2 of residue 27
Atom HA of residue 27
P3323
Atom H of residue 27
Atom CE of residue 27
P2864
Atom CG of residue 27
P3311
Atom HG23 of residue 26
Atom HG22 of residue 26
Atom HA of residue 26
P2848
Atom H of residue 26
Atom CG2 of residue 26
Atom HD22 of residue 25
P2017
Atom H of residue 25
P1
Atom O of residue 25
P7287
P4672
Atom C of residue 25
Atom CA of residue 25
ASN
P7284
P4669
Atom N of residue 25
Atom HB3 of residue 24
Atom HB2 of residue 24
Atom OE1 of residue 24
Atom CB of residue 24
Atom C of residue 24
Atom CA of residue 24
P1992
Atom N of residue 24
P1991
Atom HD13 of residue 23
Atom HD12 of residue 23
Atom HD11 of residue 23
P2799
Atom HG22 of residue 23
Atom HG21 of residue 23
P7259
P4644
Atom HG13 of residue 23
Atom HA of residue 23
Atom H of residue 23
Atom O of residue 17
Atom O of residue 23
P7248
P4633
Atom C of residue 23
P2770
Atom CA of residue 23
P2784
Atom N of residue 23
Atom HG23 of residue 22
Atom HE2 of residue 4
Atom HA of residue 22
Atom H of residue 22
P7838
Atom CG2 of residue 22
Atom O of residue 22
P2340
Atom C of residue 22
THR
Atom HB2 of residue 21
Atom CG of residue 21
P7220
P4605
Atom CB of residue 21
Atom O of residue 21
ASP
P7203
P4588
SER
Atom N of residue 20
Atom HA of residue 19
P7192
P4577
Atom CG of residue 19
Atom CB of residue 19
Atom CA of residue 19
P2716
Atom OE2 of residue 18
Atom CG of residue 18
Atom CB of residue 18
P8397
P5660
P5205
P3497
GLU
Atom HG22 of residue 17
Atom HG13 of residue 17
P8457
Atom HB of residue 17
Atom H of residue 17
Atom CG2 of residue 17
Atom CG1 of residue 17
P1571
Atom HA of residue 16
Atom OE2 of residue 16
P11905
P6082
Atom CG of residue 16
P2188
P3070
Atom CB of residue 16
Atom O of residue 16
Atom CA of residue 78
Atom C of residue 16
Atom CA of residue 16
GLU
Atom HD23 of residue 15
Atom O of residue 69
P6528
Atom HD22 of residue 15
P1972
P2595
Atom HD21 of residue 15
P1796
Atom HD12 of residue 15
Atom HG2 of residue 2
Atom HD11 of residue 15
P4499
Atom HG of residue 15
P6442
Atom H of residue 63
Atom HA of residue 15
Atom C of residue 15
Atom CA of residue 15
Atom HG23 of residue 14
P1573
Atom HG22 of residue 14
Atom HG21 of residue 14
Atom HG1 of residue 14
P7544
Atom HB of residue 14
Atom CG2 of residue 14
Atom OG1 of residue 14
Atom C of residue 14
P1849
Atom CA of residue 14
THR
P6437
P7824
Atom N of residue 14
Atom HD12 of residue 13
P7280
Atom HG22 of residue 13
P7279
Atom HG21 of residue 13
Atom CD1 of residue 13
Atom CG2 of residue 13
P7423
Atom CB of residue 13
Atom O of residue 13
Atom C of residue 13
Atom CA of residue 13
ILE
Atom HG21 of residue 3
Atom HG23 of residue 12
Atom HB of residue 12
P7208
P4224
THR
P7196
P4212
Atom HA of residue 12
Atom C of residue 31
P5475
Atom CB of residue 12
Atom CA of residue 12
P1376
THR
Atom N of residue 12
Atom N of residue 75
Atom HZ3 of residue 11
Atom HE3 of residue 11
P7529
Atom HE2 of residue 11
P4927
P1687
Atom HD2 of residue 11
P2416
Atom HG3 of residue 11
P7101
P4089
P2134
P5200
Atom HB3 of residue 11
P4912
P1673
Atom HB2 of residue 11
Atom HA of residue 11
Atom H of residue 11
P2306
Atom CB of residue 11
Atom O of residue 11
P7593
P8057
Atom N of residue 35
Atom C of residue 11
P8162
P4168
Atom CA of residue 11
Atom H of residue 10
Atom O of residue 10
Atom C of residue 10
Atom CD of residue 128
Atom CA of residue 10
P8150
P4156
Atom N of residue 10
P5533
Atom HG23 of residue 9
P3688
Atom HG22 of residue 9
P2283
P3680
Atom H of residue 9
P3678
Atom CB of residue 9
Atom HG2 of residue 37
Atom HG2 of residue 33
Atom O of residue 9
Atom C of residue 9
P2273
Atom HD23 of residue 8
Atom HD22 of residue 8
Atom HD13 of residue 8
LYS
Atom HG of residue 8
P2263
Atom HA of residue 8
Atom H of residue 8
Atom CD2 of residue 8
Atom CG of residue 8
P5493
Atom CA of residue 8
P3648
Atom CZ3 of residue 123
P4110
LEU
Atom HG23 of residue 7
ILE
Atom HG3 of residue 31
P3644
Atom HG22 of residue 7
P2077
P6834
Atom N of residue 36
Atom HG2 of residue 31
Atom HG21 of residue 7
P3638
P7095
Atom HA of residue 7
Atom H of residue 7
Atom CD of residue 31
P1337
Atom CG2 of residue 7
P5060
Atom CG of residue 31
Atom OG1 of residue 7
Atom O of residue 7
P2773
Atom C of residue 7
Atom CA of residue 122
THR
Atom OE2 of residue 34
Atom HD13 of residue 30
Atom NE2 of residue 121
Atom HZ3 of residue 6
Atom HZ2 of residue 6
P3624
Atom HZ1 of residue 6
Atom HE3 of residue 6
Atom HE2 of residue 6
P5463
Atom HD2 of residue 6
Atom HG3 of residue 6
P4058
Atom HG2 of residue 6
Atom HB2 of residue 6
Atom H of residue 6
Atom O of residue 6
Atom CA of residue 6
Atom HG22 of residue 5
Atom HG11 of residue 5
Atom HB of residue 5
Atom HA of residue 5
P6254
Atom N of residue 2
Atom CG1 of residue 5
Atom O of residue 5
Atom HZ of residue 4
P4003
Atom HD2 of residue 4
P4924
Atom HG3 of residue 38
P4912
Atom HB3 of residue 4
P7246
P4631
Atom HA of residue 4
Atom H of residue 4
Atom CE2 of residue 4
P2720
Atom CD2 of residue 4
Atom O of residue 4
Atom HD13 of residue 3
Atom HB of residue 3
Atom H of residue 3
P2769
Atom CG1 of residue 3
Atom C of residue 3
Atom N of residue 3
P5441
Atom H of residue 66
P5429
Atom HG3 of residue 2
P3600
Atom HG2 of residue 2
P7196
P1939
P4581
Atom HB2 of residue 2
Atom H of residue 2
Atom NE2 of residue 2
Atom CB of residue 2
Atom O of residue 2
P3862
Atom C of residue 2
Atom HE1 of residue 1
Atom HG3 of residue 1
P7086
Atom HB3 of residue 1
Atom HB2 of residue 1
Atom HA of residue 1
P0
Atom H of residue 1
Atom SD of residue 1
Atom O of residue 1
P7621
Atom C of residue 1
Atom CA of residue 1
P1773
Atom N of residue 1
PairScore 11
Model 399
P4335
phys
Atom CA of residue 61
P5859
P1788
P1968
P5715
ClosePairContainer
P4330
GridCPF
PairPredicate 8
UnaryFunction27
P5082
AngleSingletonScore8
P8562
P5378
P3475
P8557
P8556
P9822
P8555
P5827
P8554
P5825
P8553
P8552
P39
P8551
P8547
P9809
ListSingletonContainer165
P8543
P3458
P3455
P8541
P5355
P8539
P8536
P3450
P8527
P8524
P8523
P8522
P8521
P8519
P9776
P7161
P8512
P3425
P3422
P8510
P8507
P8506
P8505
P5776
P8504
P9760
P2122
P7145
P8497
P2121
P8496
P8493
P8492
P8491
P8490
P8488
P5754
P1803
P8486
P8483
P7126
P8479
P8477
P8476
ListSingletonContainer123
P8475
P5286
P8474
P8473
P8472
P5739
P1789
P8471
P5737
P8470
P5280
P8468
ListSingletonContainer164
P8464
ListSingletonContainer67
P8463
P8461
P8458
P8457
P5268
P8456
P8453
P7095
P8449
P5260
P8448
P8446
P9710
P5258
P8445
P1763
P5256
P8444
P8443
P8442
P8439
P5250
P1756
P8438
P8437
P8436
P8431
P8427
P5237
P8425
P5235
P8424
P8423
P1738
P8420
P5229
P8418
P8414
P8408
P7053
P3315
P1724
P8405
P8404
P8403
P8402
P7047
P3309
P8400
P8392
P8391
P7035
P3297
P8389
P8387
P8386
P8385
P1703
P5192
P8383
P8381
P8380
P8377
P8375
P5636
P8374
P8372
P5179
P8370
P1689
P5177
P8369
P8367
P8366
P8365
P1683
P8364
P8362
P8360
P8356
P8355
P6997
P3259
P5160
P8352
P5158
P8351
P8348
P6986
P8346
P8345
P1663
P8344
P8343
P8342
P8341
P8340
P8337
P3240
P3233
P9583
P2592
P8328
P9581
P2590
P8327
P8326
P1646
GeneralizedGuinierPorodFunction 67
P5131
P8325
P8323
P9575
P2584
P8321
P8320
P8319
P8318
P6955
P8316
P6953
P8315
P8314
P8313
P8309
P8308
P2568
P8305
P5104
P8301
P8299
P9550
P5555
P8295
P3196
P3193
P1614
P8292
P8291
P6930
P8290
P6928
P8289
P8288
P5090
P8284
P6922
P8283
P8282
P8277
P3012
P5550
P7383
P8275
P8273
P8272
P8271
P8269
P8267
P7352
P8265
P2330
P3633
P2327
P3630
P8261
P3631
P8258
P2321
P8255
P2317
P8251
P3609
P3606
P8250
P8249
P8247
P8245
P8244
P7342
P5963
P8241
P5508
P8240
P7340
ListSingletonContainer104
P8239
P8238
P9951
P8234
P8232
P4343
P8219
P4342
P8218
P200
P8397
P8212
P8210
P8209
LEU
P8208
P8206
P4326
P8387
P8202
P8186
P8141
P8136
Atom O of residue 64
P8135
P2649
P5150
P8134
P8131
P8130
P8129
P8127
P8126
P8125
P8124
P1985
Atom HD11 of residue 67
P8123
Atom HG2 of residue 63
P8121
P8118
P8117
P8116
P8115
P10954
P159
Atom NZ of residue 63
P8114
P8113
Atom O of residue 67
P8112
P7376
P8075
P2593
P7375
P8074
P122
Atom HB3 of residue 62
P8031
P121
P8030
P8022
P8020
P8019
P8018
P8017
P8014
P2536
P8013
P8011
P8010
P8009
P8008
P8007
P8005
P8004
P8003
P2482
P8002
P7997
P7996
P7995
P106
P7994
P7993
P7992
P7990
P7988
P7987
P7985
P7979
P7978
Atom O of residue 60
Atom CD1 of residue 56
P7977
P7974
P4
P96
P7971
P2453
Atom HG23 of residue 55
P7970
P7969
P2494
P7968
P2450
P7967
P7966
P7965
Atom H of residue 59
Atom HA of residue 55
P7963
P7962
P7960
P7958
P7957
P7955
P7954
P2480
P7953
P7952
P2434
P7949
P7944
P7943
P7942
P7941
P7940
P7939
P2466
P7938
P7937
P7936
P7928
P7925
P2411
P7924
Atom H of residue 53
P7923
P2451
P7922
P7921
P7920
P7919
Atom HD12 of residue 56
P7918
P7917
P7914
P7913
P7912
P64
P7911
P7910
Atom CB of residue 52
P7909
P2437
Atom CB of residue 56
P7907
P7896
P5431
P2385
P7895
P57
P7894
P7891
P7890
P7888
P7887
P7884
P2405
P7873
P7841
P5372
Model 118
P7825
P5371
P7824
P7813
P7810
P7808
P10646
P7807
P7806
P7805
P7107
Atom O of residue 46
P7804
P7803
P5339
P7800
P7799
P7792
Atom HB3 of residue 49
Atom H of residue 45
P7790
P7789
P7787
P2285
P7785
P7784
P7783
P7781
P7780
P7778
P7775
P7773
P7771
P7759
P7758
Atom N of residue 60
P3856
Atom CD2 of residue 43
P7746
P7738
P7737
P7731
P10567
P7725
P5263
P7723
P5262
Atom HG3 of residue 42
P7722
P7720
P3835
P7719
P3834
P7718
P1524
P3833
P7717
P2421
P3832
P7716
Atom CD of residue 57
P7289
P3831
P2261
P7715
P5672
P2416
P3825
P7713
P3821
P2216
P7712
P8152
P4705
P7688
P8151
P4704
P7687
P8149
P4702
P7685
P4265
P2390
P8148
P4701
P7684
P4700
P8147
P7683
P4262
P2387
P4698
P8145
Atom HD11 of residue 43
P7681
P2190
P8144
P4697
P7680
P2223
P4695
P8142
Atom OE1 of residue 40
P7678
P8141
P4694
P7677
P4693
P7676
P4692
P7675
P4691
P7674
P4690
P7673
P4689
P7672
P4687
Atom O of residue 43
P7670
P4686
P7669
Atom N of residue 40
P4685
P7668
P4684
P7667
P2177
P4683
P7666
P4682
P7665
Atom OD2 of residue 39
P4681
P7664
P2209
Atom HH21 of residue 42
P4680
P7663
P4679
P7662
P4678
P7661
P4677
P7660
P4676
P7659
P7597
P4
P7595
Model 107
P7551
P2268
P7498
P7497
P7461
P7405
P4105
Atom ND2 of residue 25
P7404
P7371
P4369
P6653
P7351
P3910
P1764
Atom HB3 of residue 25
P7341
P7339
P3
P7337
P7336
Atom N of residue 59
P410
P7335
P1909
Atom CG of residue 21
P7334
P7332
P7331
P7330
P1753
P7329
P1886
P7328
P7326
P7325
Atom C of residue 58
P7324
Linear1DFunction 2
P7323
P7322
Atom HB3 of residue 57
P7319
P1855
Atom HB3 of residue 18
Atom CB of residue 23
P7758
P7294
P7755
P7291
Atom CG of residue 18
P4305
P7288
P7287
P4821
P7286
P7285
Atom CA of residue 55
P2090
P7284
P1710
P7283
Atom HA of residue 22
P7282
P7280
P7278
P6578
P7277
P7276
P7275
P2081
THR
P7274
P7273
P7272
P7270
P7269
P1696
Atom CG1 of residue 17
P7268
Atom HH12 of residue 54
P7267
P7261
P7260
Atom HG3 of residue 16
Atom CA of residue 21
P7257
P6559
P7254
P4788
P7251
P7234
P7233
P7232
P7231
P7229
Atom N of residue 53
P1662
P7228
P7226
P7225
P7224
P7223
P7710
LYS
P6512
P7219
P3333
Atom OE1 of residue 18
P7218
P10060
P1783
P6519
Atom HG22 of residue 14
P7216
Atom HG2 of residue 51
P7215
P7214
Atom HB2 of residue 51
P7213
P1645
P8178
P7078
P8177
P7077
P8176
P300
P7076
P8175
P7075
P4961
P1447
P8174
P7074
P8173
P7073
P8172
P7072
P8171
P7071
P8170
P7070
P8169
P7069
P4074
P6371
Atom CB of residue 9
P8168
P7068
P8167
P7067
P8166
P7066
P8164
P7064
P8163
P7063
P8162
P7062
P8161
P7061
P1629
P8160
P7060
P1433
P4943
Atom CA of residue 40
P8159
Atom OG1 of residue 9
P7059
P8158
P7058
P8157
Model 90
P7057
P8156
P7056
P8155
P7055
P8154
P7054
P8153
P7053
P8152
P7052
P8148
P7048
P8147
P7047
P8146
P7046
P4929
P7929
Atom CA of residue 39
P8145
P7045
P4931
P1419
P1609
P8144
P7044
P8143
P286
P7043
P7042
P1411
P3076
P7037
P3075
P283
P7036
P6338
P2643
ListSingletonContainer587
P0
P3074
P7035
P6997
P3012
P6267
P8073
P6973
P2981
P8042
P6942
P2980
P8041
P7405
P6941
Atom C of residue 33
P2979
P1512
P8040
P6940
P2978
P1511
P8039
P6939
P1847
P2977
P6423
Atom CB of residue 6
P1510
P8038
P6938
P1509
P8037
P6937
P3410
Atom HA of residue 31
P7381
P6917
P6916
P6898
P6897
P6896
P6893
P7355
P6891
P6836
P2873
P6834
P6783
P6782
P7881
P6781
P6780
P6779
P6778
P3270
Atom OE2 of residue 24
P6777
P6776
P6775
P6774
P6773
P6772
P6771
P6769
P2047
P6767
P6766
P6764
P167
P6762
P6761
P6760
P6759
P6758
P6757
P6756
P8547
P6754
P6753
P2033
P6752
P6751
P6750
P6749
P6748
P6747
P6744
P6743
P3234
Atom HG1 of residue 22
P6741
P6739
P6738
P2019
P8531
P6737
P6736
P6734
P6733
P6732
P6731
P6729
P6728
P6727
P6726
P3217
Atom OD2 of residue 21
P6724
P6723
P2005
P6722
P8516
P6721
P6720
P6719
P6717
P6716
P6714
P6713
P6712
P6711
P6709
P6708
P1991
P6707
P6706
P6705
P6704
P6703
P6702
P6701
P3179
Atom OE1 of residue 2
P6698
Atom HD11 of residue 73
P6697
P3189
Atom HB2 of residue 19
P139
P6696
P6694
P6667
P6666
P2105
P8463
P6665
P2103
P6663
P6662
P1948
P6661
Atom N of residue 13
P6660
P8457
P6659
P6658
P6657
P6655
P2092
P6653
P6652
P6651
P6650
P6622
P6621
P6615
P6614
P6613
P6612
P6611
P7709
P6609
ListSingletonContainer4
P6608
P6607
P6606
P6604
Atom CD of residue 11
CHARMMStereochemistryRestraint7
P6603
P6602
P7698
P6598
P6597
Atom CD of residue 74
P6595
Atom HA3 of residue 10
P6593
P1820
P6591
P8392
P6590
P6589
P6586
P8387
P6585
P6584
Atom HD13 of residue 73
P6583
P6582
P6581
P6579
P6578
P7064
Atom HA of residue 73
P6577
P6576
P7040
P6575
P6574
P6573
Atom CG of residue 73
P6572
P6571
P6570
P6569
P6567
P6563
P6561
P6560
P6558
Atom HG2 of residue 1
P8361
P6557
P0
Atom HB3 of residue 8
P76
P6556
P6555
P6553
P6552
P6551
P6550
P6549
P7606
P6506
P6505
P6501
P6500
P6498
P6495
P6493
P6450
P6448
P7547
P2525
P6447
P6446
P7545
P6445
P7540
P6440
P7539
P6439
P6438
P7537
P6437
P6436
P7535
P6435
P5735
P6433
P5733
P6431
P5731
P6429
P6409
P6408
P6407
P6406
P6405
P6403
P6402
P6401
P6400
P6399
P6398
P6397
P6396
P6395
P6393
P6392
P6388
P6387
P2469
P6385
P6383
P2466
P6382
P6381
P8324
P6380
P6379
P8323
P6378
P6374
P6371
P6370
P6369
P6368
P6367
P6366
P6365
P2450
P6364
P7463
P6363
P6362
P6360
P5660
P6358
P6357
P6356
P6355
P6354
P6352
P6350
P6346
P6344
P5838
P8397
P6343
P2430
P6342
P6341
P6340
P2427
P6339
P6338
P6337
P6336
P6335
P6333
P6331
P6329
P6328
P6327
P6326
P6324
P6323
P6322
P6321
Atom C of residue 3
P6320
P7418
P2408
Atom N of residue 3
P6318
P8371
Atom HE2 of residue 11
P6316
P6315
P6313
P6312
P6311
P6310
P6308
P6307
P6306
P6305
P6304
P6303
P6302
P6301
P6300
P6299
Atom CA of residue 75
P6298
P6296
P6295
Atom HH12 of residue 74
P6293
P6292
P6291
P6290
P2381
P6288
P6287
P6286
P6283
Atom H of residue 74
P6282
P6281
Atom NH1 of residue 74
P6280
P6279
P6278
P6277
P7373
P6273
P6270
P6269
Atom HD23 of residue 73
P6268
P2362
P6267
P6266
P6265
P6264
P6263
P6262
P6258
P6257
P6253
P6252
P6250
P6249
P6247
P2342
P6245
P2339
Atom HE of residue 72
P6242
P6241
P6240
P6238
P6237
P6236
P6235
P6234
P6233
P6232
P6231
P6230
P6227
P6223
P6220
P6218
P6217
P6216
P6215
P6212
P6211
P6209
Atom H of residue 71
P6208
P6206
P6205
P6204
P6203
P6202
P6200
P6199
P6197
P6196
P6195
P6194
P6193
P2294
Atom HG11 of residue 70
P6192
P6191
P6190
P6188
P6186
P6185
P6184
P6181
P6180
P6177
P6176
P6175
P6173
P6172
P6170
P6167
P6165
P6164
P6163
P6162
P6161
P2265
P6160
P6158
Atom HE1 of residue 68
P2262
P6157
P5458
P6156
P5457
P6155
P5456
P6154
P5454
P6152
P5453
P6151
P5452
P6150
P5451
P6149
P5449
P6147
P5447
P6145
P5445
P6143
P5444
P6142
P5443
P6141
P5442
P6140
P5441
P6139
P5438
P6136
P5437
P6135
P5435
P6133
Atom HD11 of residue 67
P6132
P5433
P6131
P5432
P6130
P5430
P2236
P6128
P5429
P6127
P6126
P6063
P6501
P6036
P6500
P6035
P6499
P6034
P6033
P2148
P6031
P6029
P6027
P6026
P6025
P6024
P6023
P6021
P5322
P6020
P3894
P2528
P6018
P6017
P6016
P6014
Atom CD1 of residue 61
P6013
P6012
P6011
P2129
P6010
P6009
P6008
P2050
P2122
P6006
P6003
P6002
P6001
P6000
P5999
P1904
P5998
P5996
P5995
P5993
P5990
P5989
P5988
P5985
P1890
P5983
P5982
P5981
P5979
P5977
Atom HB2 of residue 59
P5976
P5974
P5973
P5971
P3843
Atom CD1 of residue 59
P5967
P2480
P5965
P5963
P5961
P5960
P5959
P5958
P5957
P5956
P5955
P5954
Atom OD1 of residue 58
P1862
P5953
P5951
P5950
P5949
P5948
P5946
P5945
P5944
P5245
P162
P5943
P5942
P5940
P5939
P1848
P5938
P5937
P5936
P5935
P5432
P2451
P5933
P5932
P5930
P5929
P5927
Atom HD11 of residue 56
P5926
P5925
P5924
P5923
P5421
P2441
P1833
P5922
P5921
P5920
P5919
P5917
Atom O of residue 56
P5915
P5914
LEU
P5912
P5911
P5910
P2428
P5908
P1819
P5907
Model 16
P5906
P5905
P5897
P5896
P5894
P5893
P5892
P1804
P5891
P5890
P5889
P5888
P5887
Atom HG3 of residue 54
P5886
P5884
P5883
P5882
P5881
P5880
P5879
P5878
P1790
P5876
P5875
P5872
P5871
P5869
P5367
P2392
P5868
P138
P5867
P5866
P5864
P5863
P1776
Atom CA of residue 53
P5861
P5860
P5859
P5858
P5857
P5855
P5853
P5852
P5851
P5850
P5849
P5150
P5848
P5847
P5345
P2372
P5846
P1761
P5845
P5844
P5840
P5838
P126
P5834
P150
P5822
P5821
P5819
P5818
P5817
P5816
P1733
P5815
P5814
P5813
P5812
P2340
P5811
P5807
P5805
P5804
P5776
ListSingletonContainer518
P5773
P5772
P5768
Atom CB of residue 48
P1688
P5767
P5765
P5764
P5763
P5760
P5759
P6223
P5758
Restraint 116
P5757
P2290
P5756
P5755
P5754
P5751
P5748
P5747
P5745
P5744
P5743
P5741
P5740
P5739
P5736
P5735
P5733
P5729
P5728
Atom CD2 of residue 45
P5727
P5710
P5707
P5658
P5156
P2200
P1585
P5657
P5649
P5646
P5645
P66
P5642
P5640
Atom NE2 of residue 41
P5639
P5637
P5636
P5635
P5634
P5633
P5632
Atom CA of residue 41
P5631
P1559
P5629
P5627
P5626
P5624
P5621
P5620
P2166
P5619
P5618
Atom CD of residue 40
P5617
P5615
P5613
P5611
P5610
P5609
P2153
P5605
P5604
Atom OD1 of residue 39
P5603
P5601
P5600
P6699
P6696
P5596
P1530
P6698
P6695
P5595
P6697
P6694
P5594
P6693
P5593
P4893
P6691
P5591
P5592
P6692
P6689
P5589
Atom HA of residue 38
P5588
P6688
P6685
P5585
P5587
P6687
P6684
P5584
P5586
P6686
P1516
P6683
P5583
P6682
P5582
P6681
P5581
P6680
P5580
P6679
P5579
P5578
P6678
P6675
P5575
P5577
P6677
P6674
P5574
P5576
P6676
P6673
P5573
P6671
P5571
P6670
P5570
P1502
P6668
P5568
P5567
P5569
P6669
P5566
P5565
P5564
P5563
P5561
P5558
P5557
P5554
P4854
P6654
P4851
P6651
P5551
P4852
P5552
P1487
P6652
P4849
P6649
P5549
P4848
P6648
P5548
P5550
P4850
P6650
P6647
P5547
P6645
P5545
P6644
P5544
P6642
P5542
P1791
P6639
P5539
P5541
P6641
P6638
P5538
P5540
P6640
P6637
P1473
P8370
P5537
P6636
P5536
P30
P6635
P8369
P5535
Atom HG2 of residue 34
P5531
P6631
P6628
P5528
P5530
P6630
P6627
P5527
P5529
P6629
P6626
P5526
P6625
P5525
P5523
P5524
P6624
P5521
Atom O of residue 34
P5520
P5519
P8352
P5518
GLU
P5517
P6614
P6611
P5511
P6612
P6609
P5509
P1762
P6608
P5508
P1444
P6606
P5506
Atom HB3 of residue 33
P6605
P5505
P6603
P5503
P6602
P5502
P5504
P6604
P6601
P5501
P6599
P5499
P5500
P6600
P6597
P5497
P6596
P5496
P5498
P6598
P6595
P5495
Atom C of residue 33
P6594
P5494
P6592
P5492
Atom N of residue 33
P1430
P6591
P5491
P5493
P6593
P6590
P5490
P6588
P5488
P6587
P5487
P5489
P6589
P6586
P5486
P6584
P5484
P6583
P5483
P5485
P6585
P6582
P5482
Atom C of residue 32
P6580
P5480
P6579
P5479
P5481
P6581
P1734
P5478
P5477
P1416
P5476
P5474
P5473
P5472
P5471
P5469
P5468
P5467
P5466
P5465
P5464
P5461
P5460
Atom CA of residue 31
P5459
P5431
P6316
P1689
P5421
LYS
P5430
P5429
P5427
P5426
P8454
P5425
P5424
P5422
P5419
P5415
P1674
P5414
P5413
P5412
P5411
P5409
P5408
P5407
P5406
P5405
P8434
P5404
P5403
P5400
P1660
P5399
P5397
P5396
P5395
P5393
P5392
P5390
P5388
P5387
P5386
P5385
P1646
P5384
P5382
P5381
P5379
P5378
P5376
P5375
P5373
P5372
P5371
P5368
P5367
Atom HG12 of residue 26
P5366
P2348
P1628
P5365
P5364
Atom HA of residue 26
P8397
P5363
P5361
P5360
P5359
P171
P5356
P5355
P1617
P5353
P5352
P5350
P5349
P5348
P5347
P5345
P168
P5344
P5342
P5341
P6439
Atom CA of residue 56
P1601
P1603
P5338
P5337
P8473
P6438
P6435
P5335
P5801
P6437
P6434
P5334
Atom HB2 of residue 24
P5333
P6432
P5332
P5324
P5322
P5319
Atom N of residue 104
P5318
P5317
P5316
P5315
P5313
P5312
P5311
P5310
P5308
Atom CD1 of residue 23
P5307
P5306
Model 405
Atom HA of residue 54
P1572
P5305
P5303
P154
P5302
Atom OD1 of residue 101
P5301
P5300
P5299
P5297
Atom HG22 of residue 22
P5296
P5294
P5291
P5288
P5287
P5285
P5283
P5282
P5281
P1544
P5275
P5270
P5269
P5268
P5266
Atom HG21 of residue 5
P5264
Atom H of residue 20
P5263
P5262
P4566
ClosePairContainer
P5260
P5245
P5708
P5244
P5242
Atom HG1 of residue 9
P5241
P5240
P5238
P5237
P5236
P5234
ListSingletonContainer403
P5233
P5232
P5230
P5229
P1500
P5228
P5226
P8259
P5225
P5223
P5222
Atom HG12 of residue 17
P5217
P125
P5216
P5215
P5212
P4508
P5202
P4507
P5201
P1442
P8155
P5165
Atom CB of residue 6
P8154
P5164
P8148
P5158
P5150
P8530
P5148
P1360
P8503
P6220
P6217
P5117
P5116
P5115
P5114
P5112
P1351
P5111
P5110
P5105
P4603
P1384
P5104
P5102
P14
P5101
P5100
P5099
P5098
P1339
P5097
P5054
P5053
P5044
P8008
P5018
P5001
P7967
P4977
P7965
P4975
P7963
P4973
P7962
Atom CA of residue 17
P4972
P7958
P4968
P7956
P4966
P7952
P4962
P7942
P4952
P4945
P4944
P7932
P4942
P4937
P4936
P4934
P4933
P2417
P4932
P4931
P4930
P2414
P4929
P4928
P4927
P4926
P4925
P4924
P4923
P4922
P4921
P4920
P4919
P4918
P4916
P4914
P4913
P4912
P1
P2398
P4911
P4910
P4909
P4907
P4906
P4905
P4904
P4903
P4902
P4901
P4900
P4899
P4898
P4897
P4895
P4894
P4893
P7879
P2378
P4889
P4884
P4883
P4882
P4881
P4878
P4876
P4874
P4873
P4872
P4871
P4870
P4868
P5953
P4844
P4843
P4841
P4838
Atom HD11 of residue 69
P4837
P5923
P2316
P5920
P4836
P8501
P2321
P4825
Atom HA of residue 69
Atom HD22 of residue 69
P4834
P4833
P4830
P4828
P4826
P4824
P4823
P7813
P2318
P4822
P4821
P4818
P4817
P4816
P4815
P4813
P5915
P5274
P4809
P4806
P4802
P4801
P4800
P4799
P4796
P4795
P4793
P4791
P4789
P8464
P2286
P4788
P4787
P4785
P4779
P4776
P4775
P4773
P4772
P4771
P4770
P8445
P4768
P4706
P4705
P4704
P2209
P4703
P4702
P5799
P4700
P8381
P4701
P5800
P2
P8379
P5797
P4698
P4699
P5798
P8378
P5795
P4696
P5792
P4693
P4692
P5791
P2196
P5788
P4689
P4691
P5790
P5787
P4688
P4690
P5789
P5786
P4687
P5785
P4686
P5784
Atom HD23 of residue 69
P4685
P5783
P4684
P8363
P5780
P4681
P4679
P8362
P5778
P5775
P4676
P4678
P5777
P5774
P4675
P4672
P2180
P5770
P4671
P4670
Atom HZ1 of residue 29
P4669
P2177
P4668
P4667
P7656
P4666
P7655
P4665
P7654
P4664
P7651
P4661
P8344
P7650
P5759
P4660
P7647
P4657
P7646
P4656
P7645
P4655
P7644
P4654
P1966
P7643
P4653
P7642
P4652
P7641
P4651
P7638
P4648
P7634
P4644
P8326
P7631
P4641
P7630
P4640
P7624
P4634
P7620
P4630
P7618
P4628
P7616
P4626
P7603
P4613
Restraint 79
P4606
P4605
P4600
Atom CA of residue 1
P4599
Atom HA of residue 3
P4598
P4596
P4594
P4593
P4592
P8276
P4591
P4589
P4586
Restraint 78
P4585
P4584
P4583
P1786
P4582
P4580
P4579
P4578
P8264
P4577
P4575
P4574
P4571
P4570
P4569
P1772
P4567
P4566
P4564
P4563
P4559
P4556
P4555
P4553
P5654
P4552
P4550
P4548
P4546
P4545
P4543
P4542
P4541
P4540
P4539
Atom O of residue 16
P4536
P7977
P4532
P7521
P3825
P4531
P1735
P4528
P4527
P7969
P4524
P7968
P4523
P7967
P4522
P7965
P4520
P7962
P4517
P7960
P4515
P7958
P1721
P4513
P7957
P4512
P7956
P4511
P7955
P4510
P7954
P4509
P7953
P4508
P7951
P4506
P7950
Atom H of residue 15
P4505
P7948
P4503
P7947
P4502
P7946
P4501
P7945
P4500
P7942
P4497
P7944
P4499
P5598
P7941
P4496
P1707
P7943
P4498
P5597
P7940
P4495
P7939
P4494
P7937
P4492
P7936
P4491
Atom HA of residue 5
P7935
P4490
P7933
P4488
P7932
P4487
P7930
P4485
P7929
P4484
P1693
P4483
P4482
P4481
P4480
P4478
P4476
P4473
P4460
P1950
P4469
P1679
P4468
Atom CE2 of residue 4
P4467
P4466
P4464
P4462
P4461
P4458
P4456
P5554
P4455
P1665
P4453
P4452
P4454
P2454
P5553
P4451
P4450
P4449
P4448
P4446
P4445
P4443
P4441
Atom N of residue 3
P4439
P1651
P4438
P4437
P2438
P4436
P4435
P4434
P4433
P4432
P4431
P4430
Atom C of residue 2
P4427
Atom CA of residue 60
Atom HG2 of residue 2
P4426
P4425
P4424
P1637
P4423
P4420
P4418
P4417
P4416
P4415
P4413
P4414
P5513
P4411
P4410
P4409
P1623
P4408
P1327
P4406
P4405
P2409
P4404
P4403
P2406
P4401
P4398
P4397
P4395
P4394
P4392
P4391
P4389
P4386
P4385
P4383
P4382
P4381
P7370
P4379
P7825
P7369
P1595
P4378
P2385
P7367
P4376
P7366
P4375
P7365
P4374
P7364
P4373
P7363
P2380
P4372
P7361
P4370
P7359
P4368
P4360
P7350
P4359
P7349
P4358
P7348
P4357
P7344
P4817
P4353
P7343
P4816
P4352
P7342
P2361
P4815
P4351
P2155
P7114
P4119
P1349
P4113
P4112
P4111
P4110
P4109
P4108
P4107
P4106
P4105
P4104
P4102
P4101
P4100
P5211
P7100
P5208
P4097
P1343
P5210
P7099
P5207
P4096
P7097
P5205
P4094
P4095
P5206
P5203
P4092
P4091
P4093
P5204
P4090
P5198
P1333
P4087
P2131
P5197
P4086
P4088
P5199
P5196
P4085
P5194
P4083
P5193
P4082
P4084
P5195
P5192
P4081
P5190
P4079
P5189
P4078
Atom O of residue 2
P4080
P5191
P5188
P4077
P5187
P4076
P5186
P4075
P5184
P4073
P4074
P5185
P1804
P5182
P4071
P5181
P4070
P5179
P4068
P4067
P5178
P5175
P4064
P4066
P5177
LYS
P5174
P4063
P5171
bonded
P4060
P4061
P5172
P5169
P4058
P1790
P4056
P8252
P5167
P5164
P4053
P4055
P5166
P5163
P4052
P4054
P5165
P5162
P4051
P8245
P5160
P4049
Atom CD2 of residue 43
P5159
P4048
P5157
P4046
P5156
P4045
P5154
P4043
P4044
P5155
P1776
P1328
P5152
P4041
P4042
P5153
P5150
P4039
P4038
P4040
P5151
P4037
P4036
P4035
P4033
P4032
P4030
P4027
P1762
P4026
P4025
P4024
P4023
P4022
P4021
P4020
P4019
P4018
P4016
P4015
P4013
P1748
P4011
P4010
P4009
P4007
P4006
P4005
P4004
P3961
P3960
P3959
P3958
P3957
P3956
P3955
P3947
P3953
P3952
P3510
P4909
Atom N of residue 17
P1692
P3951
P3949
P3948
P3946
Atom O of residue 76
P1870
P3945
P3944
GLY
P3942
P3941
P3940
P3938
P3937
P3935
P3933
P3932
P3931
P6933
P1894
P3930
P3928
P3927
P3485
Atom HE22 of residue 2
Atom HD3 of residue 74
P3926
P3923
P3480
Atom O of residue 61
P1664
P3921
P1885
P3920
P3919
P3918
P3917
P3916
P6917
P3915
P7371
P3914
P3912
P3910
P3908
P3907
P1650
P3906
P3905
P3903
P3902
P3460
Atom HH22 of residue 74
P3901
P3900
P3899
P3898
P3895
P3893
P3890
P3887
P3886
P3885
P3884
Atom CE1 of residue 4
P3883
P3881
P3880
P3877
P1622
P3876
P3875
VAL
P3873
P3870
Atom NH2 of residue 72
P3868
PairsRestraint 8
P3866
P3865
P3862
P1608
P3861
P3860
P2122
P3853
Atom HD11 of residue 30
P3848
P3847
P3845
P3843
P3401
P1996
Atom CD1 of residue 71
P3842
P3839
P3838
Atom CD1 of residue 30
P3837
P3835
P1580
P3831
P3830
Atom HG12 of residue 70
P3829
P3828
P3827
P3826
Atom HB3 of residue 2
P3824
P3823
P3822
P3820
P3818
P1566
P3816
Atom HD23 of residue 69
P3815
P3814
P3813
P3809
P3798
P3797
Atom HH12 of residue 54
P3796
Atom HD2 of residue 54
P3792
P3791
P3788
P3787
Atom CB of residue 68
P4891
P3780
P4123
P1538
P3786
P3778
P4121
P3784
P3777
P4120
P3783
P3782
P4122
P3779
P3776
P3775
Atom HD22 of residue 67
P3773
P3772
P1524
P3771
Atom HD12 of residue 67
P3769
P3768
P3767
P3766
P3765
P3761
P3760
P3758
P3757
P3753
P3752
P3751
P3750
P3747
P3746
P1496
Atom O of residue 66
P3741
P3733
P4842
P4839
P3730
Atom C of residue 65
P4869
P3727
P3729
P4838
P1482
P4868
P3726
P3728
P4837
P6727
P3725
Atom N of residue 65
P6726
P3724
P6725
Atom HH22 of residue 74
P3723
P6724
P3722
P6721
P3719
P6718
P3716
P6717
P3715
Atom CG of residue 64
P6715
P3713
P6714
Atom HB2 of residue 74
P3712
P6713
P1468
P4821
P3711
P6710
P3708
P6706
P3704
P6705
P3703
P6704
P3702
P6703
Atom O of residue 74
P3701
P6702
P3700
P6700
ARG
P3698
P6699
P3697
P6696
P3694
Atom HD23 of residue 8
P6695
P3693
P6694
P3692
P6693
P3691
P6691
P3689
Atom CG of residue 63
P6690
P3688
P6688
P3686
P6685
P3683
P6683
P1440
P3681
P6682
P3680
P6681
P3679
P6680
P3678
P6679
P3677
P6678
P3676
Atom HA of residue 62
P6676
P3674
P6675
Atom HH21 of residue 72
P3673
P6674
P3672
P6672
P3670
P6670
P3668
P6669
P3667
P1426
P3666
P3665
P3664
P3663
Atom HA of residue 72
P3662
P3661
P62
P3659
P3658
P3655
P3653
P3652
Atom C of residue 72
P1412
P3651
P3650
P3649
Atom N of residue 72
P3648
P3647
P3644
P3643
P3642
P3641
P3640
P3638
P1398
P7094
P3636
P3635
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P3634
P3633
P3631
P3630
P3629
Atom CA of residue 71
P3628
P50
P3627
P3625
Atom HG21 of residue 70
P3623
P3619
P3617
P3616
P3615
P3614
P3613
Atom O of residue 70
P3612
P3611
VAL
P3609
P3608
P1366
P3604
Atom CD1 of residue 59
P3603
P3602
P3601
P3600
P3599
Atom HB2 of residue 69
P3598
P0
P3597
P3596
P3594
P3592
P3591
P1352
Atom OD1 of residue 58
P3589
P3588
P3587
P3586
P3585
P3582
P3581
P3579
P3578
Atom HD11 of residue 71
P3577
P3576
P3574
P3571
P3570
P3568
Atom O of residue 71
P3566
P3565
P3564
Atom HD12 of residue 56
LEU
P3563
P3562
P3561
P3559
P3558
P3557
P3554
P3553
Atom CB of residue 56
P3552
P3551
P3549
P3548
P3547
P3546
P3543
P3542
P3541
P3540
P8240
Atom HD12 of residue 69
P3538
P3536
P3535
P3534
P3531
P3529
Atom CB of residue 69
P3527
P3508
Atom N of residue 16
P3526
P3525
P3524
P3523
P3522
P3520
P3519
P3518
P3517
P3514
P3512
Atom CD of residue 54
P3511
P3509
P3507
P3506
Atom CA of residue 68
P3504
Atom N of residue 10
P3503
P3501
P3499
P3498
P3497
P3495
P3494
P3493
Atom HA of residue 52
P3492
P3489
P1945
P3487
P3486
P3484
P3482
P3481
P3480
P3479
P3478
P3476
P3475
P3473
Restraint 174
P3472
P3471
Atom CB of residue 51
P3469
P3468
P3467
P3466
P3465
P3464
Atom HD22 of residue 50
P3462
P3461
P3460
P3459
P3458
P6915
P3457
Atom CG2 of residue 17
P6914
Restraint 107
P3456
P6912
P3454
P6909
P3451
P6908
P3450
P6907
P3449
P6906
P3448
P6905
P3447
P6903
P186
P3445
P6902
P3444
P6901
P3443
P6900
P3442
P4553
P6899
P3441
P6897
P3439
P183
P6895
P4549
P3437
P6894
P3436
P3438
P6896
P0
P4550
P6893
P3435
P3434
P3433
Atom HZ2 of residue 63
Atom NE2 of residue 49
P6434
P3432
P3431
P3430
P3429
P6430
P3426
P6428
P3424
P6427
Restraint 106
P3423
Atom HA of residue 63
P3421
P3420
P3419
P3418
P3416
P3410
P3408
Atom HG22 of residue 61
Atom NZ of residue 48
P3407
P3405
P3403
P3401
P3400
P3399
Atom OE1 of residue 62
P3398
P3396
P3395
P3394
Atom O of residue 47
P3393
GLY
P3390
P3389
Atom HB3 of residue 46
P3388
P168
P3387
Atom HD11 of residue 61
P3386
P3385
Atom HD12 of residue 67
P3384
P3382
P0
P3380
P3379
P3378
Atom HZ of residue 45
P3376
P3374
P3371
P3370
P3368
Atom C of residue 61
P3366
P3365
P3364
P3362
P3361
P3360
P3359
P3357
Atom CA of residue 45
P3356
P3355
P3351
P3350
P3349
P155
P3348
P3347
ListSingletonContainer311
P3346
P3345
P3343
P3341
P3340
P3339
P3337
P3336
P3334
P3332
P3328
P3326
P3325
TYR
P3324
P3323
P3322
P3321
Atom HD22 of residue 71
P3320
P3318
P3314
Atom HB3 of residue 71
Atom O of residue 58
P3313
P3312
Atom HA of residue 71
P3311
ASP
P3310
P3309
P3308
P3306
P3304
P3303
P3301
P3300
Atom C of residue 57
P3299
P3298
P3297
P3295
P3294
P3292
P3288
P3278
P3274
P3273
Atom CD of residue 41
P3272
Atom HG21 of residue 55
P3271
Atom HB of residue 55
P3269
P3268
P3266
P3265
P3264
P3261
P3255
P6254
P3250
P8086
P6251
P3247
ListSingletonContainer295
P6250
GLN
Atom HB2 of residue 54
P3246
P6247
P3243
P6244
P3240
P6241
P3237
P6239
Atom O of residue 39
Atom O of residue 54
P3235
P6238
P3234
P6236
ASP
ARG
P3232
Atom C of residue 43
P6235
P1328
P3231
P6233
P3229
P6232
P3228
Atom O of residue 53
P6229
P3225
GLY
P6226
P3222
P6220
P3216
P6218
P3214
P6217
P3213
Atom O of residue 52
P6215
P3211
P6214
P3210
ASP
P6212
P3208
P6667
P6211
P3207
P6209
P3205
P6208
P3204
UnaryFunction3
P6206
P3202
P6205
P3201
P6197
Atom CA of residue 51
P3193
P6196
P3192
P105
P6195
P3191
P6194
P3190
P104
P6192
P3188
P8025
P6190
P3186
Atom HD11 of residue 50
P6187
P3183
P102
Atom N of residue 41
P6186
Atom CB of residue 36
P3182
P6185
P3181
P6184
P3180
P101
P6183
Atom H of residue 50
P3179
P6182
P3178
P6181
P3177
P100
P6180
P3176
P3175
P3174
P3172
P3170
ListSingletonContainer294
P3169
P3168
Atom HE21 of residue 49
P3167
P6623
P3165
P96
P3164
Atom HA of residue 34
P3163
P95
P3161
Atom CG of residue 49
P3156
P3153
P3151
P3150
P91
P3149
P3147
P3144
P3143
ListSingletonContainer233
P3139
P3136
P3135
P3134
P3133
P3132
Atom CG of residue 48
P3131
P3129
P198
P3128
P3126
ListSingletonContainer354
P3125
Atom HB2 of residue 32
P3124
P3119
P3118
P3117
P3116
P3115
Atom HB2 of residue 46
P3114
Atom CD2 of residue 15
P3112
P3109
P3108
P38
P3107
P3100
P3099
P3097
P3093
P8549
P3092
P3091
P3090
Atom HD11 of residue 30
Atom CD1 of residue 45
P3089
P3088
P3082
P3081
P3080
P3079
Atom HG23 of residue 44
P3077
P3075
P3074
P8482
P3022
P13
P3021
P8481
P3020
P3018
Atom HA of residue 23
P3017
P19
P3008
P3005
P3003
P3001
P3000
P2997
P2932
P4033
P2931
P4032
P8393
P4029
P2928
P4026
P2925
P2927
P4028
P4025
P2924
P2923
P4024
P4021
P2920
P2922
P4023
P4020
P2919
P8387
P2921
P4022
Atom CA of residue 9
P4019
P2918
P9
P4018
P2917
P4016
P2915
P150
P4015
P2914
P8378
P4012
P2911
ListSingletonContainer207
P8379
P2913
P4014
P4011
P2910
P2912
P4013
P4010
Atom CG of residue 21
P2909
P4009
P2908
P4008
P2907
P4006
P2905
P8373
P2906
P7746
Atom CA of residue 36
P4007
P7740
P4004
P2903
P2904
P4005
P4002
P2901
P4001
P2900
P3999
P2898
P3998
P2897
P2899
P4000
P3997
P2896
Atom CB of residue 20
P3996
P2895
P3995
P2894
P3993
P2892
P3992
P2891
P2893
P3994
P3991
P2890
P3990
P2889
Atom OE1 of residue 34
P3988
P2887
P2888
P3989
P3986
P2885
P3985
P2884
P2886
P59
P3987
P3984
P2883
P3982
P2881
P3981
P2880
P2882
P3983
P3980
P2879
P3978
P2877
P2878
P3979
P3976
P2875
P8342
P3975
P2874
P8341
P3973
P2872
P2870
P3971
P3968
P2867
P2869
P3970
P3967
P2866
P3965
P2864
P2862
Atom CE of residue 33
P3963
P3960
P2859
P2861
P3962
Atom HA of residue 6
P3959
P2858
P2860
Atom HB3 of residue 6
P3961
P3958
P2857
P8324
P3956
P2855
P2856
P3957
P8323
P3954
P2853
P3953
P2852
P2854
P3955
P3952
P2851
P3951
P2850
P3950
P2849
P3949
Atom OD2 of residue 32
P2848
P8317
P3948
P2847
P3947
P2846
Atom N of residue 6
P3945
P2844
P3944
P2843
Atom CA of residue 17
P3941
P2840
P2841
P3942
P1342
P3939
P2838
P3938
P2837
P2839
P3940
Atom HG3 of residue 31
P3937
P2836
Atom HB3 of residue 16
P3936
P2835
ListSingletonContainer272
P3933
P2832
P2833
P3934
P94
P3931
P2830
P3928
P2827
P2828
P3929
P3926
Atom CB of residue 31
P2825
P2826
P3927
P3924
P2823
Atom C of residue 16
P2824
P3925
Atom N of residue 16
P3922
P2821
P89
P3921
P2820
Atom HD12 of residue 30
P3919
P2818
P3918
P2817
P2819
P3920
P3917
P2816
P3916
P2815
P3915
P2814
P2813
P3914
P8280
P3911
P2810
P2812
P3913
P3910
P2809
P3907
P2806
P2807
P3908
P3905
P2804
P2805
P3906
P3903
P2802
P2803
P3904
P3901
P2800
P2801
Atom C of residue 15
P3902
P3899
P2798
P5798
P3896
P2795
P2794
P5797
P3895
P5794
P3892
P2791
P5795
P2792
P3893
P5792
P3890
P2789
P5791
P3889
P2788
P5793
P2790
Atom CD of residue 42
P3891
Atom CB of residue 14
P5790
P3888
P2787
P5789
P3887
P2786
P5788
P3886
P2785
P5787
P3885
P2784
P5786
P8255
P3884
P2783
P3883
P5785
P2782
P3882
P5784
Atom OD1 of residue 25
P2781
Atom HD12 of residue 13
P5783
P2780
P3881
P5780
P3878
P2777
Atom HG22 of residue 13
P5779
P3877
P2776
P5777
P3875
P2774
Atom HG12 of residue 13
P3874
P2773
P3868
P2767
P6224
P2765
Atom H of residue 28
P3866
P3863
P2762
P2541
P6223
P2764
P3865
P3862
P2538
P8
P2761
P2759
P3860
P3857
P2756
P2755
P3856
P3853
P42
P2752
P2754
P3855
Atom HD2 of residue 27
P3852
P2751
Atom HG2 of residue 11
P3849
P2748
P3846
P2745
P2747
P3848
P3845
P2744
P3842
P2741
P2522
P2743
P3844
Atom CG of residue 27
P3841
P2740
P3839
P2738
Atom O of residue 11
P3838
P2737
P3836
P2735
LYS
P3835
P2734
P2736
P3837
P3834
P2733
Atom HG21 of residue 22
P3832
P2731
P3829
P2728
P2729
Atom HB of residue 22
P2509
P3830
P3827
P2726
P2727
P3828
Atom H of residue 26
P190
P3825
P2724
P3824
P2723
Atom CA of residue 9
P3822
P2721
P6179
P3821
P2720
P3818
P2717
P2719
P3820
P188
P3817
P2716
Atom H of residue 21
ListSingletonContainer125
P3815
P2714
P3814
P2713
P2715
P3816
P3813
P2712
P3811
P7548
P2710
Atom HB2 of residue 8
P3810
P7547
P2709
P2493
P2711
P7549
P3812
P7546
P2490
P3809
P2708
P2705
P7543
P3806
P7540
P3803
P2702
P2704
P7542
P3805
P7539
P3802
P2701
P2699
P7537
P3800
P7534
P3797
P2696
P7536
P2698
P3799
P7533
P3796
P2695
P7535
P2697
P3798
Atom HA of residue 24
P7532
P3795
P2694
P7531
P3794
P2693
P3793
P7530
P2692
P7529
P3792
P2691
P7528
P3791
P2690
P7525
P3788
P2687
P2688
P7526
P3789
Atom HG1 of residue 12
P7523
P3786
P2685
P7524
P2686
P3787
P7521
P3784
P2683
P3783
P7520
P2682
P3781
P7518
P2680
P2681
P7519
P3782
P7516
P3779
P2678
P2464
P2679
P7517
P3780
P2461
P7514
P3777
P2676
P3776
P7513
P2675
P3774
P7511
P2673
P2665
P7503
P3766
P3763
P7500
Atom CZ of residue 42
P2662
P2664
P7502
P3765
P3762
P2661
P2663
P7501
P3764
Atom N of residue 23
P3761
P2660
P2445
P7496
P3759
P2658
P7495
P3758
P2657
P2659
P3760
Atom HG22 of residue 17
P7494
Atom HD2 of residue 11
P3757
P2656
P7493
P3756
P2655
P7492
P3755
P2654
P7490
P3753
P2652
P3752
P7489
P5654
P2651
P2653
P7491
P3754
P7488
P3751
P2650
P5650
P3748
P7485
P2647
P2649
P5652
P7487
P3750
P7484
P3747
P2646
P2648
P7486
P3749
P7483
P3746
Atom CB of residue 17
P2645
Atom HE2 of residue 4
P3744
P7481
P2643
P2432
P2644
P7482
P3745
P7479
P3742
P2641
P7476
P3739
P2638
ListSingletonContainer246
P2640
P7478
P3741
P7475
ListSingletonContainer112
P3738
P2637
P2639
P7477
P3740
P7474
P3737
P2636
P2631
P7469
P3732
P7466
P3729
P2628
P7463
P3726
P2625
P2627
P7465
Atom HB2 of residue 20
P3728
P3725
P2624
P2416
P2626
P7464
P3727
P2413
P3724
P2623
P3723
P2622
P3722
P2621
P3721
P2620
P3719
P2618
Atom HD12 of residue 15
ListSingletonContainer266
P3718
P2617
P3716
P2615
P5615
P3079
P2613
P2612
P2611
P3075
P2607
P5609
Atom O of residue 6
P2602
P2601
P2600
P2599
P2598
P3063
P2597
P2596
P2595
P2593
P2577
P2575
P2574
P2571
P2570
P2569
P2568
P2567
P2566
P2565
P2563
P2562
P2561
P2559
P2354
P2558
P2556
P7394
P2555
P2551
P5554
P2550
P6008
P2549
P6007
P2548
P2547
P6005
P18
P2546
P1598
P6914
P2545
P2538
P2534
P2533
P9515
P2532
P2531
P2530
P9512
P2529
P5061
P2528
P2
P6893
P2526
P2525
P3156
P6889
P2522
P2521
P2518
P2517
P2515
P2514
P5046
P2513
P1564
P2512
P3138
P3135
P2508
P6871
P2506
P1554
P2502
P9480
P2500
P2495
P2493
P2492
P2490
P2489
P2488
P2487
P2485
P2483
P2480
P5460
P6839
P2477
P2474
P2473
P2468
P2466
P2465
P2464
P2463
P2459
P2458
P2457
P2455
P2452
P4976
P2451
P5429
P2449
P6807
P8558
P2448
P6804
P2445
P2444
P2442
P2441
P2440
P8549
P2439
P8545
P1486
P2436
P9408
P2435
P2434
P6786
P5407
P2429
P2425
P2422
P2419
P2418
P2417
P2416
P9386
P2415
P1462
P2413
P9383
P2412
P2409
P2407
P1452
P2403
P4925
P8513
P3021
P4922
P3018
P2402
P5372
P6751
P2397
P2394
P2393
P2391
P2390
P2389
P2388
P2386
P2384
P2381
P5353
P1428
P2380
P9343
P4893
P2376
P9340
P2373
P2369
P2368
P2367
P2366
P2365
P2364
P6711
P2361
P2360
P2359
P8451
P4875
P2358
P4872
P2355
P2350
P1394
P2347
P5316
P2346
P2345
P2344
P8434
P2342
P2001
P2340
P1384
P2337
P2336
P4846
P2335
P4844
P2333
P5298
P2330
P8419
P2328
P2323
P2321
P9282
P8411
P2320
P1363
P2319
Atom CE of residue 1
P2318
P9277
P2316
P2315
P2314
P2311
P8394
P2304
P6647
P2303
P5266
P2301
P6644
P2300
P2299
P9256
P2297
P2901
P1339
P4803
P2291
P2288
P6626
P2284
P2283
P2281
P2280
P8366
P2278
P2271
P2269
P9224
P2268
P2267
P9221
P2265
P2262
P2260
P2257
P2254
P2253
P2249
P8361
P2851
P2848
P2248
P2241
P6576
P4742
P2237
P8345
P2236
P6572
P2235
P4739
P2234
P6569
P2232
P1
P8340
P5189
P2231
P9184
P2830
Atom HB of residue 9
P2220
P4721
P2218
P9170
P2816
P2215
P2212
P4711
P2210
P8317
P2209
P4707
P2205
P6537
P2203
P2798
P2795
P2200
P2196
P2195
P2193
P2192
P2190
P4689
P2189
P2188
P4686
P8291
P2186
P2183
P5135
P2182
P2180
P2177
P2176
Atom HE2 of residue 45
P2172
P2766
P1
P2763
P2171
P2167
P9112
P8270
P2166
P4654
P8261
P2157
P2156
P2155
P2153
P8255
P2151
P2144
P4636
P2141
P2140
P2731
P2137
Atom H of residue 16
P4629
P2136
P2134
P2132
P2131
P4622
P2128
P2127
P3160
P6857
P2125
P2124
P3859
P6853
P3156
P2118
P2117
P3855
P3849
P2116
P2115
P7302
P2112
P2108
P2107
P2106
P6838
P3141
P2104
P2103
P3840
P3834
P2102
P2101
P2099
P2098
P2093
P6822
P2089
Atom CB of residue 11
P3825
P3819
P2088
P2087
P2085
P2084
Atom HD21 of residue 69
P2082
Atom HD12 of residue 69
P2080
P2079
P2078
Atom HB3 of residue 69
P2077
P3111
JeffreysRestraint_P0
P2076
P6807
P2075
P2073
P2071
P2070
P2068
P2066
P2065
P2064
P2063
P3096
P2062
P6792
P2061
P3795
P3789
P2060
P7238
P2052
P2049
P7228
P2048
P2047
P4881
P7213
P2034
P2033
P2032
P2031
P3056
P2030
P2025
P2024
P2022
P7198
P2020
P2018
P3041
P2016
P6746
P4853
P6737
P2015
P2010
P2008
P2005
P12452
Atom O of residue 21
P1999
P3995
P6625
P1995
P1391
P1993
P1991
Atom HG13 of residue 36
P1988
Atom HG12 of residue 36
P1987
P5683
Atom O of residue 67
Model 361
P1984
Atom C of residue 67
P1983
P1982
P1981
P1977
P1976
P1971
P5025
P8015
P1970
P1969
P1968
P1967
P7648
P4658
Atom N of residue 40
P1961
Atom O of residue 9
P1943
P1941
Atom HZ of residue 45
P1938
P7669
P1934
P3222
P1933
P1930
P1928
P1927
P1924
P1920
P7700
P3207
P1919
P1916
P3645
P1915
P1913
P7641
P1906
P1904
P1902
P3177
P3615
P1887
P7616
P1882
P1881
P4996
P1878
P3162
P1877
P1876
P3600
P1873
P1872
P7579
Atom HA of residue 7
P7613
Atom HG3 of residue 42
P7601
P1868
Atom HG2 of residue 42
P1867
P4981
P1864
P1862
P1860
P3585
P1859
P1858
P7598
Atom CA of residue 43
P7586
P1854
P1853
P7095
Atom CA of residue 7
Atom CB of residue 41
P4966
P1850
P4629
Atom HD2 of residue 6
P3570
P1845
P1844
P7571
P1840
P1839
P1837
P3117
GLN
P1835
P5070
P1834
P2712
P2709
P1833
P1827
P2535
P1824
P5057
P1822
P2699
P1820
GLY
P4600
P1819
P2525
P1814
P1813
P1810
P5042
Atom OE1 of residue 16
P1808
P2684
P4585
P1805
P1804
P8027
P1802
P1800
P9027
P6411
Atom N of residue 3
P1799
P4576
P1798
P2669
Atom HA3 of residue 10
P2666
P1793
P4570
P1791
P2502
ILE
P1790
P9016
P2501
Atom N of residue 23
P1789
P1786
P6396
P1785
P1783
P4558
P1781
P4557
P2492
P5012
P1780
P1777
P1776
P9001
P1775
P2645
P4550
P1772
P6381
P1771
P1770
P1769
P2907
P5426
P2018
P1767
P2906
P2017
P4997
P1766
P2904
P2015
P2902
P2013
P1762
P11242
P2901
P2012
P2898
P2009
P1758
P2897
P2008
P1757
P2895
P2006
P2468
P1755
P2894
P2005
P1754
P7975
P4529
P2892
P5410
P2003
P4982
P1752
P2889
P2000
P1749
P8971
P1747
P1743
P6352
P2613
P2608
P6349
P1741
P1740
P1739
P1736
P8956
P1733
P1729
P1728
P1723
P2435
P1721
P1720
P1714
P6322
P2581
Atom C of residue 118
P1713
P2426
P1712
P4097
P2612
P1709
P1707
P1705
P1702
P1700
P6304
P1699
P1698
P2565
Atom CA of residue 116
P1697
P2563
P4469
P4922
P1696
P1693
Atom CA of residue 19
P2403
P1688
Atom CG of residue 74
P1686
P6292
P2553
Atom CB of residue 74
P6289
P1685
Atom O of residue 74
P1684
P1679
P1672
P6274
P1671
P1670
P1669
P4439
P1668
P1667
P1663
P8877
P1659
P1656
P1655
P4424
P2370
P1654
P2369
P6255
P4876
P1653
P1651
P1646
P8862
P1645
P1642
P1641
P4409
P1640
P1639
P1637
Atom N of residue 37
P1634
P1632
P8847
P1631
P6229
P1629
SER
P4394
P1626
P1625
P1623
P11100
Atom C of residue 71
P8832
P1617
P1615
P4379
P4831
P7824
P1612
P1611
P1609
P4370
P1605
P8817
P1603
P1601
P6198
P1600
P1599
P1597
P1595
P1594
Atom HA of residue 69
P1587
P2304
P6183
P1586
P2303
P1585
P4803
P4349
P1584
Atom CG of residue 25
P1581
P1579
P4340
P1577
P2294
P1576
P1573
P1572
P6167
P1571
Atom C of residue 97
P4334
P1570
P1569
P1566
P1565
P4325
P1563
P8201
P1562
P1558
P6152
P1557
P1555
P2271
P1552
P2270
P1551
P4310
P1549
P1548
P1544
P1541
P8539
P1539
P7743
P1537
P4289
P1528
P1527
P1525
P1523
P1520
P2238
P1518
P1516
P4274
P1514
P1513
P8336
Atom N of residue 65
P1511
Atom HG2 of residue 64
P1509
Atom HB2 of residue 64
P8137
P1502
P8500
P4259
P1500
P1499
P1497
P1495
P4250
P1493
P1492
P8697
P4703
P1491
P1489
P2208
P4244
P1486
P1485
P2204
P1483
P1482
P1480
P8682
P4688
P1477
P4229
P6061
P1472
P1471
P1468
P8465
P1466
P1464
P8667
P4673
P1463
P1462
P1461
P7660
P1459
P1457
P1455
P1453
P4205
P1451
Atom HG23 of residue 61
P8448
P2171
P4658
P1449
Atom HG21 of residue 61
P1447
Atom CD1 of residue 61
P1441
P2162
P1440
P1438
P4643
P1435
P1434
P8635
P1433
P6015
P1429
P1427
P1426
P1425
P1424
P4175
P1423
P4628
P1421
P1420
P6000
P2138
P1415
P1413
P1412
P1411
P4613
P1407
P1406
P1405
P8401
P1403
P5985
P1401
P1399
P7595
P1398
P1397
P1396
P4145
P1395
P1392
P1391
Atom HD13 of residue 61
P8016
P1389
P10854
Atom H of residue 58
P1387
P1384
Atom OD2 of residue 87
P1383
Atom C of residue 87
PairPredicate 10
P1378
P1377
P1754
P1375
P1373
P2479
P7999
P1369
P1366
P1365
P1364
P1363
Atom OG of residue 85
P1362
Atom C of residue 85
P1359
Atom HB3 of residue 56
Atom H of residue 60
P7984
P8556
P0
P1357
P1353
P1352
P1351
P1349
P4087
P1348
P10812
P2456
P7973
P1347
P12446
P1342
P5922
P1341
P1340
P1339
P1338
P1337
P1748
P4073
P1336
ALA
P4145
P4136
P1330
P1329
P6506
Atom O of residue 29
P6050
P1328
P2924
P1326
P1323
P6111
P1322
P3415
P3409
P1318
P1316
P1312
P4568
P1308
Atom CD of residue 48
P7760
P6259
P1657
P4839
P3630
P1901
Atom HA3 of residue 76
Atom CD1 of residue 56
Atom HA2 of residue 76
Atom H of residue 76
P3390
P5236
Atom O of residue 76
P12479
P8436
Atom CA of residue 76
Atom ND2 of residue 25
P5711
P12478
GLY
P7544
P2706
P3807
P3804
P7541
P2703
Atom HA2 of residue 75
P12474
P8431
Atom H of residue 75
P7142
Atom O of residue 75
P7139
P6618
GLY
Atom HH22 of residue 74
P7186
Atom HH11 of residue 74
Atom HE of residue 74
Atom HD3 of residue 74
Atom HG2 of residue 74
P6004
Atom HB2 of residue 74
P6780
LEU
Atom NE of residue 74
P2046
Atom CG of residue 74
P2045
Atom CB of residue 74
P3071
P2044
P4342
Atom O of residue 74
P2751
ARG
P7168
Atom N of residue 74
Atom CB of residue 20
Atom HD21 of residue 73
Atom HG of residue 73
P2740
Atom HB2 of residue 73
P6699
Atom H of residue 73
Atom CD2 of residue 73
Atom CG of residue 73
P7787
P4223
Atom CB of residue 73
Atom C of residue 73
P8496
Atom CA of residue 73
Atom C of residue 19
Atom N of residue 73
P2726
Atom HG23 of residue 5
Atom HH21 of residue 72
Atom HH12 of residue 72
Atom CG of residue 59
Atom HG3 of residue 72
Atom HD11 of residue 69
P7059
P4713
P1354
P2896
Atom CD of residue 72
P6592
Atom CG of residue 72
Atom HE1 of residue 68
ARG
P7047
JeffreysRestraint_P0
P4701
Atom HD12 of residue 71
P3583
Atom OG of residue 57
Atom HB3 of residue 71
Atom CB of residue 57
Atom HB2 of residue 71
P1338
Atom HA of residue 71
P6580
Atom CA of residue 57
Atom CD2 of residue 71
Atom CD1 of residue 71
P2873
Atom CG of residue 71
ModelScoringFunction8
Atom CB of residue 71
P3572
P3569
Atom HG of residue 56
Atom HG23 of residue 70
Atom HG22 of residue 70
P2857
Atom H of residue 70
Atom C of residue 56
Atom CG1 of residue 70
Atom CB of residue 70
Atom HD22 of residue 69
Atom O of residue 55
Atom HB3 of residue 69
Atom C of residue 55
Atom HB2 of residue 69
P8235
Atom HA of residue 69
P6541
Atom H of residue 69
Atom CG of residue 69
P3533
Atom C of residue 69
P6980
P2827
Atom N of residue 69
P6529
Atom HD2 of residue 68
Atom CZ of residue 54
P6971
P2818
Atom NE2 of residue 68
Atom CE1 of residue 68
Atom CD2 of residue 68
P6518
Atom CG of residue 68
Atom CB of residue 68
P3510
Atom HD22 of residue 67
Atom HD21 of residue 67
Atom HD12 of residue 67
P6504
Atom HG of residue 67
Atom HB3 of residue 67
Atom HA of residue 67
P3496
P3490
Atom H of residue 67
Atom CD2 of residue 67
P6490
Atom CD1 of residue 67
P6489
Atom HG23 of residue 66
P2781
Atom HG1 of residue 66
Atom H of residue 66
Atom CG2 of residue 66
P6934
P6478
Atom O of residue 66
ListSingletonContainer330
Atom CB of residue 4
P6924
Atom CA of residue 66
P6917
Atom H of residue 65
P2758
Atom CA of residue 65
P6450
P2753
Atom HB3 of residue 64
Atom HB2 of residue 64
Atom C of residue 50
Atom H of residue 64
Atom OE2 of residue 64
Atom CG of residue 64
Atom CA of residue 64
P6439
P6431
Atom HE2 of residue 63
Atom HB2 of residue 63
P3427
P6421
Atom NZ of residue 63
Atom CG of residue 63
P6869
Atom OE1 of residue 2
Atom CA of residue 63
Atom HE22 of residue 62
Atom CG of residue 68
Atom NE2 of residue 62
P3404
P6398
Atom CG of residue 62
P4512
P4503
GLN
Atom HG22 of residue 61
Atom HG21 of residue 61
P6384
Atom HG13 of residue 61
Atom HD23 of residue 67
P4501
P4492
Atom HB of residue 61
Atom O of residue 61
P3372
Atom CA of residue 61
P8201
ILE
P3369
P3363
Atom N of residue 61
Atom HD22 of residue 60
P8198
P6819
Atom HD21 of residue 60
Atom HA of residue 60
Atom H of residue 60
Atom CG of residue 60
P3358
P3352
Atom CB of residue 60
Atom O of residue 60
P8187
P6808
Atom C of residue 60
ASN
P8184
P6805
Atom N of residue 60
P2645
Atom HB3 of residue 59
P4459
P6349
Atom HB2 of residue 59
Atom H of residue 59
P8173
P6794
Atom OH of residue 59
Atom CZ of residue 59
P2634
Atom CG of residue 59
P3333
P3327
Atom O of residue 59
Atom CA of residue 59
P3330
ARG
Atom N of residue 59
P8159
P6780
Atom N of residue 72
Atom HB3 of residue 58
Atom HD23 of residue 71
Atom HB2 of residue 58
P6778
P8157
Atom HA of residue 58
Atom HG of residue 71
Atom CB of residue 58
P3319
Atom CA of residue 58
P4427
Atom O of residue 57
P3305
P8135
Atom CA of residue 57
SER
P8139
P3302
P3296
Atom N of residue 57
Atom HB2 of residue 56
Atom HA of residue 56
Atom CD1 of residue 56
P2583
Atom CG of residue 56
Atom HG23 of residue 55
P4392
P6282
Atom HG22 of residue 55
P3277
Atom HA of residue 55
Atom HE21 of residue 40
Atom O of residue 55
P4381
P6271
Atom C of residue 55
P2563
Atom CA of residue 55
THR
P4378
P6268
Atom N of residue 55
Atom HE22 of residue 40
P3263
P3257
Atom HH22 of residue 54
P8091
P6712
Atom HH11 of residue 54
P2557
P6255
Atom HE of residue 54
Atom HD3 of residue 54
Atom HG2 of residue 54
P4367
P6257
Atom HB3 of residue 54
P3252
Atom H of residue 54
Atom HB2 of residue 39
P6701
P8080
Atom NH2 of residue 54
Atom HA of residue 39
Atom NH1 of residue 54
Atom NE of residue 54
Atom OD1 of residue 39
Atom CD of residue 54
Atom CB of residue 39
Atom CB of residue 54
P6245
P3241
Atom CA of residue 39
Atom CA of residue 54
P2546
P3
P6242
Atom CD2 of residue 43
P3238
Atom HA2 of residue 53
P4349
Atom N of residue 53
Atom HB3 of residue 52
Atom HA of residue 52
Atom C of residue 52
Atom HG3 of residue 51
PRO
P6658
Atom OE1 of residue 51
Atom N of residue 37
Atom CD of residue 51
Atom CG of residue 51
Atom CB of residue 51
P6203
P3199
Atom HD22 of residue 50
P6646
Atom HD21 of residue 50
Atom HB3 of residue 50
Atom HA of residue 50
P103
P8024
P6189
Atom CA of residue 41
P3185
ILE
Atom CD2 of residue 50
Atom N of residue 36
Atom CD1 of residue 50
P4296
P6628
Atom N of residue 50
P3173
Atom HG2 of residue 49
Atom HB2 of residue 49
P6619
Atom H of residue 49
Atom NE2 of residue 49
P6621
P6165
Atom CB of residue 49
Atom O of residue 49
P7990
Atom C of residue 49
GLN
Atom HZ2 of residue 48
P4268
P4259
Atom HZ1 of residue 48
Atom CB of residue 17
P3148
P3142
Atom HD2 of residue 48
P6151
Atom HG3 of residue 48
P7976
Atom HB3 of residue 48
Atom NZ of residue 48
P3137
P6140
Atom CB of residue 48
Atom O of residue 48
P7965
Atom C of residue 48
LYS
P7962
Atom N of residue 48
P6124
Atom H of residue 47
Atom O of residue 47
Atom HB3 of residue 46
P6123
Atom HB1 of residue 46
Atom CB of residue 42
Atom HA of residue 46
P4231
Atom HD2 of residue 45
P7936
Atom HD1 of residue 45
P6556
Atom HB3 of residue 45
Atom CE1 of residue 45
Atom H of residue 14
P3095
Atom CG of residue 45
P6545
P7924
P8544
Atom CB of residue 45
GLN
P4206
P4197
ListSingletonContainer301
Atom C of residue 45
Atom CA of residue 45
Atom HD11 of residue 13
P3083
P6086
Atom HG22 of residue 44
P7908
P6529
ListSingletonContainer463
Atom HA of residue 44
Atom O of residue 30
P6075
Atom CB of residue 44
Atom HE3 of residue 29
Atom O of residue 44
Atom C of residue 44
ILE
Atom N of residue 44
P6517
P7896
Atom HD23 of residue 43
Atom HD12 of residue 43
Atom HD11 of residue 43
Atom HB2 of residue 43
P6059
P8508
Atom HA of residue 43
Atom O of residue 43
Atom N of residue 43
Atom HH21 of residue 42
P6499
P6043
Atom HH11 of residue 42
Atom HE of residue 42
P6031
Atom HG3 of residue 42
Atom HA of residue 42
Atom H of residue 42
Atom NH1 of residue 42
P2671
P7509
P3772
P7506
P3769
P2668
P2799
P3900
P5799
P3897
P2796
P6022
Atom N of residue 42
P6015
Atom HB2 of residue 41
Atom HA of residue 41
P6013
Atom NE2 of residue 41
Atom CG of residue 41
P3002
Atom HA of residue 42
P2996
P4097
Atom O of residue 41
Atom HE21 of residue 40
Atom HA of residue 40
Atom H of residue 40
P5992
Atom NE2 of residue 40
P5979
P6435
Atom O of residue 40
Atom HB2 of residue 39
Atom OG of residue 20
Atom HA of residue 39
P7802
P6423
Atom CG of residue 39
Atom CB of residue 39
Atom CA of residue 39
ASP
Atom HD3 of residue 38
Atom HD2 of residue 38
Atom HG3 of residue 38
P57
P8414
Atom CD of residue 38
Atom CG of residue 38
Atom O of residue 38
Atom C of residue 38
Atom CA of residue 38
PRO
P131
Atom N of residue 38
Atom HB3 of residue 37
Atom HB2 of residue 37
Atom CB of residue 37
P3401
P5938
Atom CA of residue 37
Atom HA of residue 9
PRO
Atom HD12 of residue 36
Atom HG2 of residue 42
P6381
Atom HD11 of residue 36
P5921
Atom HG13 of residue 36
Atom HB of residue 36
P5923
Atom CD1 of residue 36
P6369
P7748
Atom CG1 of residue 36
P5907
ListSingletonContainer192
Atom N of residue 36
Atom HA3 of residue 35
Atom HA2 of residue 35
Atom CA of residue 35
P5906
Atom N of residue 35
Atom HB2 of residue 34
Atom H of residue 34
Atom C of residue 34
Atom CG2 of residue 7
GLU
Atom N of residue 34
Atom HE2 of residue 33
Atom HG2 of residue 33
Atom HB3 of residue 33
Atom HB2 of residue 33
Atom H of residue 33
Atom NZ of residue 33
P103
P7699
Atom CD of residue 33
GLU
Atom O of residue 33
Atom C of residue 33
Atom HB3 of residue 32
Atom HA of residue 32
P5852
Atom H of residue 32
P56
Atom OD1 of residue 32
Atom CG of residue 32
Atom C of residue 32
Atom N of residue 32
Atom HG2 of residue 31
Atom HB2 of residue 31
Atom HA of residue 31
ListSingletonContainer179
Atom NE2 of residue 31
Atom O of residue 31
GLN
Atom HD13 of residue 30
Atom HD11 of residue 30
P7652
Atom HG23 of residue 30
Atom HG of residue 15
Atom HG22 of residue 30
P7642
Atom CD1 of residue 30
Atom HE2 of residue 29
Atom HD3 of residue 29
Atom HD2 of residue 29
Atom HG2 of residue 29
Atom HB2 of residue 29
P7617
Atom CE of residue 29
Atom CD of residue 29
P8248
Atom O of residue 29
LYS
Atom HB3 of residue 28
P5767
Atom CB of residue 28
ALA
Atom HZ3 of residue 27
P7590
Atom HD3 of residue 27
Atom HG3 of residue 11
P2527
Atom HG2 of residue 27
Atom HB3 of residue 11
Atom HB2 of residue 27
Atom H of residue 27
P2749
P3850
P3847
P2746
Atom O of residue 27
Atom C of residue 11
ListSingletonContainer253
P5739
Atom HG12 of residue 26
P5737
Atom HB3 of residue 42
Atom HB of residue 26
P7563
Atom HA of residue 26
Atom C of residue 26
Atom N of residue 26
P6170
Atom HB2 of residue 25
Atom H of residue 25
Atom OD1 of residue 25
Atom O of residue 25
Atom CA of residue 25
ASN
Atom N of residue 25
Atom H of residue 24
Atom CA of residue 24
P6142
ListSingletonContainer120
GLU
Atom HG13 of residue 23
Atom H of residue 23
Atom CD1 of residue 23
Atom CG1 of residue 23
Atom O of residue 23
Atom C of residue 23
ILE
P7507
P2669
P3770
P3767
P7504
P2666
ListSingletonContainer247
Atom HG23 of residue 22
Atom HG22 of residue 22
Atom HG1 of residue 22
Atom HB of residue 22
Atom HA of residue 22
Atom CG2 of residue 22
Atom OG1 of residue 22
P5908
Atom O of residue 22
Atom N of residue 22
P5651
ASP
Atom N of residue 21
Atom HB3 of residue 20
P159
P3734
P7471
P2633
Atom HA of residue 20
Atom HD3 of residue 19
Atom HB2 of residue 19
Atom HA of residue 19
P2395
Atom O of residue 61
Atom CG of residue 19
Atom CB of residue 19
P2398
P3076
P2608
P3066
Atom C of residue 19
P7437
PRO
Atom N of residue 19
Atom HB3 of residue 18
Atom HB2 of residue 18
P6718
P8506
Atom HA of residue 18
P3717
Atom OE2 of residue 18
P2758
Atom OE1 of residue 18
P5297
Atom CA of residue 18
GLU
Atom HG22 of residue 17
P1534
Atom HG13 of residue 17
Atom HB of residue 17
Atom H of residue 17
Atom CG2 of residue 17
P2162
Atom O of residue 17
Atom N of residue 17
Atom HG3 of residue 16
Atom HG2 of residue 16
Atom HB3 of residue 16
P8471
P7785
Atom OE1 of residue 16
Atom CA of residue 16
GLU
Atom N of residue 16
P6715
Atom HD23 of residue 15
Atom HG of residue 20
ListSingletonContainer11
Atom HD22 of residue 15
Atom HD21 of residue 15
P5297
Atom HG of residue 15
P4417
Atom HB3 of residue 15
Atom CD2 of residue 15
P3480
Atom CD1 of residue 15
P5558
P4421
Atom O of residue 15
Atom C of residue 15
P1804
Atom CA of residue 15
Atom N of residue 15
P5521
P6156
P4350
Atom HG22 of residue 14
Atom CG2 of residue 14
P1541
Atom O of residue 14
P4770
Atom CA of residue 14
Atom N of residue 14
Atom HD12 of residue 13
P7781
Atom HG23 of residue 13
Atom HG22 of residue 13
Atom HG13 of residue 13
P5743
Atom HG12 of residue 13
Atom HA of residue 13
LEU
Atom CB of residue 13
Atom C of residue 13
Atom HG1 of residue 12
Atom O of residue 12
Atom C of residue 12
P7112
Atom CA of residue 12
P4378
Atom HE3 of residue 11
P3738
P7434
Atom HG3 of residue 11
P7376
P7840
Atom HD11 of residue 23
Atom HB3 of residue 11
Atom CE of residue 11
Atom CG of residue 11
Atom CB of residue 11
P5622
Atom C of residue 11
Atom HA2 of residue 10
Atom H of residue 10
Atom C of residue 10
GLY
P4822
Atom HG23 of residue 9
Atom HG22 of residue 9
P3014
Atom HG21 of residue 9
Atom CA of residue 64
Atom HG1 of residue 9
P3012
Atom HB of residue 9
Atom HA of residue 9
Atom H of residue 9
Atom CG2 of residue 9
P4836
P7158
Atom CB of residue 9
Atom O of residue 9
THR
Atom CE of residue 63
Atom HD21 of residue 8
Atom HD13 of residue 8
P2992
Atom HD11 of residue 8
Atom HG of residue 8
Atom N of residue 63
P1441
Atom HA of residue 8
Atom CB of residue 73
Atom H of residue 8
Atom CD1 of residue 8
Atom CB of residue 8
P7132
Atom O of residue 8
P4790
Atom HG21 of residue 7
P2968
Atom HB of residue 7
Atom HA of residue 7
P1417
Atom OG1 of residue 7
P2960
Atom O of residue 7
Atom C of residue 7
Atom HD3 of residue 6
P6641
Atom CE of residue 6
P1401
P4751
P2915
Atom N of residue 6
P1385
Atom HG22 of residue 5
ListSingletonContainer56
P3626
P3620
Atom HG12 of residue 5
P6618
Atom HG11 of residue 5
P2918
Atom H of residue 5
Atom CG2 of residue 5
P7915
Atom CG1 of residue 5
P5382
P3992
Atom CB of residue 5
Atom O of residue 5
Atom HB of residue 3
P7903
Atom C of residue 5
VAL
P7737
P4
P3641
Atom HZ of residue 4
Atom HE2 of residue 4
Atom HB3 of residue 4
Atom HD23 of residue 73
P6906
Atom CZ of residue 4
Atom CE1 of residue 4
P6390
Atom CD2 of residue 4
Atom CE of residue 63
Atom CD1 of residue 4
Atom CA of residue 4
Atom HD13 of residue 3
P4742
Atom HD11 of residue 3
P1387
Atom HG23 of residue 3
Atom HG12 of residue 3
P3725
Atom H of residue 3
P3612
Atom CG2 of residue 3
Atom CB of residue 3
Atom HB3 of residue 2
P2260
Atom HB2 of residue 2
P3608
P2328
Atom HA of residue 2
P1531
P7299
Atom H of residue 2
Atom NE2 of residue 2
P3401
Atom CB of residue 2
P8285
Atom CA of residue 2
GLN
P4819
Atom HE3 of residue 1
Atom HG2 of residue 1
Atom HB3 of residue 1
P7355
Atom SD of residue 1
Atom CG of residue 1
P7598
P4608
MET
P7396
Atom HG22 of residue 14
1G6J_MODEL1.pdb
P8382
PairScore 10
P4343
Model 398
P1549
P4327
phys
PairsRestraint 9
MovedSingletonContainer7
PairPredicate 7
P4069
P5180
P2655
P7706
P8407
UnaryFunction24
AngleSingletonScore7
SingletonScore 14
UnaryFunction22
P4484
P8558
P8557
P6284
P8555
P8553
P8548
P1327
P8547
P8542
P4467
P8541
P4465
P8540
P8537
P8533
P8529
P8528
P4455
P31
P5149
P4449
P8524
P2150
P1424
P4447
P1381
P8523
P1423
P1380
P5604
P8522
P6247
P1422
P6238
P1379
P8521
P1421
P1378
P8520
P1418
P8517
P8515
P8513
P8512
P8511
P4633
P1412
P8510
P1365
P8509
P8508
P4431
P8507
P4429
P8506
P8505
P8498
P8496
P8495
P5113
P8491
P8490
P4412
P8489
P4410
P8488
P8487
P6209
P6200
P1374
P8485
ListSingletonContainer48
P8097
P8484
P4405
P8483
P8481
P8089
P5596
P5983
P1378
P8476
P5346
P5340
P8475
P4645
P8474
Atom H of residue 25
P6447
P8472
P8465
P8464
P8463
P8458
P8457
P4627
P8456
P4625
P8455
P8452
P4729
P8451
P8448
P8447
Atom CE of residue 29
P8446
P8442
P8439
P8437
P8436
P8435
P5410
P8433
P4708
P8432
Atom O of residue 28
P8430
ALA
P8427
P8426
P8425
P8424
P8423
P8418
P5389
P5383
P8416
P8415
P179
P8413
ListSingletonContainer427
P8412
P8411
P5377
P8410
P8407
P8406
P8403
P8401
P6476
P6474
P5370
P8398
P6469
Atom CB of residue 57
P1624
VAL
P8389
P8383
P2338
P1618
P8382
P5851
P1616
Atom N of residue 42
P4652
P8381
P8380
P4651
P8379
P8378
P8377
P1476
P8374
P8372
P8371
P5546
P6646
P6643
P5543
P8368
P8367
P4834
P8366
P8364
P1785
P8361
P8359
P8358
P8355
P8353
P1777
P1459
P5522
P5516
P8351
P8346
P8343
P1578
P8337
Atom CG1 of residue 23
P8336
P8335
P8334
P8333
Atom CZ of residue 42
P4606
P8332
P5304
P5298
P8330
P8329
Atom NH2 of residue 54
P1570
P8328
P8327
P8326
P8322
P8321
P8319
P6394
P8316
P8315
P4587
P8314
P8313
P5286
P5280
P8312
P5284
P5278
P8311
P8310
P8309
P8308
P4580
P8307
P8299
P8295
P6372
P6370
P8292
P8291
P4565
P8290
P4563
P8289
P6364
P4557
P8283
P5712
P8280
P8276
P8273
P8267
P8266
THR
P8262
P4532
P8260
P5231
Atom HD22 of residue 8
P8258
P4528
P8256
P2751
P8219
P8255
P8254
P1791
P8253
P4065
P5176
P5173
P4062
P1796
P7064
P1789
P8251
P8087
P8250
P4059
P5170
P5161
P4050
P8247
P8243
P4396
P8242
P8240
P4390
P8237
P8236
P18
P8235
P8233
P8230
P8229
P8227
P8225
P8224
P1
P8222
P8221
P8219
P7253
P4830
P8217
P7252
P4829
P8216
P7247
P4824
Atom CD1 of residue 50
P8211
P4823
P2136
P8210
P4822
P1340
Atom CD1 of residue 8
P8209
P4821
P1339
P8208
P4820
P1338
P8207
P4819
P1337
P8206
P4818
P1336
P8205
P4817
P1335
P8204
P1333
P8202
Atom HE21 of residue 49
ScoreState 9
P8201
P2266
P7236
P8200
P2263
P7233
P8197
P7231
P8195
P7230
P8194
P7228
P8192
P7227
P8191
P7226
P8190
P7224
P8188
P7222
P8186
P7221
Model 318
P8185
P7219
P1313
P8183
P7218
P1312
P8182
P7217
P1311
P8181
P7216
P1310
P8180
P7215
P1309
P8179
P7212
P1306
P8176
P0
P7210
P1304
P8174
P7207
P1301
P8171
P2237
P7204
P1298
P8168
P7203
P1297
P8167
P7658
P7202
P1296
P8166
P2234
P7201
P1295
P8165
P7200
P8164
P7199
P8163
P7196
P8160
P7195
Atom N of residue 48
P8159
P7193
Atom C of residue 75
Atom O of residue 6
P8157
P7191
P8155
P0
P7189
P8153
P7188
P8152
P7187
P8151
P8149
P8148
P8146
P1276
P8145
P8144
ALA
P8140
Atom NH2 of residue 74
P8139
P8138
P8137
P8135
Atom CB of residue 74
P8132
P8131
P8130
P8128
P8127
Atom HD22 of residue 73
P8125
P8123
P8121
P8120
P8119
Atom HB3 of residue 73
P8118
P8117
P8115
P8114
P5248
Atom HG22 of residue 66
P8113
P5259
P8112
P5254
P8107
P5253
P8106
P2181
P5252
P5107
P8105
P7597
P5251
P5106
Atom HH22 of residue 72
Atom N of residue 63
P8104
P5250
P2099
P8103
P8101
P5246
P8099
P7134
P8098
P8096
Atom H of residue 62
P8095
Atom HB2 of residue 72
P8093
P8091
P8090
P8088
P8087
P3426
P5232
P8085
P3425
P5231
P8084
P1361
P3423
P5229
P8082
P3422
P5228
Atom C of residue 72
P8081
P3421
P5227
P8080
P3419
P5225
P1215
Atom CA of residue 4
Atom N of residue 72
P8078
P3418
P5224
P3415
P5221
P4118
P8077
P3416
P5222
P3413
P5219
P4116
P8075
P3412
Atom HD23 of residue 67
P4115
P8074
P3414
P4117
P5220
P3411
P5217
P4114
P8073
P8072
P1207
P8070
P3410
P5216
P1206
P8069
P2
P8068
P1204
P8067
P8066
P3406
P2145
P5212
P8065
P8061
P8059
P8056
P8055
P8054
Atom HG21 of residue 70
P8053
P8052
P8051
P1203
P8050
P8049
P8048
P8047
P8045
P1
P8044
Atom O of residue 70
P8042
P8041
P8040
P8036
P8035
P8033
P8032
P8031
Atom C of residue 69
P8030
P8029
P8027
P4637
P8024
P8023
P8021
P8019
P8016
P8015
P8014
P8013
P8011
P8008
P8007
P8006
P8005
Atom ND1 of residue 68
P8004
P8003
P8002
P8001
P8000
P7998
P7995
P7994
P7993
P7990
P7988
P7987
P7986
P7984
P7983
P7980
P7979
P7977
P7976
P7975
P7974
P7972
P4002
P7969
P4001
P7968
P3998
P7965
P3997
P7964
P1734
P3996
P7963
P3995
P7962
P3994
Atom HB of residue 36
P4952
P3553
P1986
P7961
P3993
P7960
Atom HE21 of residue 40
P3991
Atom C of residue 42
P7958
P3990
P1992
P7957
P3988
P7955
P3986
P7953
P3985
Atom OG of residue 65
P7952
P3983
P7950
P3982
P7949
P1720
P3981
P7948
Atom CG of residue 40
P3980
P7947
P3979
P7946
P3978
P7945
P3977
P7944
P3976
Atom CG2 of residue 23
P7943
P3974
P7941
P3972
P7939
P3971
P3
P7938
P3970
P1181
P7937
P3968
P7935
P3967
P7934
P3965
P7932
Atom HE3 of residue 11
P3964
P7931
P4542
P7929
P7928
P7927
P7926
P7925
P7924
P1317
P7923
P7922
P7921
P7919
P7918
P7915
P7914
Atom N of residue 34
P7913
P7912
Atom O of residue 2
P7911
P7910
P7907
P4519
P7906
P4517
P7904
P4516
P7903
P4512
P7899
Atom HB3 of residue 62
P7898
P7897
P7896
P7894
P7893
P7892
P7891
P1
Atom C of residue 62
P7887
Atom NH2 of residue 74
P7886
P7885
Atom N of residue 62
P7884
P7883
P7882
P7881
P6916
P7880
P7878
P0
P7874
P7872
P7841
P3871
Atom C of residue 2
P7838
Atom CG of residue 59
P7824
P6808
P7772
P7767
P7766
P7765
P7764
P7762
P7761
P2057
P7759
P0
P7758
Atom C of residue 70
THR
P7757
P7756
P7755
P7751
P7750
Restraint 150
P7749
P7748
P7747
Atom HA of residue 13
P7744
P7743
P4889
P7742
P7739
P7738
P7736
P7734
P2038
P7733
P1315
P7732
Atom HA of residue 67
P2042
P3764
P7731
P7712
P7709
P4108
P7699
P4107
P7698
P7656
P2113
P7654
P7653
P7650
P7649
Atom HE of residue 74
P7648
P7647
P7644
P7643
P7642
P7641
P7640
P2099
P7639
P7638
P7637
P7635
P7633
P7631
P7629
Atom CA of residue 74
P7628
P7627
P7626
P7625
P2085
P7624
P7623
Atom HZ1 of residue 6
P7620
P7618
P7617
Atom H of residue 73
P7614
P7613
P7611
P7610
P7608
P7607
P7604
P7603
P7593
P1325
P7592
P7591
P7590
P7589
P7586
P7585
P7582
P7579
P7578
P7577
P7576
P7575
P7574
P7572
P7571
P7567
P7565
Atom CD2 of residue 71
P7564
P7562
P7561
P7560
P7559
P7555
P7552
P4547
P7545
P4546
P7544
P4545
P7543
P4544
P7542
P7540
P2011
Atom CA of residue 70
P7539
P7538
P7537
P7535
P7534
P7533
P7532
P7529
Atom HB of residue 70
P7528
P7526
Atom H of residue 69
P7525
P1997
P7524
P7523
P7522
P7520
P7519
P7518
P7517
Atom HG1 of residue 55
Atom HD23 of residue 69
P7516
P7515
P7514
Atom HD2 of residue 68
P7513
P7512
P3
P7511
P7510
P7508
P7507
P7505
P7504
Atom CG of residue 68
P7502
P7501
P7500
P7499
P7463
P1
P7460
Atom N of residue 66
P7458
Atom C of residue 67
P3
P7457
Atom HB3 of residue 65
P7456
P7455
Atom N of residue 67
P7454
P7453
P7452
P7451
P7449
P7448
P1925
P7447
P13132
P7446
Atom CB of residue 66
P7443
P7442
P7441
P7440
P7439
P7438
P7437
P7436
P7435
P7434
Atom CB of residue 64
P7433
P1911
P7432
P7431
P7430
P7428
P13253
P7427
P7424
P7423
P7422
P7421
P7420
Atom HG3 of residue 63
P7419
P7418
P1897
P7417
P7416
P7415
P7413
P7410
P7405
P13231
P7404
P1318
P7403
P7370
P7369
P7368
P7367
P13195
P7366
P7365
P7364
P7360
P7359
P13188
P7358
P7357
P7356
P7355
Atom HA of residue 60
P7351
P4490
P7342
Atom CB of residue 67
P3373
Atom N of residue 60
P7341
P7340
P7286
P7285
P7284
P7283
P7282
P7281
P7280
P7278
P7277
P7276
Atom CB of residue 57
Atom H of residue 48
P7275
P7274
P7273
P7272
Atom HD22 of residue 56
P7268
P7267
P7266
Atom HG21 of residue 55
P7265
P7264
P3291
P7262
Atom HB3 of residue 56
P7261
P7260
P3290
P7258
P3289
P7257
P7256
P3287
Atom CA of residue 35
P7255
Atom CA of residue 43
P3286
Atom CA of residue 55
P7254
P3283
P7251
P3280
P7248
P3279
P7247
P7246
Atom HG1 of residue 55
P7244
P7243
P13046
P7242
P7241
P13037
P1975
P7240
P7239
P7232
P7231
Atom HH21 of residue 54
P7230
P7229
P7228
P7227
P7224
P7222
Atom N of residue 40
Atom HA of residue 54
P7219
P7218
P7217
P7216
P7215
P7214
P7213
P7212
P7210
ListSingletonContainer293
Atom C of residue 39
Atom C of residue 54
P13126
P7208
P7207
P7206
Atom N of residue 39
Atom N of residue 54
P7205
P7204
P7203
P7202
P7201
P7199
P13114
P7196
ARG
Atom OE2 of residue 51
P7195
P13113
P7194
P7193
P7192
Atom OD2 of residue 52
P7191
P13108
P7189
P7188
P7187
P7180
P7179
P7698
P7177
P7175
P7173
P13090
Atom CD1 of residue 13
P7172
P7171
P7170
P4314
P13085
Atom C of residue 50
P7167
P6202
P3198
P7166
P7165
P7164
P7163
P7162
P7161
P7160
P7159
P7158
P7157
P7155
P7153
P7152
P7151
P7150
P7147
P7146
P7144
P7143
Atom OE1 of residue 64
P7141
P7137
P6170
P7134
P7133
P7132
P7131
P7130
P7129
P7128
P7126
Atom CA of residue 48
P7121
P7120
P6603
Atom HE2 of residue 48
P7119
Atom HZ1 of residue 48
P7118
P7117
P13441
P7114
P6596
P35
Atom HB2 of residue 48
P7112
P7111
Atom NZ of residue 33
P6594
Atom H of residue 48
P7110
P7109
P7108
P7107
P7106
P7103
P13430
P7101
P7100
P7099
P6582
Atom HA3 of residue 47
P7098
P7097
P7096
P3127
P7095
P7094
P7093
P7041
P7040
P6996
P4138
P6991
P6989
P4135
P6988
Atom HG2 of residue 27
P4134
P6987
P4133
P6986
P4132
P6985
P4130
Atom HG3 of residue 40
P6983
P4129
P6982
P4128
P6981
Atom CD1 of residue 23
P4127
P6980
P8475
P4126
P6979
P4125
P6978
Atom O of residue 27
P4123
P6976
P4122
P6975
P4121
P6974
LYS
P4120
P6973
P4118
P4098
P6971
P6969
P6968
P6967
P6966
P6964
P6963
P6962
P6961
P6960
P6956
P6952
P6951
P6950
P6948
P6947
P6946
P6945
P6943
P6941
P5976
P6940
P6938
P6937
P6936
P6932
P6931
P6930
P6926
Atom HG3 of residue 34
P6925
P6923
P6921
P8243
P6920
P6917
P6915
P6912
P6910
P6909
P8399
Atom CD of residue 37
P6908
P6907
P6904
Atom O of residue 36
P6903
ILE
P6900
P6898
P7759
Atom HB2 of residue 42
Atom HG23 of residue 36
P6896
P6895
P6894
Atom CB of residue 51
P6893
P13610
P6891
Atom CA of residue 51
P6890
P6887
P1320
P6886
Atom CB of residue 36
P6884
P6883
P6882
P6880
P6878
P6874
P6873
P6872
P6871
P6870
P6868
P6866
P6864
P6863
P6862
P6861
P6860
P6855
Atom HZ3 of residue 29
P6854
P6853
P6850
P1
P6849
P6847
P6846
P6845
P6841
Atom HD3 of residue 6
P6324
Atom HA of residue 33
P6840
P6839
P13560
P6838
P6834
P6830
P6829
Atom HB2 of residue 28
P6828
P6827
P6310
Atom HB2 of residue 32
P6826
P6825
P6823
P6822
P100
P5855
P6819
P6818
P0
P6814
P6813
P6812
P6811
P6807
P6806
P6804
P6287
Atom OE1 of residue 31
P6803
P6801
Atom H of residue 30
P6800
P6799
P6798
P6794
P6793
P6792
P6790
P6787
P6786
P13510
P6785
P6784
P6783
P6782
P13505
P6781
P6779
P6778
Atom O of residue 32
P6776
P6774
ASP
P6773
P6772
P6771
P6770
P6768
Atom HE3 of residue 29
P6766
P6764
Atom HA of residue 28
P6761
P8533
P6760
P13484
P8532
P6758
P5
P6756
P6755
P6753
P6749
P6748
P6747
P6744
P6739
Atom CD of residue 27
P6736
P6728
P8445
P6667
Atom HA of residue 20
P2700
P7538
P3801
P6666
P2441
P5657
P6621
Atom HE1 of residue 4
Atom HB2 of residue 21
P7138
P6617
P8397
P6615
Covariance1DFunction 39
P6613
P6612
P6611
P2031
P6610
P6609
P6605
P3975
P6603
P6602
P6601
P0
P6599
P6597
P6596
P6595
Atom CA of residue 20
P2016
P6594
Atom HB3 of residue 18
P6593
P6592
P6590
P6588
Atom HB3 of residue 19
Model 268
P6587
P6586
P6585
P6584
P6583
P3956
Atom C of residue 18
P6582
P6581
P6580
P2002
P6579
P12401
P6578
P6577
Atom HG3 of residue 18
P6575
P6573
P6572
P12397
P6571
P6570
P6569
P6568
P6567
Covariance1DFunction 38
P6566
P6564
CHARMMStereochemistryRestraint3
P6563
P6562
P12384
P6561
P6560
P6559
P6558
P6557
P6556
P6555
P6554
P6553
P6551
P6549
P6548
P6546
P6545
P8328
P6543
P8357
P6542
P8327
P6541
P1
P6539
P6537
P0
P6536
P8321
P6535
P6534
P6533
P6531
Atom CA of residue 33
P6529
P6528
P6527
P6526
P6525
P6524
Model 261
P8309
P6523
P6522
P8308
P6521
P6520
P6519
P3898
P6518
P6517
P6516
P3895
P6515
P6514
P6513
P6512
P6511
P6510
P6509
P8291
P6506
Model 259
Atom HB2 of residue 37
P6505
P6502
P12315
P6492
P6491
P8276
P6490
P6489
P6488
P6487
P6486
P6483
P6481
P6480
P6478
P6477
P8264
P6476
P3859
UnaryFunction15
P6475
P6474
P6473
P3856
P6472
P6471
P6470
P6469
Atom H of residue 26
P6468
P6467
P6465
P6464
P6463
P6462
P6460
P6457
GaussianProcessInterpolation21
P6455
P6453
P3660
P6452
P3658
P6450
P3650
P6442
P3648
P6440
P3646
P6438
P3822
P6434
P12256
P6433
Model 233
P6432
P6430
P3817
P6429
P6428
P6427
P3814
P6426
P2996
P5534
P6425
P6944
P6423
P6943
P6422
Atom N of residue 40
P6939
P6418
P6937
P6416
P8252
P6936
P6415
P6414
P6413
P6411
P3800
P6410
P6409
P8248
P6408
Atom C of residue 39
P6407
P6406
P6405
Atom N of residue 39
P6404
P2480
P6403
P8242
P6402
P6401
P3
P6400
P6399
JeffreysRestraint_P0
P6398
P6397
P3787
P6396
P6395
P6392
P6390
P6389
P6388
P6387
P6386
P6384
P6383
P6381
P6380
P3771
P6378
P5484
P6375
P6360
P6358
P6357
P6356
P6355
P6354
P6353
P6352
P5460
P6351
P6349
P6348
P6345
P6344
P6343
P6342
P6340
P6339
P6337
P6336
P6335
P3731
P6334
P6333
P6332
P6330
P6328
P6326
P6324
P6322
Atom C of residue 56
P6321
P6319
P6318
P6314
P3712
P6313
P6312
P6311
P6310
P6309
P6308
Atom CB of residue 55
P6307
P2392
P6306
P6305
P6304
P6303
P6301
P6300
P3699
P6299
P6298
P6295
Atom HG3 of residue 54
P6293
P6292
P6291
P6290
P6289
P6287
P6286
P6284
P6282
P3683
P6281
P6279
P3680
P6278
P6277
P6276
P6275
P6274
P6273
P6272
P6271
P8560
P6270
P6269
Atom CA of residue 53
P6268
P6267
P6266
P6264
P6263
P6261
P6260
P6259
P6258
P8548
P6257
P6256
P6255
P5363
Atom CA of residue 52
P6254
P5361
P6252
P5360
P8542
P6251
P5359
P6250
P5358
P3654
Atom HB3 of residue 51
P6249
P5357
P6248
P5356
P12070
P6247
P12069
P3651
P6246
P5354
P6245
P5352
P6243
P5351
P6242
P5350
P6241
P8532
P5348
P6239
P5347
P6238
P5345
P6236
P5343
P6234
P5342
P6233
P5340
P6231
P78
P5338
P6229
P6227
P6225
P6224
P6223
P6220
P6219
P6216
P6214
P2308
P6213
P6212
P6210
P6208
P6207
P3615
JeffreysRestraint_P1
P6206
P6205
P6204
P6203
P6202
P6198
P6196
P6195
P6194
P6193
P6192
P6191
P1801
P8484
P6189
P6188
P6185
P6184
P6183
P6182
P2279
P6181
P6180
P2230
P6127
P7071
P3333
P6126
P7070
P3332
P3541
P6125
P7008
P3270
P6063
P11800
P5977
P5976
P5974
P5972
P1774
P5971
P3401
P5970
P5969
P5968
P3398
P5967
OptimizerState 7
P5966
P5964
P5963
P5962
P5524
P1588
P2535
P5961
P5960
P5959
P5957
P1760
P5956
P3
P5955
P5954
P5953
P5952
P3382
P5949
P5948
P5947
P5946
P5945
P5944
P5942
P1746
P5941
P2516
P5940
P5939
P5937
P5936
P5934
P5933
P5932
P5930
P5929
P5928
P5926
P1731
P5925
P5924
P495
P5923
P5922
P5029
P5484
P2499
P5921
P5920
P5026
P5481
P2496
P5918
P5917
P5916
P5897
P5896
P3101
P1702
P5894
P2476
P3100
P5893
P5458
P3099
P5892
P5457
P3098
P5891
P5456
P3097
P5890
P5455
P3096
P5889
P5453
P3094
P5887
P5452
P3093
P5886
P5451
P3092
P5885
P5450
P3091
P1925
P5884
P5449
P3090
P478
P5883
P5446
P3087
P5880
P5445
P3086
P1688
P5879
P5444
P3085
P5441
P3082
P2460
P5878
P5443
P3084
P5877
P5442
P3083
P5876
P5875
P5440
P3081
P5874
P5436
P3077
P3310
P5870
P5435
P3076
P1911
P5869
P3075
P5868
UnaryFunction7
P5433
P3074
P5867
P5854
P1667
P5853
P5852
P5851
P5850
P5847
P1657
P5846
P5845
P5843
P5842
P5839
P1653
P5838
P2426
P5837
P5836
P11661
P5835
P5833
P5831
P1878
P5830
P455
P5829
P5828
P5827
P5826
P5824
P5822
P5821
P5820
P3028
P1460
P4932
P5819
P11644
P5818
P5817
P5816
P1864
P5815
P5814
P5813
P6754
P5375
P2400
P5812
P5811
P3256
P1856
P5810
P4908
P3004
P5808
P4907
P3003
P5807
P8089
P5800
P1849
P8088
P5799
P5797
P5795
P5794
P4904
P3000
P5793
P2988
P5792
P2987
P5791
P2986
P2983
P1418
P2370
P1827
P5790
P5789
P5788
P5787
P5785
P5784
P5783
P5782
P3232
P5780
P1598
P5779
P5778
P4883
P5776
P3222
P5773
P1588
P5772
P5771
P4880
P1819
P5770
P5769
P5768
P5767
P5766
P5764
P427
P5763
P5762
P5761
P9317
P4865
P5758
P9315
P4863
P424
P5756
P9314
P4862
P6697
P2348
P1572
P5755
P9313
P4861
P5754
P9312
P4860
P5753
P9311
P4859
P5752
P9310
P8437
P1393
P4858
P5751
P9309
P4857
P5750
P9307
P4855
P5748
P9306
P4854
P1999
P5747
P9305
P4853
P5746
P9304
P4852
P5745
P9302
P4850
P3195
P5743
P9301
P4849
P5742
P5741
P5739
GeneralizedGuinierPorodFunction 8
P5738
P6679
P2332
P5737
P5736
P5735
P5733
P5732
P5731
P5730
P5726
P5725
P5723
P3175
P5721
P5720
P5717
P5714
P4821
P5713
P1353
P2309
P5712
P5711
P5710
Atom CG of residue 18
P1529
P5709
P5708
P11527
P5705
P9262
P4820
P5703
P9260
P4810
P5701
P9259
P1343
P4809
P5700
P3155
P5699
P5698
P5695
P5694
P2292
P1514
P5693
P5692
P5691
P2289
P5690
P5689
P5688
P7971
P5686
Atom N of residue 16
P5685
P5684
P5683
P5682
P5681
P5680
P5679
P1500
P5678
P5677
P390
P5676
P5675
P5674
P5671
P5669
P5668
P3126
P5667
P5666
P5665
P1486
P5663
P5662
P5661
P5660
P5655
P5643
Model 175
P5635
P3096
P5634
P5633
P5632
P1456
P5631
P5630
P2233
P5628
P5627
P5626
P5624
P5623
P5622
P5621
P3083
P5620
P5619
P5618
P1442
P5616
P5615
P5614
P5613
P5611
P5609
P5608
P5607
P5606
P5604
P3067
P5602
P5600
P2570
P5583
P2568
P5581
P3047
P2567
P5580
P2565
P5578
P5575
P5574
P5573
P5572
P5569
P5567
P2550
P5562
P5559
P5558
P5557
P339
P5556
Atom CG of residue 46
P5555
Atom O of residue 46
P5553
P5552
P5551
P337
P5550
P2161
P336
P5549
P5548
P5547
P5545
P5544
P5543
P5542
P5540
P5539
P5538
P5536
P8250
P5535
P5534
P5533
P5532
P5530
P5529
P2142
P5528
P5527
P5526
P5525
P5524
P2995
GLY
P5523
P1352
P5522
P5521
P5520
P5518
P5515
P2718
P5512
P5511
P5510
P5509
P2120
P1340
P5508
P11329
P5507
P5506
Atom C of residue 75
P2979
P5505
P5503
P2976
P5502
P5501
P5500
P6439
P1825
P5497
P5496
P5495
P5494
Atom C of residue 92
P5493
P5489
P5488
P5487
P5486
P5485
P5484
P308
P5483
P1811
P5482
P5481
P5480
Atom CA of residue 90
P5478
P5477
P5476
P5475
Atom CA of residue 5
P5474
P2950
P5473
P2947
P5470
P5469
P5468
P5465
P5464
P5462
P5461
P5459
P5458
P5457
P5456
P5455
P5454
P5453
P5452
P1782
P5451
P5450
P5449
P5448
P5447
P5446
P5445
P5442
P5440
P5439
P5438
P5437
P1768
Atom O of residue 78
P5436
P5435
P5434
ILE
P5433
P5432
P5430
P5429
Atom CG of residue 77
P5428
P5427
P5425
P4533
P5423
P5421
P2893
P2004
P1753
P5420
P5418
P280
P5417
P4526
P5416
Atom CE1 of residue 53
P4525
P5415
P4524
Atom CD2 of residue 75
P5414
P4523
P5413
P4522
P5412
P1745
P4520
P4519
P5409
P4518
P5408
Atom CG of residue 38
P4517
Model 150
P5407
P4516
P5406
P4515
P5405
P4514
P4967
P1738
P5404
P4513
P5403
P4512
P5402
P4511
P5401
P4510
Atom O of residue 74
P5400
PHE
P4509
P5399
P4508
P5398
P4506
P271
P5396
P1731
P4505
P2878
P5395
P4504
P5394
P4503
P5393
P4501
P5391
P4500
P5390
P2439
P4499
P4952
P1724
P5389
P4498
P5388
P4497
P5387
P4494
P5384
P4493
P5383
P4492
P5382
P4491
P5381
P2052
P1717
P4490
P2864
P5380
P4488
P5378
P4485
P5375
P4484
P4937
P1710
Atom CA of residue 75
P5374
P4483
P8533
P5373
P4482
P5372
P4481
P8532
P5371
P4478
P5368
P4477
P5367
P5364
P5363
P5361
P5360
P5359
P1695
P5358
P5356
P5355
P5353
P5352
P5351
P5350
P2835
P5349
P5348
P5347
P5346
P5345
P2549
P2546
P1681
P5343
P248
P5341
P5340
P8500
P5338
P5336
P8497
P5334
P5333
P2819
Atom CD2 of residue 73
P5332
P5331
P5330
P5329
P5328
P242
P5327
P1665
P5326
P5325
P5324
P5323
P5321
P5290
P5289
P225
P5287
P2776
P5286
P5285
P5284
P5283
P5282
P5801
P5281
P0
P1622
P5280
P5279
P5278
P5277
P5276
P5273
P5272
P2762
P5271
P5269
P5268
P5266
P1608
P5265
P5264
P5263
P5245
P5215
P5213
P5210
P5209
P5208
P2702
P5207
P5206
P5205
P5204
P5202
P8757
P4763
P1547
P5200
P1975
P5198
P5197
P5196
Atom HD2 of residue 6
P5195
P11016
P5194
Atom HG2 of residue 6
P5193
P2687
P5191
P5190
P5188
P5710
P5187
P182
P5186
P8742
P4748
P1981
P1533
P5185
P5184
P1961
P11005
P8354
P5183
P5182
P5181
P5180
P5179
P5178
P5177
P2673
P5176
P5175
P5173
P5172
P5169
P5167
P5166
P5165
P8335
P5164
P8334
P5162
P2659
P5161
P5160
P5159
P8329
P5157
P5156
P8139
Atom CD2 of residue 68
P5154
P168
P5153
P5152
P5151
P5147
P2644
Atom HD23 of residue 67
P5145
P8316
P5144
Atom HE3 of residue 63
P5143
P8315
P5142
P5141
P1987
P5140
P1490
P5139
Model 130
P5138
P5137
P5136
P5135
P5133
P5132
P5131
P5128
P5127
P5126
P5125
P1476
P5124
P5122
P5121
Atom CB of residue 62
Atom HB2 of residue 65
P5105
P5104
P5103
P5102
Atom HD12 of residue 61
P5101
P5100
P5098
P2599
P5097
P5096
P5095
Atom HG12 of residue 61
P5094
P8298
P5093
P142
Atom HA of residue 61
P5092
P1445
P5091
P5090
P5088
P5087
Atom CG2 of residue 61
P5086
Atom CG1 of residue 61
P5085
P2585
P5082
P5081
P5079
P5078
P1431
P5076
Atom HZ1 of residue 63
P5075
P2532
P5074
P5073
P5072
P5071
P5070
P5069
P5068
P5066
P5065
P5063
Atom CA of residue 60
P5062
P1417
P5061
P5060
P5059
P5058
Atom HE1 of residue 59
P5057
P125
P5056
Atom CA of residue 63
P5055
P5054
P5053
P2557
P5052
P5049
P5047
P5046
P5045
P5044
Atom O of residue 85
P1360
P5002
P2463
P4998
P4997
P4996
P4995
P4994
P4993
P4992
P4991
P2499
Atom HH of residue 59
P4990
P4987
P10810
P4985
P4984
P4982
P4981
P2447
P4980
P91
P4978
P2444
P4977
P4979
Atom CZ of residue 59
Atom CG2 of residue 55
P4976
P2485
P4975
P4973
P4972
P4971
P4970
P4969
P4968
P4967
P4966
P4964
P4963
P4962
P2471
P4960
P4957
P4955
P4953
P4945
P4942
P4941
P5460
P4940
Atom C of residue 53
P4939
P4938
P4937
P4935
P4936
Atom N of residue 53
P4933
P4931
P4930
Atom CD2 of residue 56
P4927
P2398
P4926
Atom C of residue 52
P4925
P4924
P2395
P4923
Atom N of residue 52
P4922
P4921
P4920
P4919
P4918
P4893
P4892
P10712
P49
P4890
P10710
P4888
P4885
P4884
P2399
P2359
P4883
P4881
P2356
P4880
P4879
P4878
P4877
P4876
P4875
P4874
Atom HA2 of residue 53
Atom NE2 of residue 49
P4873
P4872
P4871
P4870
P4838
Atom CA of residue 48
P4868
P4867
P4866
P4865
P4864
P4863
P4862
P4861
P4860
P2040
Atom OD2 of residue 52
Atom HZ2 of residue 48
P4859
P4857
P4856
P2375
P4855
P4853
P2333
P4852
P7838
P4851
P4850
P8411
P2528
P4849
P4847
P4845
P4844
P2025
P4843
P4842
P4841
P4840
P2360
P4839
P4837
P5353
P4821
P7100
Atom HE1 of residue 45
P5333
P7797
P7097
P4820
P4812
P7795
P2331
P2293
P4810
P4803
P10393
P4571
P10391
P2097
P4569
P10390
P4568
P10389
P4567
P4566
P4564
P4563
P4562
Atom HB of residue 36
P4561
CHARMMStereochemistryRestraint11
P4560
P1623
P4559
P4558
P4555
P4554
P4553
P6836
P4552
P2255
P4551
P4550
P4549
P3645
P4548
P4547
P4544
P4543
Atom CD1 of residue 123
P2247
P4542
Atom C of residue 35
Atom NE2 of residue 31
Atom N of residue 35
P4541
P4540
P4537
P4536
P4535
P4085
P2237
P10353
P7514
P7978
P4531
Atom HD11 of residue 30
P4527
Atom C of residue 2
Atom CA of residue 7
P4525
P2054
P4524
Atom HZ3 of residue 33
P4523
P482
P4522
P1586
P4520
P8077
Atom CG of residue 39
P2225
P4518
P4517
P4519
Atom HE2 of residue 33
Atom CD1 of residue 30
P4516
P8074
Atom C of residue 39
P2222
P4105
P4515
P4514
P4513
Atom HB2 of residue 33
P4512
P4508
P4506
P4504
P4503
P4502
P4501
P4500
P4499
P2044
Atom HB3 of residue 32
P4498
P4497
P4495
Atom CE of residue 29
P4494
P4493
P4492
P4491
P1558
P4490
P468
P4489
P4488
P4487
P2196
P4486
P2043
P4485
P2193
P4483
P4482
P4480
P4479
P4478
Atom HB3 of residue 64
P7460
P4476
P7459
Atom NE2 of residue 31
P1544
P4475
P7458
P4474
P7457
P2010
P4473
P461
P7455
P2008
P4471
Atom HZ2 of residue 27
P7454
P4470
P7453
P2011
P4469
P7451
P4467
P2177
Atom C of residue 64
GLN
P7449
P4465
P7448
P4464
P7447
Atom CG of residue 42
P4463
Atom N of residue 64
P7446
P2000
P4462
P7848
P7384
P1474
Atom C of residue 24
P6684
P4400
P6642
P4358
Atom HB3 of residue 21
P6639
P1432
P4355
P6638
P4354
P6640
P4356
Atom HA of residue 21
P6637
P4353
P6635
P4351
P6634
P4350
P6633
P4349
P1756
P6632
P4348
P6628
Atom HG of residue 20
P4344
Atom CG of residue 58
Atom HG2 of residue 24
P6627
P4343
P6626
P4342
P1418
P6624
P4340
P6623
P4339
P4337
P4336
P4334
P1742
P4333
Atom O of residue 24
P4332
Atom CB of residue 57
GLU
P4329
P4328
P4326
P1404
P4325
P398
P4324
P4323
Atom HD22 of residue 56
P4322
P4321
P4320
Atom C of residue 19
P4319
P1728
Atom HB of residue 23
P4318
P4317
Atom HB3 of residue 56
P4315
P4314
P4316
Atom N of residue 19
Atom HA of residue 56
P4313
P4311
P1390
P4310
P4309
P4308
P4307
P4306
P4300
P4298
P4296
P1376
P4295
P2085
P4294
P1372
P4293
P4811
P4292
P384
P4810
P4291
Atom O of residue 55
P4809
P4290
Atom H of residue 17
P4289
P1700
Atom HB2 of residue 21
P4288
P4285
P4280
P2071
P4279
P7262
P1358
P4278
P4277
P1686
Atom HG2 of residue 54
P7256
P1820
P4276
P4275
P1822
P4273
P4272
P7253
P4270
P4268
P372
P7245
P4266
Atom CG of residue 54
Atom CA of residue 20
P4265
P4263
P4262
P7708
P4261
P370
P7707
Atom HG3 of residue 19
P4260
P7703
P4256
P1799
P7701
P4254
P4252
P4247
P1790
P4245
P3260
P4754
P1832
P4244
P3259
P4752
P4243
P3258
P4242
P2103
P3257
P4241
P4240
P4239
P4238
P4237
P4235
P1648
P4227
P1771
P4226
P4225
P7207
P4223
P7206
P4222
P1574
P7204
P4220
Atom O of residue 14
P7203
P4219
P7202
P4218
P7201
P1819
P4217
P7200
P4216
P4221
P7205
P6500
P7199
P4215
P7198
P4214
Atom C of residue 22
Atom HB of residue 13
P6498
P7197
P4213
Atom HB of residue 13
P7194
P4210
P7193
P4209
P7192
P4208
P7191
P4207
P1560
P6496
P4211
P7195
P7189
P4205
P7188
P4204
P7187
P4203
P7186
P1805
P4202
P7185
P4201
P4206
P7190
P4200
P4199
P7181
P4197
P0
P1935
P7179
P4195
P7178
P4194
P7177
P4193
P4198
P345
P7182
P7176
P4192
P7175
P4191
P1546
P4196
P7180
P7174
P4190
P7173
P4189
P7172
P4188
Atom HZ2 of residue 11
Atom CE1 of residue 45
P7170
P4186
Atom HE3 of residue 11
P7168
P4184
P1987
P4183
P4182
P5042
P1921
P7164
P4180
P7163
P4179
P7162
P4178
P7161
P4177
P7160
P4176
P1532
P4181
P7165
P7159
P4175
P338
Atom CD of residue 11
P7158
P4174
Atom HA3 of residue 10
P7157
P4173
P7156
P1777
P4172
P7155
P4171
P7154
P4170
P7153
P4169
P7152
P4168
P7151
P4167
P7148
P4164
P7147
P4163
P7146
P4162
P7145
P4161
P5037
P1518
P4166
P7150
P7144
P4160
P4165
P331
P7149
MET
P7143
P4159
P1770
Atom HG23 of residue 9
P7141
P1763
P4157
P7140
P4156
P7138
P4154
P7137
P4153
Atom HG1 of residue 12
P4118
P3604
P1332
P1729
P4117
P4115
P4114
P4103
P4102
P4101
P7093
P4100
P2875
Atom HD2 of residue 27
P2874
P6365
P4068
P6364
P4067
P6363
P4066
P4014
P4013
P4012
P4009
P4008
Atom C of residue 42
P4007
P1
P4006
P1384
P8096
Atom HG13 of residue 5
P4005
P8095
Atom HA of residue 3
P4004
P8094
Atom CZ of residue 4
P4001
P4000
P3999
P3997
P1560
P3995
P3994
P3993
P3992
P3991
P3990
P1366
P3988
P1938
P3987
P3986
Covariance1DFunction 5
P3984
P3982
P3980
P3979
Atom HG2 of residue 34
P3977
P3976
P3974
P1352
P3973
P1924
P3972
P3971
P3970
P3969
P3968
P3967
P1531
P3965
P3964
GLU
Covariance1DFunction 4
P3963
P3962
P3961
P1917
P3960
P1340
P3959
P3946
P3944
P3943
P1896
P3942
P3940
P3939
P1505
P3937
P1504
P3936
P3935
P1502
P3934
P3933
P3932
P3929
P3928
P1882
Atom O of residue 32
P3927
P1498
P3926
P3925
P3
ASP
P3924
P3923
P3922
P3921
P3920
P3919
P3918
P3916
P3913
P1868
P3912
P3911
P3910
P3909
P3907
P3906
P3905
P3904
P3903
P1480
P3902
P3899
P1467
P3898
P1854
P1466
P3897
P3866
P3863
P3862
P3859
P3858
P3857
P3856
P3855
P1422
P3854
P3853
P3852
P3850
P3847
P3846
P3845
Atom CA of residue 28
P3844
P3843
P3840
Atom HZ1 of residue 27
P6835
P3839
P3838
P3837
P2102
P3836
P3835
P3832
P3831
P3830
P3826
P3825
P3823
P3822
P3820
P6318
Atom CA of residue 27
P3819
P3817
P3816
P3815
P3813
P3812
P3811
P3809
P3808
P3807
P2074
P3806
P3805
P13267
P3804
P3802
P3801
VAL
P3800
P3798
P3797
P3796
P3795
P3794
P3793
P3792
P2060
P3791
P3790
Atom CG of residue 25
P3789
P3787
P3786
P3783
P4108
P3782
P7872
P4107
P3781
P3777
P3776
UnaryFunction16
P3775
P3774
P7659
Atom CD of residue 24
P3773
P3772
P3771
P2045
P3769
P3768
P3767
P3764
P3763
Atom HG23 of residue 23
P3761
P3759
P8545
P3757
P3756
P8544
P3755
P162
P3753
Atom CG1 of residue 23
P3750
P8538
P3749
P3748
P3747
P3745
P3744
P3743
P3741
P3740
P8529
P2017
P3739
P3738
P3737
P3735
P3733
P3732
P3731
P7825
P3729
P3728
P3726
Atom CB of residue 14
P8514
P2003
P3724
P3723
P3720
P3718
P3715
P3714
P3713
Atom CB of residue 22
P3712
P3710
P1989
P3709
P3708
Atom N of residue 18
P3705
P8496
P3704
P3703
P3702
P3700
P8490
P3698
Atom HA of residue 73
P3697
P7154
Atom CD1 of residue 73
P3695
P1975
P3694
P3693
Atom CD of residue 19
P3692
P3690
P3688
P3687
Atom N of residue 6
P8479
P3686
Atom HH22 of residue 72
P3685
P3683
P3682
P5977
P3680
P1961
P3679
P3678
Atom HG21 of residue 14
P2118
P3677
P3675
P3674
P3672
P123
P3670
P3663
P3662
P3660
P3657
P3656
P3655
P3654
P3653
P3652
P2091
P3650
ListSingletonContainer9
Atom CD1 of residue 23
P1933
P3649
P7741
P3645
P3644
P7739
P3643
P7738
P3642
P7736
P3640
P7735
P3639
P7734
P3638
P7733
P109
P3637
P2078
P7732
P3636
P7731
P3635
P1919
P3634
P3632
P8425
P3630
P3629
P8424
P3628
P3627
P3626
P3625
P3624
P105
P3622
P2064
P3621
P3620
P1905
P3619
P3618
P3617
P8409
P3613
P3612
P8408
P3611
P3572
P3571
P3570
Atom CB of residue 73
P3569
P3567
P3566
P3564
P3563
P3562
P7657
P3561
P3560
Atom HB2 of residue 8
P3559
P3558
P3557
P3556
P3554
P3553
P3552
P3551
P3550
P3549
P3548
P3547
P3546
P3544
P8342
P3542
P3541
P8341
P3540
Atom HB of residue 7
P3539
P3537
P3536
P3535
P3534
P3533
P58
P3528
P3527
P1981
P2562
P3522
P2561
P8323
P3521
P2560
P3520
P2559
P3519
P2557
P3517
P3516
P3514
P3513
P3512
ListSingletonContainer5
P5805
P3511
P5804
P3510
P5801
P6503
P3507
P3506
P4
P3505
P3504
P3503
P3508
P6504
Atom HB2 of residue 6
P3502
P3501
P3500
P3499
P3498
P6488
P3492
P6487
P3491
P6486
P3490
P3495
P6491
P6485
P3489
P3494
P6490
P6484
P42
P3488
P3493
ASN
P6489
P6483
P3487
P6482
P3486
P6481
P3485
P3442
P2515
Atom HD23 of residue 56
P3440
P3439
P3437
P3436
P3435
P3434
P3431
P3430
P3427
P3426
P3425
P3424
P3423
P3422
P3421
P3420
P3417
P3415
P3413
P3412
P3409
P2486
P3408
P8430
P3407
P3406
P8429
P3405
P3402
P3399
P3398
P3397
P27
P3396
P3395
P3394
P3392
P3391
P2470
P3390
P3389
P3387
P3385
P3384
P3383
P3382
P3381
P3380
P6735
P3274
P6733
P3272
P6732
Atom HD22 of residue 73
P3271
P6731
P2361
P3270
P6730
P3269
P3268
P3266
P3265
Atom HB3 of residue 73
P3264
P3263
Atom HA of residue 73
P3262
P3259
P3258
P3257
P3256
P7351
P5553
P3255
P3254
P3253
P3252
P3251
Atom HH22 of residue 72
P3250
P3249
P3248
P3247
P3243
P3240
Atom HB2 of residue 72
P3239
P2332
P3238
P3237
P3236
P3234
P3233
P3232
P6225
P3229
ARG
P3225
P3224
P3222
P3221
P2316
P3220
P3219
P3218
P3217
Atom HB2 of residue 71
P3214
P3213
P3212
P3211
P3210
P3208
P3207
P2303
P3206
P3205
P3204
P3203
P3202
P3201
P3199
P3198
P3197
P3196
P3195
P3193
P3192
P3190
Atom CB of residue 70
P3189
P3187
P3186
P3184
P3183
Atom HD22 of residue 69
P3182
P3181
P3180
P3179
P3178
P3177
P3174
Atom HA of residue 69
P3173
P3172
P3169
P3168
P3167
P3166
P8547
P3165
P3164
P3163
P3162
P3160
P3158
P3157
P3154
P2255
P3153
Atom CE1 of residue 68
P3152
P3151
P3150
P3149
P3147
P3144
P3143
P3142
P3141
P3139
P3137
P3136
P2239
P3135
P3133
P3132
P3130
P8513
P3129
P3128
P3127
P3126
P3123
P3122
P2226
P3121
P3119
P3118
P3117
P3115
P3114
Atom H of residue 66
P3113
P3112
P3111
P3108
P3105
P3102
P2207
P3100
Atom H of residue 65
P3099
P3098
P3097
P8288
P3096
P3094
P3093
P3091
P3090
P3089
P3088
P3087
P3085
P3084
P3083
P3080
P3079
P8243
P3047
P3045
P3044
P3043
P3042
P191
P3040
ListSingletonContainer560
P3038
P7133
P2149
P3036
P2542
P7128
P6492
P3031
P7127
P3030
P7126
P3029
P7125
P3028
P7124
P3027
P7122
P3025
P7121
P3024
P7120
Atom HG21 of residue 61
P3023
P7119
P3022
P7117
P3020
P7114
P3017
P7112
P2130
P3015
P7111
P3014
P7110
P3013
P7109
P3012
P7105
P3008
P7104
P181
P1909
P3007
P7103
P3006
P7102
ListSingletonContainer555
Atom CA of residue 61
P3005
P7101
P3004
P7100
P3003
P7099
P3002
P7098
P3001
P7097
Atom HB3 of residue 60
P3000
Atom HA of residue 60
P2998
P7092
P2995
P7091
P2994
P7090
P1896
P2993
P7089
P2992
P7088
P2991
P7087
P2990
P7086
P2989
P7085
P2988
P7084
P2987
P7082
P2985
P7081
P2984
P7079
P2982
P7076
P2979
P7074
P2977
P7071
ListSingletonContainer550
P2974
P7070
P2973
P7069
P6433
P2972
P7068
P2971
P7067
P6431
P2970
P7066
P2969
P2484
P7064
P2967
P7062
P2965
P2481
P7061
P2964
P7060
P1868
P2963
P7059
P2962
P7057
P2960
P7056
P2959
P7054
P2957
P7053
P2956
P7052
P2955
P7051
P2954
P7050
P2953
P7049
P2952
P7047
P2950
P7046
P2949
P7045
P1854
P2948
P7044
P2947
P2465
P7043
P2946
P2944
P2943
P2942
P2941
P2940
P2939
Atom CA of residue 57
P2938
P2937
P2928
P2927
P2926
P2925
Atom H of residue 56
P2924
P2923
P2922
P2919
P1826
P2918
P2915
P2436
P2914
P2913
P2912
P2433
P2911
P2909
P2907
P2905
P2904
P1812
P2903
P2901
P2898
P2897
P2896
P2895
Atom HH11 of residue 54
P2894
P2893
P2890
P2889
P1798
P2888
P2887
P2886
P2885
P2884
Atom NH2 of residue 54
P2883
P2407
P2882
P2880
P2404
ListSingletonContainer535
P2879
P2878
P2877
P2875
P2874
P1784
P2873
P2872
Atom H of residue 14
P2871
P2870
P2869
P2868
P2867
P2866
P2865
P2864
P2859
P1770
P2858
P2856
P2855
P2854
P2852
P2851
P2850
P2849
P5146
P2847
P5144
P2845
P5143
P2844
P5142
P1756
P2843
P5141
P2842
Atom OE2 of residue 51
P5140
P2841
P5139
P2840
P5138
P2839
P5137
P2838
P5135
P2836
P5134
P2835
P5132
P2833
P5129
P2830
P6718
P2359
P5128
P2829
P6715
P2356
P5125
P2826
P5124
P2825
P2824
P5121
P2822
P2821
P2820
P2819
P2814
P1728
P2813
P2812
P2811
P2810
P2809
P2808
P2806
Atom HB3 of residue 49
P2804
P2803
P1714
P2798
P6686
Atom HG2 of residue 31
P2330
P2797
P2796
P2795
P6683
P2327
P2794
Atom C of residue 49
P2793
P2792
P2791
Atom N of residue 49
P2790
P2788
P2787
P2784
P1700
P2783
P2782
ModelScoringFunction12
P2781
P2780
Atom HB3 of residue 48
P2779
P2778
P2777
P2772
P2769
P1686
Atom C of residue 48
P2768
P2767
P2766
Atom N of residue 48
P2765
P2764
P2763
P2762
P2760
P2757
P2755
P1672
P2753
P2752
MD 9
P2751
P2750
P2749
P2748
P2747
P2746
P122
P2745
P2743
P2742
P2740
Atom HD1 of residue 45
P2739
P2737
P2736
P2735
P2734
P2733
P2732
P2731
P2729
Atom CG of residue 45
P2728
P2727
P2725
P1644
P2723
P2722
P2721
P2720
P2719
P2718
P2717
P2716
P2715
Atom HG13 of residue 44
P2714
P8315
P2253
P2712
P2250
P2709
P2706
P84
P2704
P5002
Atom C of residue 44
P2703
P2702
P2701
Atom N of residue 44
P2700
P2699
MD 5
P2697
P2695
P1616
P2693
P2692
P2234
P2691
P2690
P2689
P2688
P2687
P2685
P2684
P2683
P2682
P1602
P2678
P2677
P2675
P2674
P2673
P2672
P2670
P2668
P2665
P2664
P1588
P2663
P134
P2661
P2205
P2659
P2202
P2656
P2655
P2654
P2652
P2650
P2649
P1574
P2648
P2647
P2646
P2645
Atom HA of residue 41
P2644
P65
P2643
P2642
P2640
P2639
P2638
P2637
P2635
P1560
P2633
P2631
P2630
P2629
P2176
P2627
P2626
P2625
P2173
P2624
P2623
P2620
MD 8
P1546
P2618
P2616
P2613
P2612
P2611
P2610
P2609
P2607
P2606
P1536
P2605
P2603
P2602
P2601
P2600
P2599
Atom CA of residue 39
P2598
P2597
P2595
Atom HB3 of residue 38
P2591
P1522
P4892
P2590
P2588
P2587
P2586
P2584
P2583
P2579
Atom HG3 of residue 37
P2578
P2575
P2572
P2570
P2569
P2568
P2567
P2566
P1819
P2565
P2564
P2563
P1816
P2562
P2561
P6667
Atom HG22 of residue 36
P2560
P2559
P5559
P1488
P2555
P2551
P2550
P2549
P2548
P1356
P2542
P4375
P2541
P8063
P2538
P2537
P8060
P2535
P2534
P2531
P2530
P2528
P2527
P2524
P5055
P5049
P2523
P1
P2521
P2518
P2516
P2562
P2515
P8029
P2514
P2513
P4343
P2512
P6143
P6134
P2556
P2510
P4340
P2509
Atom HD2 of residue 11
P6140
P6131
P2507
P2552
P2506
P2505
P2502
P2501
P2546
P2500
P5030
P8020
P4807
P2499
P2498
P2497
P5027
P8017
P1972
P2496
P2495
P2486
P2484
P2482
P2481
P4308
Atom CA of residue 21
P2480
P2476
P2474
P2472
P2469
P2468
Atom HG2 of residue 1
P2466
P2465
P4290
P2464
P2463
P2462
P6089
P6086
P2457
P2455
P2454
P2453
ListSingletonContainer24
P2452
P2451
P2
P2449
P2448
P0
P2445
P6068
P2442
P2439
P4963
P7953
P2437
P2436
P4258
P2435
P2434
P2433
P2431
P2430
P2429
P2428
P2426
P2424
P2423
P6046
P7935
P2422
P2421
P2420
P6043
P2418
P1
P4938
P2416
P2415
P2413
P2412
P2410
P2409
P4226
P2406
P2405
P2404
P4223
P2403
P7913
P2402
P2401
P2400
P7910
P2399
P4917
P2397
P2396
P2395
P2392
P6011
P2389
P4205
ILE
P2387
P2386
P2384
Atom OG1 of residue 22
P2383
P2381
P2376
P5993
P5984
P2374
P7881
P2373
P2371
P2366
Atom H of residue 11
P7872
P2365
P2360
P2357
P2356
P2354
P8535
P2353
P5324
P2351
P2349
P2348
P2347
P2346
P2344
P8532
P5958
P5949
P2342
P2337
P2333
P4842
P4869
P2332
P4141
P2329
P4138
P2326
P2325
P2324
P2322
P4831
P2319
P8497
P2317
P5929
P7810
P2315
P2314
P2311
P4120
P8489
P2310
P2307
P4814
P4808
P2305
P8484
P2304
P2300
Atom HD2 of residue 68
P2303
P4804
P2301
P7792
P2299
P4807
P2298
P2296
P2295
P2293
P2288
P0
P4794
P5894
P4078
P2282
P2281
P2278
P2277
P2276
P2274
P8457
P7766
P4780
P2271
P2270
Atom O of residue 3
P5876
P2267
P7763
P4060
P2266
P2264
P2259
P2256
P5216
P2253
P8196
P2252
P2251
P8193
P2249
P5851
P2240
P7726
P2239
P2235
P4025
P2234
P2232
P2227
P2226
P2224
P2220
P5822
P2218
P2211
P3996
P2208
P2207
P2206
P3993
P2205
P8143
P2204
P8376
P2201
P7683
P2200
Atom CG1 of residue 70
P2199
P2197
P5794
P4695
P7685
P2195
P2193
P7682
P8367
P2192
P2191
P2188
P2186
P2183
P2179
P2178
Atom CA of residue 30
P4674
P2168
P2164
P2161
P5113
P2159
P2158
P3940
P2157
P2155
P2154
P2150
P5745
Atom HG21 of residue 13
P5742
P5733
P2146
P2145
P2144
P2143
P2141
P2138
P2135
P2134
P2131
P2125
P2124
P2123
P3861
P2122
P2121
P2119
P2117
P3851
P203
P2116
P2895
P7310
P2115
P2111
P2110
P3848
P2109
P7937
P2107
P198
P4371
P2105
P2880
P7295
P2101
P2100
P2097
P2096
Atom HG13 of residue 3
P3833
P6126
P2095
P193
P2094
P4356
P6820
P2091
P2089
P3821
P2088
P2865
P2087
P7279
P2086
P188
P2083
P2082
P2080
P13273
P2078
P13269
P2075
P2850
P2073
P7264
P183
P2072
Atom CB of residue 26
P2068
Atom O of residue 26
P3803
P2067
P2066
P7892
P2065
P2064
P178
P2061
P2058
P2055
P2054
P3788
P2053
P2052
P2050
Atom HD3 of residue 27
P2049
P8560
P4304
P2048
P2046
P2813
P2044
P2043
P6770
P7224
P2040
P2039
P2037
P2036
P7854
P2035
P4289
P2034
P2032
P3754
P2031
P2798
P2030
P2025
P3751
P2024
P2023
P8533
P2022
P4274
P2020
P8530
P2018
P6740
P7194
P2012
P2011
P3736
P2010
P2009
P2008
P7823
P4259
P2006
P2004
P2001
Atom CG2 of residue 3
P6725
P1998
P3721
P1996
P1995
P1994
P1993
P7808
P4244
P1992
P2753
P1988
P1987
P3203
Atom H of residue 20
P6710
P1984
P1983
Atom HD22 of residue 73
P3706
P7162
P1982
P1980
P1976
P2738
Atom HA of residue 2
P1974
P1973
P1969
P3691
P7147
P1968
P1967
P1965
P7778
P4214
P1964
Atom N of residue 19
P1962
P2723
Atom HG2 of residue 18
P1960
P3676
P8465
P1954
P7131
P1953
P1952
P7174
P4559
P1951
P4199
P1950
P1945
P6664
P1941
P3661
P1940
P1938
P8447
P4184
P1936
P7742
P3646
P1926
P7101
P1925
P1924
P1923
P4169
P1922
P1916
P1911
P7085
P1910
P1909
P4154
P1908
P1902
P3943
P3934
P1898
P7909
P1897
P1895
P1893
P1891
P6926
P1889
P1888
P3227
P1887
P1886
Atom HH12 of residue 74
P3929
P7895
P1884
P6929
P1882
P1880
P1861
P1858
P1854
P4339
P1853
P1852
P1850
P1849
Atom CE of residue 1
P1848
P1847
P1846
P1844
P1841
P1840
P1830
P8398
P1825
P8397
P7060
LYS
P1824
P5896
P8396
P1823
Atom CA of residue 17
P2638
P1818
P1816
P1815
P1811
P1805
P1803
P1802
P4603
P4597
P1800
P5701
P1795
P8275
P1794
P1793
P1790
P1789
P1788
Atom HB2 of residue 16
P4588
P7571
P3875
P1785
P5044
P1783
P5686
P1781
P1780
P1779
P1776
P1774
P4573
P7556
P3860
P1771
P1769
P5671
P1766
P1765
P8245
P8003
P1763
P1762
P1761
P1760
P4558
P0
P1758
P3842
P7538
Atom O of residue 16
P3845
P7541
P1757
Atom CB of residue 16
P4549
P1755
Atom CB of residue 16
P5656
P1754
P1753
P1747
P2532
P1746
P1744
P7526
P3830
P1743
P4538
P5631
P1739
P1737
P7982
P5636
P1733
P1732
P1730
P7511
P3815
P1729
P1727
P1726
P5625
P5616
P1725
P1723
P7964
P4519
P1719
P1718
P3800
P7496
P1715
P1713
P2499
P1712
P5610
P5601
P1711
P2489
P1702
P7481
P3785
P1701
Atom C of residue 13
P1699
P1696
P1695
P7934
P2486
P4489
P1690
Atom CB of residue 5
P1689
P1686
P1684
P1681
P4474
P1677
P1676
P1672
P5565
P2456
P1668
P1667
P1662
P1661
P7436
P3740
P1659
P1658
P1656
P5550
P1654
P1653
P4444
P2433
P1644
P1643
P4429
P7866
P1635
P2423
P1634
P1633
P1630
P1629
P5520
P1627
P5510
P1626
P1625
P1620
P1619
P1616
P1613
P5504
P1611
P4399
P4393
P1609
P4853
P1607
P7835
P1606
P1604
P1602
P1601
P2390
P0
P1600
P7372
P1599
P1597
P4846
P4384
P4837
P1592
P7819
P1591
P3665
P1589
P7360
P1588
P1585
P1583
P1579
P1578
P7804
P1577
P5458
P5449
P1569
P1574
P7345
P4818
P4354
P4348
P1567
P1565
P1564
P1570
P7341
P7789
P1563
P1550
P1549
P1548
P2334
P1542
P5428
P1541
P3605
P1533
P2324
P1532
P1529
P1528
P1527
P1523
P1522
P1521
P7743
P1520
P3590
P1519
P1517
P2301
P1508
P7729
P1507
P1506
P3575
P1505
P7268
P1502
P1501
P1499
P1495
P8231
P1494
P1493
P1492
P3560
P1491
P7711
P1490
P1489
P1488
P1487
P7251
Atom HG22 of residue 3
P1486
P1485
P1481
P1480
P3545
P1477
P7695
P1475
P1467
P1466
P1465
P3530
P1463
P1462
P7680
P1461
P1460
P1459
P1458
P7220
P1457
P5324
P1452
P1451
Atom N of residue 49
P8184
P1450
P3515
P1449
P1448
P7665
P1447
P1446
P7205
P1443
P1438
P1299
P8169
P1436
P1434
P1433
Atom HA of residue 11
P7649
P1432
P1431
P2225
P1430
P7190
P1429
P1424
P5302
Atom N of residue 75
P8154
P1422
P3485
P1421
P1420
P1417
P1416
P1415
P5287
P1408
P1414
P7174
P3470
P1407
P2202
P1406
Atom HD1 of residue 4
P1405
P7619
P1404
P1403
P1402
P2192
P1396
P5272
P5263
P1395
P8124
P1394
P3455
P1393
P4168
P1399
P4633
P7158
P1392
P1391
P1383
P1381
P5256
P8109
P5247
P1380
P3440
P1379
P2100
P1373
P1372
P7586
P1371
P1370
P2164
P1365
P1363
P1344
P7108
P1342
P2138
P1339
P1337
P8062
P3394
P1335
P1334
P1340
P7096
P1332
P1330
P6967
P6502
P1327
P4026
P1326
P1325
P7516
P1323
P1322
P1321
P1320
P1311
P1310
P6910
P1309
P2654
P7705
P1308
P2651
P7702
P1306
P5335
P7760
P7634
P1418
Atom HB3 of residue 73
P3699
Atom HB3 of residue 18
P1959
P5292
Atom HA3 of residue 76
Atom HA2 of residue 76
P1898
P7340
Atom N of residue 76
Atom HA2 of residue 75
Atom H of residue 75
P3890
Atom O of residue 75
Atom C of residue 75
P3887
GLY
Atom N of residue 75
P5275
Atom HH22 of residue 74
Atom HH12 of residue 74
Atom HE of residue 74
Atom HG3 of residue 74
P3876
Atom HG2 of residue 74
Atom HB3 of residue 74
P5264
Atom HB2 of residue 74
Atom H of residue 74
P4969
Atom HB3 of residue 58
Atom NH2 of residue 74
Atom NH1 of residue 74
Atom CZ of residue 74
P4412
Atom CG of residue 58
Atom CB of residue 74
P1618
Atom CA of residue 74
P7500
Atom HD23 of residue 73
Atom HB2 of residue 58
P4965
Atom HD22 of residue 73
P5885
Atom HD21 of residue 73
P7246
P4961
P8304
Atom HD12 of residue 73
P4958
Atom HB3 of residue 73
Atom HB2 of residue 73
P4956
Atom HA of residue 73
Atom H of residue 73
Atom CD2 of residue 73
P4050
P4029
P7487
Atom CD1 of residue 73
Atom C of residue 73
P5888
Atom CB of residue 4
Atom CA of residue 73
Atom HH11 of residue 72
Atom HD3 of residue 72
Atom HD2 of residue 72
P1838
Atom HG2 of residue 72
P1451
P6870
P1837
Atom HB3 of residue 72
P4405
P1836
Atom HB2 of residue 72
P6766
Atom HA of residue 72
Atom NH2 of residue 72
Atom NE of residue 72
Atom CD of residue 72
Atom CB of residue 72
Atom C of residue 59
Atom O of residue 72
P8162
Atom C of residue 72
P8171
P6792
Atom CE2 of residue 59
Atom HA of residue 59
P3338
P2620
Atom CG of residue 58
Atom HD11 of residue 71
P3331
P1327
Atom C of residue 58
Atom HB2 of residue 71
P3329
Atom N of residue 43
ListSingletonContainer442
Atom H of residue 71
Atom CB of residue 71
P8191
Atom HG22 of residue 70
P7746
Atom HG13 of residue 70
P2247
Atom HG12 of residue 70
Atom HB of residue 70
P4033
Atom HA of residue 70
Atom CG2 of residue 70
P2202
Atom CB of residue 70
Atom O of residue 70
VAL
P4697
P5796
P5793
P4694
Atom HD22 of residue 69
Atom HD21 of residue 69
Atom HD13 of residue 69
P2190
Atom HD11 of residue 69
Atom HG of residue 69
Atom N of residue 70
Atom HA of residue 69
P5038
P3639
Atom H of residue 69
Restraint 55
P7082
Atom CD2 of residue 69
Atom HD21 of residue 69
Atom CD1 of residue 69
LEU
P7074
GLN
Atom N of residue 69
Atom HE1 of residue 68
Atom HD2 of residue 68
P8034
Atom HD1 of residue 68
Atom HB3 of residue 68
P5023
P3624
Atom HB2 of residue 68
P7067
Atom HA of residue 68
P7065
Atom NE2 of residue 68
Atom CB of residue 68
P6393
Atom CA of residue 47
HIS
Atom HA of residue 67
P7362
Atom CD1 of residue 61
Atom CD2 of residue 67
Atom CG of residue 67
P3391
P8209
Atom O of residue 67
ListSingletonContainer315
P6829
Atom C of residue 67
P8206
LEU
P6826
Atom N of residue 67
Atom HG22 of residue 66
P4497
P2664
Atom CG2 of residue 66
P6360
Atom OG1 of residue 66
P8194
P6815
Atom CB of residue 66
P6358
Atom O of residue 66
Atom C of residue 66
Atom CA of residue 66
Atom HG of residue 65
Atom HA of residue 65
P3020
P4412
Atom H of residue 65
Atom CB of residue 65
P1307
P7023
Atom O of residue 65
Atom C of residue 65
P2558
Atom CA of residue 65
P5641
P6120
Atom N of residue 65
P8242
P2184
Atom HG2 of residue 64
P6741
Atom HB3 of residue 64
P2634
Atom HB2 of residue 64
Atom HA of residue 64
Atom CG of residue 64
P4918
Atom CB of residue 64
Atom O of residue 64
P2367
P1576
GLU
P3650
P1575
Atom N of residue 64
Atom HZ3 of residue 63
P1573
Atom HZ2 of residue 63
Atom HD2 of residue 63
P4904
Atom HG3 of residue 63
Atom HG2 of residue 63
Atom HB2 of residue 63
Atom HA of residue 63
Atom HD3 of residue 54
Atom H of residue 63
P1320
Atom NZ of residue 63
Atom CE of residue 63
Atom CD of residue 63
Atom C of residue 63
Atom HA of residue 73
P8116
Atom CA of residue 63
P4159
P4624
P7149
GaussianProcessInterpolation39
Atom HE22 of residue 62
P1235
P5103
P3704
Atom HE21 of residue 62
Atom CG1 of residue 44
Atom HG3 of residue 62
Atom CB of residue 44
Atom HG2 of residue 62
P4711
Atom O of residue 44
Atom HB3 of residue 62
Atom C of residue 44
P8097
Atom HB2 of residue 62
Atom OE1 of residue 62
P5249
P8102
Atom CD of residue 62
P1226
P5092
P3693
Atom CG of residue 62
Atom CB of residue 62
Atom O of residue 62
P2094
P4700
Atom C of residue 62
Atom HB3 of residue 43
GLN
P4697
Atom HB2 of residue 43
Atom N of residue 62
Atom HD12 of residue 61
P2245
Atom HG22 of residue 61
Atom HG21 of residue 61
Atom HE3 of residue 27
P2877
P2856
Atom CG2 of residue 61
Atom CG1 of residue 61
Atom CB of residue 61
P7758
Atom C of residue 61
P7755
Atom N of residue 61
Atom HD22 of residue 60
P5866
Atom HB3 of residue 60
P5853
Atom HB2 of residue 60
P2265
P5864
Atom HA of residue 60
Atom H of residue 60
Atom ND2 of residue 60
Atom OD1 of residue 60
P3496
Atom O of residue 60
P8352
Atom C of residue 60
P8294
Atom CA of residue 60
P5786
Atom N of residue 60
Atom HH of residue 59
P1945
P8347
Atom HE1 of residue 59
P6947
Atom HD1 of residue 59
Atom HB3 of residue 59
Atom HA of residue 59
P6478
P3482
Atom H of residue 59
P39
Atom OH of residue 59
Atom CZ of residue 59
Atom CE2 of residue 59
Atom CG of residue 59
Atom O of residue 59
TYR
Atom HB3 of residue 58
Atom HB2 of residue 58
Atom HA of residue 58
P6453
P3457
Atom C of residue 58
P7552
Atom CA of residue 58
P3452
Atom HB3 of residue 57
Atom HA of residue 57
P3
Atom OG of residue 57
Atom C of residue 57
P8464
Atom CA of residue 57
Atom N of residue 57
P7543
P6443
P5737
Atom HD22 of residue 56
Atom HD21 of residue 56
P3438
Atom HD13 of residue 56
Atom HG of residue 56
P5730
Atom HB3 of residue 56
Atom H of residue 56
Atom CD2 of residue 56
Atom CD1 of residue 56
Atom C of residue 56
Atom C of residue 72
Atom CA of residue 56
P11108
Atom N of residue 56
Atom HG21 of residue 55
Atom HG1 of residue 55
Atom HB of residue 55
Atom HA of residue 55
Atom H of residue 55
Atom HA of residue 69
Atom OG1 of residue 55
Atom O of residue 55
Atom C of residue 55
P3103
Atom HH22 of residue 54
Atom HH11 of residue 54
P7769
Atom HD3 of residue 54
Atom HG3 of residue 54
Atom HG2 of residue 54
P7246
Atom HB3 of residue 54
Atom HB2 of residue 54
Atom HA of residue 54
P7498
Atom H of residue 54
Atom NH2 of residue 54
Atom NH1 of residue 54
P2668
P2070
P1428
Atom O of residue 54
Atom CA of residue 54
P4645
Atom HA3 of residue 53
P6267
Atom H of residue 53
Atom O of residue 53
P5640
P6027
Atom C of residue 53
Atom HB2 of residue 52
P8145
P5155
Atom H of residue 52
Atom OD2 of residue 52
P13286
P3824
Atom CG of residue 52
Atom CB of residue 52
Atom O of residue 52
Atom C of residue 52
ASP
P5378
Atom HB3 of residue 51
Atom OE1 of residue 51
P5366
Atom CA of residue 51
GLU
Atom N of residue 51
P2236
Atom HD23 of residue 50
Atom HD13 of residue 50
Atom HD12 of residue 50
P3551
Atom HD11 of residue 50
Atom HA of residue 50
Atom CG of residue 50
P3540
Atom O of residue 50
GaussianProcessInterpolation65
Atom C of residue 50
P6162
Atom N of residue 50
Atom HG2 of residue 49
P1600
P6773
Atom HB3 of residue 49
P6155
Atom HB2 of residue 49
P5
Atom HA of residue 49
P6153
Atom H of residue 49
P1797
P5467
Atom CG of residue 49
P1796
P9004
Atom CB of residue 49
P1795
Atom O of residue 49
P5463
P6098
P5473
Atom CA of residue 49
GLN
P6096
P5471
Atom N of residue 49
Atom HZ2 of residue 48
P6093
P5468
Atom HZ1 of residue 48
Atom HE2 of residue 48
Atom HD3 of residue 48
Atom HG3 of residue 48
P5844
P5293
Atom HG2 of residue 48
Atom H of residue 48
Atom CG of residue 48
Atom CA of residue 48
P5830
P5279
LYS
Atom HA3 of residue 47
Atom CA of residue 47
GLY
Atom N of residue 47
Atom HB3 of residue 46
Atom O of residue 71
Atom HB2 of residue 46
Atom HB1 of residue 46
P7707
P5816
P5265
Atom HA of residue 46
Atom CB of residue 46
Atom O of residue 46
ALA
Atom N of residue 46
P5806
P7697
Atom HZ of residue 45
Atom HE2 of residue 45
Atom HE1 of residue 45
Atom HD1 of residue 45
Atom HA of residue 45
P5635
Atom H of residue 45
Atom CZ of residue 45
Atom CE2 of residue 45
Atom CE1 of residue 45
Atom CD1 of residue 45
Atom CG of residue 45
Atom C of residue 45
Atom N of residue 45
Atom HD13 of residue 44
P2182
Atom HG23 of residue 44
Atom HG13 of residue 44
Atom HB of residue 44
P3308
P6744
Atom CG2 of residue 44
Atom CG1 of residue 44
Atom CB of residue 44
Atom O of residue 44
P8127
Atom C of residue 44
P8038
P3367
ILE
P4537
Atom HD23 of residue 43
P7061
Atom HD22 of residue 43
Atom HD21 of residue 43
Atom HD13 of residue 43
Atom HD11 of residue 43
P8026
P7052
Atom HA of residue 43
Atom H of residue 43
P5168
P4534
P4057
P7059
Atom CD1 of residue 43
LEU
Atom N of residue 43
Atom HH21 of residue 42
Atom HG2 of residue 42
P6416
Atom HB3 of residue 42
P6413
Atom H of residue 42
Atom NH1 of residue 42
P5604
Atom NE of residue 42
P7667
P2176
Atom CD of residue 42
P1598
Atom CG of residue 42
Atom C of residue 42
Atom CA of residue 42
P3319
ARG
Atom HE22 of residue 41
Atom HG3 of residue 41
Atom HB2 of residue 41
P4012
P4003
Atom NE2 of residue 41
P5125
P7014
Atom OE1 of residue 41
Atom N of residue 41
Atom HE22 of residue 40
P4000
P7967
P7002
Atom HG3 of residue 40
Atom H of residue 40
Atom OE1 of residue 40
Atom CD of residue 40
P3989
P7956
Atom CB of residue 40
Atom N of residue 40
Atom HB3 of residue 39
Atom HA of residue 39
P8027
Atom OD1 of residue 39
P190
P6497
P6032
P3893
Atom CG of residue 39
Atom CB of residue 39
P6495
P6030
P3891
Atom O of residue 39
Atom C of residue 39
P2537
Atom CA of residue 39
ASP
P2014
Atom C of residue 59
P7338
Atom N of residue 39
P6887
Atom HD3 of residue 38
P1895
P411
Atom H of residue 21
Atom HD2 of residue 38
P7890
Atom HG3 of residue 38
P3565
Atom HG2 of residue 38
Atom HB3 of residue 38
Atom HB2 of residue 38
ListSingletonContainer505
P2694
P8282
Atom O of residue 38
P4966
Atom C of residue 38
Atom HG2 of residue 1
P4407
Model 336
Atom CA of residue 38
PRO
P5507
P4963
Atom N of residue 38
P4402
Atom HG3 of residue 37
P4400
Atom HB3 of residue 37
Atom HB2 of residue 37
Atom CD of residue 37
P5496
P4952
Atom CB of residue 37
Atom O of residue 37
PRO
P1
P4388
Atom HD13 of residue 36
Atom HG23 of residue 36
Atom HG21 of residue 36
Atom HG13 of residue 36
Atom HB of residue 36
Atom H of residue 36
Atom CD1 of residue 36
Atom CG1 of residue 36
P3920
Atom CB of residue 36
P1
Atom O of residue 36
Atom O of residue 13
Atom C of residue 36
Atom N of residue 36
P5309
Atom O of residue 35
Atom C of residue 35
Atom CA of residue 35
P5306
GLY
Atom N of residue 35
Atom HG2 of residue 34
Atom HB3 of residue 34
Atom HB2 of residue 34
P3901
Atom HA of residue 34
Atom H of residue 34
Atom CG of residue 34
Atom CB of residue 34
Atom O of residue 34
Atom C of residue 34
GLU
Atom N of residue 34
P3887
Atom HZ2 of residue 33
Atom HE3 of residue 33
Atom HE2 of residue 33
Atom HD2 of residue 33
Atom HG3 of residue 33
Atom HG2 of residue 33
Atom HB3 of residue 33
Atom HB2 of residue 33
P3876
Atom HA of residue 33
P4949
Atom NZ of residue 33
P5336
Atom CE of residue 33
Atom CD of residue 33
Atom CG of residue 33
Atom CB of residue 33
Atom C of residue 33
P8554
P7873
P2372
Atom N of residue 33
Atom HB3 of residue 32
P2
Atom HA of residue 32
P1
P2364
Atom CB of residue 32
Atom O of residue 32
Atom C of residue 32
Atom CA of residue 32
ASP
P4875
Atom N of residue 32
Atom HA of residue 31
P1609
Atom NE2 of residue 31
Atom CG of residue 31
Atom O of residue 31
P7313
Atom C of residue 31
GLN
P7310
Atom N of residue 31
P3857
Atom HG12 of residue 30
Atom HA of residue 30
Atom H of residue 30
P1594
P3846
Atom CG2 of residue 30
Atom CB of residue 30
Atom C of residue 30
P5782
P4683
Atom N of residue 30
Atom HZ3 of residue 29
Atom HE2 of residue 29
Atom HG3 of residue 29
Atom HB3 of residue 29
Atom HB2 of residue 29
Atom HA of residue 29
P2439
Atom CE of residue 29
P3873
Atom CB of residue 29
P6878
P3181
Atom HB3 of residue 28
Atom HA of residue 28
Atom CA of residue 28
P7832
Atom N of residue 28
Atom HZ3 of residue 27
Atom HZ2 of residue 27
P4740
Atom HZ1 of residue 27
P8126
Atom HE3 of residue 27
Atom HE2 of residue 27
Atom HD21 of residue 73
P5125
Atom HD3 of residue 27
Atom HD1 of residue 45
P8133
Atom HD2 of residue 27
Atom HG3 of residue 27
P5122
Atom HG2 of residue 27
P3722
Atom HB3 of residue 27
Atom HB2 of residue 27
Atom HA of residue 27
Atom CB of residue 27
Atom O of residue 27
Atom HG23 of residue 26
Atom HG22 of residue 26
Atom HG21 of residue 26
Atom HG12 of residue 26
Atom HG11 of residue 26
Atom HA of residue 26
Atom CG2 of residue 26
Atom O of residue 26
Atom C of residue 26
VAL
P5418
Atom HD22 of residue 25
Atom HD21 of residue 25
Atom HA of residue 25
Atom ND2 of residue 25
P5618
P5561
Atom CB of residue 25
P9098
Atom O of residue 25
Atom HG3 of residue 24
Atom HG2 of residue 24
Atom HB3 of residue 24
Atom HB2 of residue 24
Atom HA of residue 24
P3
Atom OE1 of residue 24
Atom CD of residue 24
P5448
Atom CB of residue 24
Atom O of residue 24
GLU
Atom HD13 of residue 23
Atom HG23 of residue 23
P8449
Atom HG21 of residue 23
P4186
Atom HG13 of residue 23
Atom H of residue 23
Atom CG1 of residue 23
P4553
Atom O of residue 23
P5309
Atom C of residue 23
ASN
Atom HG23 of residue 22
P421
Atom C of residue 23
Atom HG22 of residue 22
P6420
Atom HG21 of residue 22
P8445
Atom HG1 of residue 22
P6883
Atom HB of residue 22
P1716
P6229
Atom CB of residue 22
P2255
Atom O of residue 22
Atom C of residue 22
Atom CA of residue 22
THR
Atom HB3 of residue 21
Atom C of residue 60
Atom HA of residue 21
Atom H of residue 21
Atom OD1 of residue 21
Atom CG of residue 21
Atom CB of residue 21
Atom O of residue 21
Atom C of residue 21
P4311
P2483
ASP
Restraint 94
Atom N of residue 21
Atom HB3 of residue 20
Atom HA of residue 20
P5471
P6106
Atom CB of residue 20
Atom O of residue 20
Atom C of residue 20
P2471
Atom CA of residue 20
SER
Atom N of residue 20
P2078
Atom NH1 of residue 54
Atom HA3 of residue 53
Atom HD2 of residue 19
Atom HG3 of residue 19
P6553
P7252
P3350
Atom HG2 of residue 19
Atom HB3 of residue 19
Atom CD of residue 19
Atom CG of residue 19
Atom O of residue 19
Atom OE1 of residue 51
P6937
Atom HG3 of residue 18
Atom HG2 of residue 18
P13000
P4179
Atom HB3 of residue 18
P8432
P7743
Atom OE2 of residue 18
Atom OE1 of residue 18
P7741
Atom CD of residue 18
Atom CG of residue 18
Atom O of residue 18
Atom C of residue 18
P1658
P2738
Atom N of residue 18
P6843
Atom HG23 of residue 17
Atom HG22 of residue 17
Atom HG11 of residue 17
Atom HB of residue 17
Atom HA of residue 17
Atom H of residue 17
Atom HB3 of residue 50
Atom CG1 of residue 17
Atom C of residue 17
VAL
Atom HG3 of residue 16
Atom HA of residue 16
Atom H of residue 16
Atom OE2 of residue 16
Atom CA of residue 16
GLU
P2257
Atom N of residue 16
P2244
Atom HD23 of residue 15
P7550
Atom HD13 of residue 15
Atom HD12 of residue 15
Atom HD11 of residue 15
Atom HG of residue 15
P7959
P4514
Atom O of residue 72
Atom CD1 of residue 15
Atom CG of residue 15
Atom O of residue 15
Atom C of residue 15
P6136
LEU
Atom HG23 of residue 14
HIS
Atom HG21 of residue 14
P7996
Atom HB of residue 14
Atom OG1 of residue 14
Atom CB of residue 14
Atom N of residue 14
P7283
P1516
Atom HD12 of residue 13
Atom HD11 of residue 13
Atom HG23 of residue 13
Atom HG22 of residue 13
Atom HG21 of residue 13
Atom HG12 of residue 13
Atom O of residue 13
Atom C of residue 13
P2770
Atom CA of residue 13
P2766
Atom N of residue 13
Atom HG23 of residue 12
Atom HG22 of residue 12
P7507
Atom HG21 of residue 12
Atom HB of residue 12
Atom H of residue 12
P8443
P3648
Atom CG2 of residue 12
P7746
P3647
Atom OG1 of residue 12
P6031
P2570
P6525
Atom O of residue 12
P2607
Atom C of residue 12
P1612
THR
P2492
Atom N of residue 12
P5031
P8021
Atom HZ2 of residue 11
P3973
P7940
P6353
Atom HD3 of residue 11
Atom HB3 of residue 11
P1636
P3891
P3882
Atom HA of residue 11
Atom H of residue 11
P4136
Atom CB of residue 11
P6605
P5899
Atom C of residue 11
P8395
P4129
P1822
P4132
Atom CA of residue 11
Atom CG of residue 16
P2640
Atom N of residue 11
Atom H of residue 74
P2632
GLY
Atom N of residue 10
Atom HG23 of residue 9
Atom HG21 of residue 9
Atom HG1 of residue 9
Atom HB of residue 9
Atom HA of residue 9
Atom CG2 of residue 9
P3576
P8375
Atom CB of residue 9
Atom O of residue 9
Atom C of residue 9
P6568
P4
Atom CA of residue 9
P8367
Atom HD22 of residue 8
P6565
P7658
Atom HG of residue 8
P7017
Atom H of residue 8
P2594
Atom CD1 of residue 8
P7012
Atom CB of residue 8
P3545
Atom N of residue 8
P3538
Atom HA of residue 7
P2576
P6531
P8336
P6996
Atom H of residue 7
Atom CG2 of residue 7
Atom O of residue 7
P4743
Atom C of residue 7
Atom CA of residue 7
P1308
P3530
THR
P6988
Atom N of residue 7
P3525
Atom HZ1 of residue 6
P6024
P2579
P6518
Atom HE3 of residue 6
P6980
Atom HD3 of residue 6
P54
Atom HD2 of residue 6
P6978
Atom HG3 of residue 6
P5797
Atom HB3 of residue 6
P7322
Atom H of residue 6
Atom CG of residue 6
LYS
P5364
P5999
Atom HG13 of residue 5
Atom HG12 of residue 5
Atom CG2 of residue 5
P4034
P4992
P3593
Atom CG1 of residue 5
P7082
Atom O of residue 5
P2432
Atom CA of residue 5
P2713
1G6J_MODEL1.pdb
Atom N of residue 5
P89
P6818
Atom H of residue 10
Atom HZ of residue 4
Atom HE2 of residue 4
P6755
P7209
P2026
P7620
Atom HE1 of residue 4
Atom HD2 of residue 4
P6866
Atom HD1 of residue 4
P4892
Atom HA of residue 4
Atom HD2 of residue 59
Atom CZ of residue 4
P4561
Atom CD1 of residue 4
Atom CG of residue 4
Atom CB of residue 4
Atom C of residue 4
P5288
Atom N of residue 4
P1797
Atom HD11 of residue 3
P287
P4581
Atom HG23 of residue 3
Atom HG22 of residue 3
Atom HG21 of residue 3
P8448
P1937
Atom HG13 of residue 3
P4607
P7445
Atom H of residue 3
P4548
Atom H of residue 35
Atom CD1 of residue 3
P3520
Atom CG1 of residue 3
Atom CB of residue 3
P8466
P5888
Atom C of residue 3
ILE
P3855
Atom HE21 of residue 2
P1767
Atom HG3 of residue 2
Atom HB2 of residue 2
Atom HA of residue 2
Atom H of residue 2
P4544
Atom HB2 of residue 28
Atom CD of residue 2
GLN
Atom N of residue 2
Atom HE2 of residue 1
P5290
P1266
Atom HE1 of residue 1
Atom HG3 of residue 1
P6088
P3992
P7959
P1384
P4950
P3551
Atom HA of residue 1
P5001
Atom CA of residue 60
Atom CE of residue 1
Atom CG of residue 1
Atom O of residue 1
P3924
P2025
Atom C of residue 1
PairScore 9
P7567
P8031
Model 397
phys
P3872
P3869
P3863
MovedSingletonContainer6
P4437
Atom CE2 of residue 4
P3166
P6863
ClosePairContainer
P4644
P11351
SingletonScore 13
UnaryFunction21
DihedralSingletonScore6
P8251
P2147
AngleSingletonScore6
P6102
UnaryFunction20
SingletonScore 12
UnaryFunction19
P8560
P8557
P8556
P8553
P8552
P8551
P8548
P8547
P8546
P8545
P8544
P8539
P8941
P1719
P8538
P6328
P2587
P8537
P8535
P8534
P4487
P5377
P8531
P8529
P8527
P8524
P8523
P8521
P8520
P8519
P0
P8518
P8516
P8515
P8514
P8513
P8510
P8509
P8507
P249
P8506
P6293
P2554
P8505
P8503
Atom C of residue 74
P1683
P8502
P5344
P2398
P2548
P5342
P8499
P8495
P5337
P8494
P8493
P8492
Atom C of residue 73
P8489
P8487
P8485
P8483
P8480
P8474
P8473
P11130
P8472
P4423
P8471
P4421
P2794
P8470
P2793
P8469
P232
P8468
P8467
P8466
Atom H of residue 72
P8465
P2789
P8464
P8463
P11118
P8460
P8459
P8458
Atom O of residue 72
P8456
P8455
P8454
P8453
P11109
P8452
P8451
P8447
P8446
P11095
P8439
P8437
P8436
P8434
P2333
P4382
Atom HD12 of residue 13
P8433
P8432
P8430
P8429
Atom HG13 of residue 70
P2753
Atom HG1 of residue 9
P8428
P4375
P8426
P8425
P8422
P8418
P8417
P8416
P4363
Model 135
P8415
P8410
P5246
P2733
P8408
P2732
P5759
Atom HG of residue 8
P5239
P8407
P8404
P8403
P8402
P1583
P8400
P8399
P8396
P8395
P8394
P8393
P2717
P8392
P2716
P8391
P2721
P8211
P11042
P2714
P8389
Atom H of residue 68
P8386
P8385
P8205
P8383
P8380
Atom O of residue 68
P8194
P8379
P8192
P8378
P4323
P8377
Atom HD21 of residue 67
P2698
P8372
P8371
P187
P8368
P8367
P4312
P8366
P8365
P7475
Atom HB2 of residue 6
P8361
P6137
P1543
P8360
P8358
P8357
P8356
P8355
P8353
P11001
P8350
P1962
P8349
P4293
P8348
P4291
P8347
P10994
P8343
P8727
P4733
P1519
P5170
P5168
P10981
P8331
P170
P8330
P8328
P2653
P8327
P10975
P8325
P8133
P8322
P8140
P8321
P2647
P5148
P8320
P5661
P8314
P5657
P8310
P8309
P8308
P8307
P4245
Atom CD of residue 63
P8303
P157
P8301
P8299
P5099
Atom N of residue 67
P8296
P8293
P154
P8292
P8290
P1475
P8289
P2110
P8287
P4230
P8286
P8471
P4228
P8285
P8284
P8283
P1469
P8282
P8281
P8280
P8278
P2606
P8277
P8275
P8274
P8271
P8267
P8266
P2756
P8265
P8261
P8260
P5560
P8259
P11376
P8258
P8252
P5541
P4657
P2160
P8248
P8247
P2158
P8245
P8244
P4651
P8242
P2745
P2742
P2152
P1362
P8240
P2150
P8238
P1359
P8237
P8236
P3535
P8234
P4283
P8218
P7830
P8215
P7829
Atom HA of residue 54
P1683
P8214
P7820
P2068
P8205
Atom OE1 of residue 16
P7819
P8204
Atom HD3 of residue 19
Atom N of residue 54
P8200
P7813
P1
P8198
P7818
Atom C of residue 54
P7812
P2065
P8197
P7811
P8196
P7810
P8195
P7809
P8194
P7808
P8193
Atom HD21 of residue 15
P7807
P8192
P7806
P8191
P8199
P1669
P7805
P8190
P7804
P8189
P7803
P8188
P7801
Atom OD2 of residue 52
P8186
P7799
P1655
P8184
P8183
P8182
P7796
ClosePairContainer
P8181
P7795
P8180
P7794
P8179
P7792
P8177
P7791
P8176
P7790
P8175
P7789
P8174
P7788
P8173
P7787
P8172
P7786
P8171
P7785
P8170
P7784
P1641
P8169
P7783
P8168
P7782
P8167
P7781
P8166
P7780
P8165
P7779
P8164
P7778
P8163
P7776
P8161
P7775
P8160
P7774
P8159
P7773
P8158
P7772
P2034
P8157
P7771
Atom C of residue 12
P8156
P7770
P8155
P7769
P1627
P8154
P7768
P8153
P7767
P8152
P7766
P8151
P7765
P8150
P7764
P8149
P7763
P8148
P7762
Atom CD2 of residue 50
P8147
Atom CD1 of residue 44
P7761
AngleSingletonScore3
P8146
P7760
P8145
P7759
P8144
P7758
P8143
P7756
P8141
P8140
Atom CG of residue 50
P8139
Model 404
P7751
Atom CA of residue 8
P8136
P7750
Atom HG3 of residue 49
P8135
P7748
P8133
P7747
Atom HG23 of residue 7
P8132
P7754
P1613
P7745
P8130
P7744
P8129
P8126
P8125
Atom CB of residue 49
P1599
P8124
P8123
Atom CG2 of residue 7
P8122
P8121
P8119
P8117
P8112
P1585
Atom C of residue 7
P8109
P8108
P5107
P8107
P5106
P8106
P8105
P2109
P8110
Atom HG3 of residue 48
Atom HG2 of residue 6
P8104
P8103
P8102
P8086
P7708
P1570
P8084
P8083
P7142
P4158
P5026
P8026
P8024
P0
P1903
P8023
P8022
P8021
P7977
P7976
P2701
Atom HD3 of residue 6
P3132
P7971
P7970
P7962
P1846
P7968
Atom HA of residue 41
P7967
P7966
P7964
P1457
P1977
P7963
P7961
P1709
Atom CA of residue 12
P7960
P7959
P7958
P1443
P7957
P7956
P7953
P7952
P7951
Atom OE1 of residue 40
P7950
P7949
P1963
P7948
P7947
P7946
P4945
P7945
P4944
P7944
P7943
P1429
P7942
P7941
Atom CG2 of residue 3
P7940
P7938
P7937
Atom OD2 of residue 39
P7936
P7935
P7934
P1953
P1949
P7933
P7931
P7930
P8151
P7051
P7926
P7925
P7917
UnaryFunction26
P7923
P7872
P6450
P1860
P7841
P3440
P7831
P3439
P7830
Atom CG of residue 33
P3438
P7829
P7825
P1897
P7823
P7821
P7820
P7819
P7818
P7816
P1827
P7815
Atom CB of residue 32
P7814
P7812
P7811
P1883
P7808
P7807
P7806
P7805
P7803
P1814
P7801
P7800
P7799
P7798
P7797
P1835
P7780
P7777
P7776
P7774
P6895
P7773
P7387
P4772
P7772
P7348
P3888
P7768
P7347
P3887
P7767
P7346
P3886
P7766
P7343
P3883
P7763
P1840
P7756
P3882
P1312
P7762
P6178
P3881
P7761
P3880
Atom HE2 of residue 29
P7760
P3879
P7759
P7764
Atom HZ3 of residue 29
P3878
P7758
P3877
P7757
P3876
P3875
Atom HD11 of residue 15
P7755
P3874
P7754
P3873
Atom HB2 of residue 29
P7753
P3872
P7752
P1441
P3871
Atom H of residue 29
P7751
P1440
P1833
P3870
Atom C of residue 31
P7750
P1439
P3869
P7749
P1438
P3868
P7748
P1826
P3867
P7747
P7746
P3865
P7745
P3864
P7744
Atom CA of residue 29
P7742
P7741
P3860
P7740
P7739
P7738
P7737
P7736
P7735
P7734
P7733
P7732
P7731
P7730
P3849
P7729
P7343
P4728
P7728
P7342
P4727
P7727
P7341
P4726
P7726
P2106
P7340
P4725
P7725
P7339
P4724
P7724
P7332
P4717
P7717
Atom CB of residue 1
P7338
P4723
P7723
P7336
P4721
P7721
P7335
P4720
P7720
P7334
P4719
P7719
P7333
P4718
Atom HB2 of residue 42
P7718
P7331
P4716
P7716
P7330
P4715
P7715
P7329
P4714
P7714
P7328
Atom NZ of residue 27
P4713
P7713
P7712
P7326
P4711
P7711
P7323
P4708
P7708
P7321
P4706
P7706
P7320
Atom H of residue 61
P4705
P7705
P7319
P4704
P7704
P7318
P4703
P7703
P7317
P4702
P7702
P7316
P4701
P7701
P6299
Atom CA of residue 52
P7315
P4700
P7700
P7699
P7697
P7696
P7695
P6805
P4341
P2077
P7694
P7693
P7692
P7691
P7689
P7688
P7686
Atom HB3 of residue 25
P7682
P7672
P7671
P2008
P7669
Atom HG3 of residue 24
P7668
P7667
P7666
P7665
P7663
P7662
P7661
P2818
Atom HA of residue 24
P7658
P7596
P7595
P7551
P7165
Covariance1DFunction 94
P7550
P4549
P7549
P7548
P7547
P7546
Atom H of residue 14
P7544
P7542
P7540
P7539
P7538
P7537
P7536
P6646
P1934
P3
P7535
P6648
Atom HB of residue 23
P7534
P7533
P7532
P7531
P6643
Atom CG1 of residue 13
P7529
P7528
P7527
P7526
P7524
P7522
P7521
P6631
P1920
P7520
P7518
P7517
P7516
P7515
P7514
P7513
P7512
P7511
P7504
P2072
P7510
P7509
P7508
P7507
P7506
P6616
P1906
P7505
P7503
P7502
P7501
Atom NE of residue 54
P2062
P7499
Atom HE21 of residue 2
P2060
P7497
P7496
P7495
P7494
P7493
P7492
P7491
Atom CA of residue 16
P7490
P7483
Atom HH11 of residue 74
P7489
P7488
P7486
P7484
P7482
P7481
P3594
P1819
P7479
P7472
Atom NH2 of residue 74
P7478
P7476
P7475
P7474
P7473
P7
P7471
P7470
P7469
P7468
P7467
P7466
P7465
P7464
P7078
P7463
Atom HG12 of residue 5
P7462
P2620
P7460
P2619
P7459
P2618
P7458
P2617
P7457
P2616
P7456
P2615
P7455
P2614
P1975
P7448
Atom H of residue 73
P7454
P7452
P7451
P7450
P7449
Atom HD21 of residue 8
Atom HD13 of residue 8
P7447
P7446
P7445
P7443
P7442
P7441
P7440
P7439
P7438
Atom CD2 of residue 8
P7437
P7436
P7428
Atom CG2 of residue 12
Atom C of residue 17
P7434
P7432
P7429
P7427
P7425
P7424
P7423
P7422
P7421
P2103
P7420
P7419
P7417
P7416
P7415
P7414
P1309
P1
Atom CA of residue 12
P7412
P7411
P7410
P1980
P7409
P7408
P7405
P4404
P3012
P7404
P7403
Atom NH2 of residue 74
P7402
P7401
P7400
P7398
P7397
P7395
P7391
P7389
P7388
P1953
P7387
P7386
P7384
P7383
P7382
P7381
P7378
P7377
P7376
P7375
P8350
P7374
P7360
P7359
P1943
P7358
P1925
P7357
P7355
P7354
P7353
P6974
P8490
P7566
Atom CA of residue 59
P7352
P1944
P8489
P1937
P7351
P7344
P7343
P7342
P7340
P4318
P2926
P7318
P4317
P2925
P7
P7317
P4314
P2922
P7314
P6899
P6434
P4313
P2921
P7313
P2920
P4312
P7312
P2919
P4311
P7311
P4310
P2918
P1881
P7310
P4308
P2916
P7308
P4306
P2914
P7306
Atom HA2 of residue 47
P4305
P2913
P7305
P4303
P2911
P7303
P4302
P2910
P7302
P2908
P4300
P7300
P3936
Atom NH2 of residue 42
P4298
P2906
P7298
Model 109
P3935
Atom N of residue 1
P4297
P2905
P7297
P4296
P2904
P7296
P4295
P1867
P2903
P7295
P4294
P2902
P7294
P4293
P2901
P7293
P2900
P4292
P7292
P2899
P4291
P7291
P4290
P2898
P7290
P7289
P7288
P7287
P8326
P7260
Atom HD2 of residue 29
P7259
P7258
P6869
Atom HB2 of residue 29
P8314
P7247
P2112
P7246
P7245
P6789
Atom HE2 of residue 4
P3328
P7209
P6788
P3327
P7208
P7184
P2041
P7164
P7
P7163
P7162
P7161
P7160
P7159
ASN
P7158
P7157
P7154
P7136
P7134
P2012
P7133
P7132
P7131
P7130
P7129
P7128
P7127
P7126
P7123
P7122
P7121
P2092
P7119
P1998
P7118
P5729
P7117
P7125
P7116
P7115
P7112
P7111
P7108
P7107
P7106
P7105
P2078
P7104
P1984
P7103
P7101
P7100
P7099
P7098
P7097
P7096
P2703
P7095
P4082
P7094
P4081
P7093
P7090
P2064
P7089
P1970
P7088
P7087
P7086
P7085
P7084
P7083
P7082
P7081
P5
P7080
P7077
P7076
P7074
P1956
P7073
P7072
P7071
P7069
P7068
P7067
P7066
P7065
P8554
P7062
P7061
P7059
P1942
P7058
P7056
P7054
P7053
P7052
P7051
P7050
P7048
P7047
P4029
P7041
P6650
P7036
P6648
P7034
P6646
P7032
P6645
P7031
P6644
P7030
P6643
P7029
P6641
P1913
P7027
P6640
P7026
P6637
P8518
P7023
P6642
P7028
ListSingletonContainer585
P6636
P7022
P6635
P7021
P6634
P7020
P6633
P7019
P6631
P7017
P6630
P7016
P6629
P7015
P6628
P7014
P6627
P7013
P6626
P1899
P7012
P6625
P7011
P6624
P7010
P5628
P8510
P6622
P7008
P6619
P8500
P7005
P6618
P7004
P6616
P7002
P6615
P7001
P6614
P7000
P6613
P6999
P6612
P6998
P6994
P6992
P6991
P6990
P8292
P6989
P6988
P6986
P8295
P1
P6985
P6984
P6983
P6982
P6980
P6979
P6977
P6976
P6975
P6974
P6973
P6971
P8273
P6970
P8272
P6968
P6967
P1856
P6966
P5585
P8276
P6965
P6964
P6962
P6961
P6959
P6958
P1946
P6957
P2563
P6956
P2561
P6954
P5571
P1849
P8264
P2558
P6951
P2557
P6950
P6947
P1823
P6943
P6941
P6939
P6938
P6937
P8354
P6936
P3054
P8353
P6935
P6934
P6918
P6916
P6891
P6890
P6835
P6834
P6782
Atom HB2 of residue 21
P3734
P6746
P3733
P6745
Atom H of residue 21
P3732
P6744
P3731
P6743
P3730
P6742
P8522
P3729
P6741
P2379
P3728
P6740
P8398
P3723
P6735
P3722
P6734
P5854
P3721
P6733
PHE
P3720
P6732
P6682
P6266
P5801
P6680
P6678
P6672
P6671
Atom O of residue 31
P6670
P6669
P6282
P6668
P6667
P6666
P2311
P6665
P6664
P6661
P6659
P6658
P6656
P6655
P6654
P6653
P2306
P6652
P8464
P6650
P6641
Atom CG2 of residue 5
P6647
P6644
P6642
P6640
Atom C of residue 2
P6638
P6636
P6635
P6634
P6605
P6604
P6602
P8314
P6600
Atom HG2 of residue 2
P6597
P6595
P8307
P6593
Atom O of residue 42
P6592
P6591
P2243
P6590
P6589
P6588
P6587
P6586
P6585
P6583
P6581
Atom HA of residue 38
P6580
P6579
P3564
P6576
P2215
P6552
P6505
P6504
P8432
P6503
P3490
P8431
P6502
P2619
P6501
P3488
P6500
P3486
P6498
P2615
Atom CD of residue 64
P6497
P2161
P6492
P2159
P6490
P6486
P6485
P8413
P6484
P8412
P6482
P6481
P6480
P6479
P5599
P6478
P6475
P6474
P6472
P6471
P6470
P6469
P6468
P2135
P6467
P2543
P6466
P8403
P2133
P6465
P6464
P6463
P6460
P6459
Atom HZ3 of residue 11
P6457
P6456
P6455
P6453
P6451
P1820
P6449
P6447
P6446
P2524
P6445
P6444
P6443
P6442
P6441
P2520
LEU
P6440
P6439
P6438
P6437
P6436
P6434
P6427
P2509
Model 401
P2506
P6425
P6424
P1796
P1789
P6423
P6421
P6420
Atom H of residue 5
P6419
P6418
P6417
P6414
P6412
P6411
P6410
P6409
P6403
P6402
P8349
P6399
P6398
P6396
P6395
Atom HG3 of residue 18
P2478
P6394
P1768
P1761
P6393
P6392
P2475
P6391
P6389
P6387
P3
P6386
P6384
Atom CB of residue 18
P6383
P6382
P6380
P6379
P2470
P1754
P1747
P6378
P6377
Atom HG22 of residue 17
P6376
P6375
P6360
P6317
P2414
P1696
GeneralizedGuinierPorodFunction 26
P6315
Atom O of residue 76
P6314
P6312
P6311
P6310
P6309
P6308
P6306
P6305
P6303
Atom O of residue 24
P6302
P1682
P8445
P1675
P6301
P6300
P6298
Atom HB2 of residue 28
P2390
P6297
P6296
Atom HB3 of residue 28
Atom O of residue 14
P6295
P2387
P6294
P6292
P6291
P6289
P6288
P6287
P1668
P1661
P6286
P6285
P6284
P6283
P6282
P6280
P6279
P4891
P6278
P6277
P6276
P6274
P6273
P1654
P1647
P6271
P6270
P6269
P6268
P6267
P6266
P6264
P6263
P2358
P6262
P8409
Atom CE2 of residue 4
P6261
P6260
P177
P8408
P6259
P6258
P6257
P6256
P6255
P6254
P6253
P6252
P6251
P6250
P6249
P6248
P6247
P6245
P2342
P6244
P6242
P1626
P8391
P6239
P6238
P6224
P2322
P6222
P2319
P6219
P6217
Atom OE1 of residue 24
P6216
P6215
P6214
P6213
P6211
P1597
P8461
P1590
P6210
P6208
P6207
P6205
P6204
P6203
P4811
P6198
P157
P8344
P4810
P6197
P4809
P6196
P6186
P6185
P6184
P6183
P6182
P6181
P6155
P6153
P6152
P6151
P6150
P1540
P6148
P2254
P6147
P6145
P6144
P6142
Atom CB of residue 20
P5261
P6139
P6138
P6137
P6136
P8282
Atom NZ of residue 33
P6135
P6132
P6131
P6130
P6128
P6127
P3113
P6126
P3112
P6125
P6124
P6123
Atom H of residue 32
P6121
P6120
LYS
P1512
P1505
P6119
P6118
P6117
P2225
P6115
P6114
P6113
P2222
P6112
P6110
Atom HE21 of residue 31
P6109
P6107
P6106
P6105
P6103
P6102
P6101
P6100
P6099
P6098
P6097
P6096
GaussianProcessInterpolation59
Atom CB of residue 13
P6095
P6094
P5214
P6092
P5213
P6091
P1484
P5211
P6088
P6087
P8198
P5208
P6086
P6085
P6084
P6082
P6081
P2193
P6080
P8190
P5200
P6078
P8189
P5199
P6077
P8188
P5198
P6076
P8187
P5197
P6075
P8184
P5194
P6072
P5657
P8183
P5193
P6071
P6070
P8180
P5190
P6068
P6067
P8178
P5188
Model 415
P6066
P6065
P4486
P8559
P3051
P6064
P5675
P6062
P5674
P6061
P5673
P6060
P5672
P6059
P5670
P6057
P5668
P6055
P5667
P6054
P5666
P6053
P5665
P6052
P5664
P6051
P5663
P0
P6050
P8545
P1427
Atom C of residue 54
P5662
P6049
P8544
P5660
P6047
Atom N of residue 54
P5659
P6046
P5658
P6045
P5657
P6044
P1441
P5655
P6042
P8538
P5654
P6041
P5648
P6035
P5647
P6034
P5646
P6033
P5645
P6032
P5644
P6031
P5643
P6030
P8135
P5145
P8527
P5642
P6029
P5639
P6026
P5637
Atom N of residue 53
P6024
P5636
P6023
P8134
P5144
P5635
P6022
P5634
P6021
P5633
P6020
P5632
Atom CB of residue 2
P6019
P5630
P6017
P5629
P6016
P5628
P6015
P1413
P5625
P6012
P5624
P6011
P5623
P6010
P8121
P5131
P5622
P6009
P8120
P5130
Atom HE1 of residue 4
P5621
P2128
P6008
P5620
Atom O of residue 11
P6007
P5619
P6006
P24
P8116
P5126
P5617
P6004
ListSingletonContainer141
P8114
P5124
P5615
P6002
P5614
P6001
P5613
P6000
P1399
P8109
P5119
P5610
P5997
P5609
P5996
P5607
P5994
P5606
P5993
P5605
P5992
P5604
P1531
P5991
P5603
P5990
P5602
P5989
P5600
P5987
P5599
P5986
P1385
P5595
P5982
P5594
P5981
P5593
P5980
P5592
P5979
P5591
P5978
P5590
P5977
P5976
P5095
P5973
P5092
P5086
P8239
P5970
P5555
P5091
P5969
P5090
P5968
P5089
P5967
P5088
P5966
P5085
P5963
P5084
P5962
P5083
P5961
P5082
P1502
P5960
P5081
P5959
P5078
P5956
P5077
P5955
P5076
P5954
P5075
P5953
UnaryFunction23
P5074
P5952
P5073
P5951
Atom CE of residue 48
P4571
P1352
P5072
P1345
P5950
P5071
P5949
P5070
P5069
P5947
ListSingletonContainer155
P5068
P5946
ListSingletonContainer36
P5067
P1488
P5945
P5065
P5943
P5063
P5941
P5062
P5940
P5061
P5939
P5060
P5938
P5059
P5937
P4557
P1340
P5058
P1961
P5057
P5935
P5056
P5934
P5933
P1336
Atom H of residue 2
P5932
P5931
P5052
P5046
P2520
P1474
P5930
P5051
P5929
P5050
Atom OG1 of residue 14
P5928
P5047
P5925
GLY
P5924
P5035
P1855
P5922
P5043
P5921
P0
P5042
P5920
P5041
P5919
P5040
P5918
P5038
P5916
P5037
P1460
P5915
DihedralSingletonScore5
P5036
P5914
P5913
P5911
P5910
P5909
P5908
P5907
P5904
P5903
P8014
P5024
P5902
P8013
P5023
P5901
P1446
P5900
P5899
P5898
P1442
P5896
P5895
P5894
P5893
P5892
P8003
P5013
Atom C of residue 7
P5891
P8002
P5012
P5890
P5889
P5888
P5887
P7989
P4999
Atom HG of residue 20
Atom C of residue 23
P5886
P7997
P5007
P1432
P5885
P7996
P5006
P5884
P7995
P5005
P5883
P7993
P5003
P5881
P5879
P5877
P7988
P4998
Atom CD of residue 96
P5876
P7987
P4997
P5875
P7986
P2475
P4996
P5874
P7985
P4995
P5873
P7984
P4994
GaussianProcessInterpolation56
P5872
P7983
P4993
P5871
P7982
P4992
P1418
P5870
P7981
P4991
P5869
P7980
P4990
P5868
P7978
P4988
P5866
P7977
P4987
P5865
P7976
P4986
Atom CA of residue 95
P5864
P7975
P4985
P5863
P7974
P4984
P5862
P4983
Atom SG of residue 94
P5861
P4982
P5860
P4981
P5859
P7969
P4979
Atom HZ3 of residue 48
P5857
P7968
P4978
P5856
P5855
P5850
P5849
P5429
Atom HA of residue 14
P5848
P4974
P7964
P5847
P5845
P5842
P5841
P5840
P5839
P5447
P5834
P5830
P5829
P2362
P5828
Atom CB of residue 4
P5827
P5826
P5333
P2359
P5825
Atom HE2 of residue 45
P5823
Atom HG2 of residue 2
P5819
P5818
Atom O of residue 105
P5817
P5816
P5815
P5813
P5812
P5810
P5805
P5804
P5803
P5414
P5801
P5776
P5757
P5756
P5755
P5754
P5741
P1843
Atom CG of residue 1
P5753
P5752
P5751
P5750
P5748
P5747
P1817
P5746
Atom CB of residue 114
P5745
P5744
Atom HG22 of residue 14
P5742
P2283
P5740
Atom HB of residue 13
P5739
P5737
P5736
P5735
Atom HG3 of residue 49
P5732
P1803
P5731
P5730
P5726
P5725
Atom N of residue 1
P5724
P5723
Atom CB of residue 5
P5722
Atom CG2 of residue 22
P5721
P5720
P2263
P5719
P5718
P5717
P2260
P5716
P5714
P5711
P5710
P5709
P5707
P5705
P5704
P5702
P5701
P1774
P5700
P2244
P5698
P5696
P5695
P5693
P5692
P5691
P5688
P7728
GaussianProcessInterpolation52
P5687
P5202
P7727
P5686
P1760
P5685
P7725
P5684
P7724
P5683
P7722
P5681
P8411
P7721
P5680
P7720
P5679
P7719
P5678
P7718
P5677
P7717
P5676
P7716
P5675
P7714
P5673
P5671
P7711
P1746
P5670
P7710
Atom CA of residue 74
P5669
P5668
P2215
P5666
P5665
P5664
Atom H of residue 47
P5662
P5656
P1732
Atom H of residue 73
P5655
P5654
P5647
P5644
P2187
P5634
P5632
P5631
P5630
P5629
Atom CZ of residue 72
P5628
P5627
P2175
Atom HD3 of residue 29
P5625
P5624
P1702
P5623
P5621
P2172
P5619
P5617
P1313
P5616
P5615
Atom CB of residue 22
P5614
P4663
P7653
P5612
P4662
P8345
P7652
P5611
P5610
P5609
P5607
P5606
P5602
P8329
Atom N of residue 3
P2156
P5601
P2153
LEU
P5598
P5597
P5554
Atom HD1 of residue 68
P5553
P5551
Atom HA of residue 68
P5550
P5549
Atom NE2 of residue 68
P5548
P5547
P5545
P5542
P2114
P5541
P5540
P5539
P5538
P5537
Atom HD23 of residue 67
P5536
P5534
P5532
P1616
P5531
P5530
P8018
P1777
P5529
P5527
P1978
P5525
P5522
P5521
P5520
P5519
P5518
P1309
P5517
P1602
P5516
P5515
P5514
P5512
P5511
P5510
P4119
P5509
P5508
P5507
P5493
P4095
Atom CG of residue 27
P5505
P5504
P5503
P2543
P4551
P5502
P5488
P4090
LYS
P1587
P5500
P5499
Atom HD2 of residue 63
P5461
P5460
P5458
P5457
Atom HA of residue 63
P5456
P5455
P5453
P5450
P5449
P5446
P5443
P5439
P1691
P5437
P5436
Multivariate Normal distribution 14
GLN
P5435
P5043
Atom CG of residue 1
P5434
Atom OE1 of residue 62
P5433
P1959
P5041
P5429
Covariance1DFunction 62
P5428
P5039
P5427
P5038
P5426
P5036
P5424
P5035
P5423
Atom HB2 of residue 4
P5034
P5422
P5033
P5421
P1675
P5032
P5420
P5031
Atom HG22 of residue 61
P5419
P1948
P5417
P5391
P5387
Atom HE21 of residue 2
P5386
P5385
P5384
P5383
Atom HG22 of residue 17
P5382
Atom HH of residue 59
P5381
Atom CG1 of residue 3
P5380
P5378
P5377
P3
P5375
P1632
P5374
P5373
P5372
P5371
Atom CZ of residue 59
P5370
P5369
P5368
P5367
P5364
P5363
P5362
P5361
Atom CA of residue 59
P5360
P5359
P7391
P3695
P1617
Atom HD12 of residue 3
P5358
P5357
P5356
P5355
P5353
P5352
P5350
Atom HD2 of residue 37
P5349
Atom HA of residue 37
P5348
Atom CA of residue 58
P5346
P5344
P3680
P7376
P1603
P5343
P5341
P5340
P5339
Atom C of residue 37
P5338
P3931
Atom HG22 of residue 36
P5334
P5332
P5331
P5330
P1319
P5329
P5328
P5327
P1587
P5326
P5325
Atom CG2 of residue 13
P5323
P5322
ILE
P5319
P5317
P5316
P5303
Atom CA of residue 64
P5315
P5314
P5313
P5311
P5459
P5308
P5305
P5304
P5300
Atom HZ1 of residue 63
P5298
Model 330
P5296
Atom CA of residue 34
P5294
P5292
P5291
P5290
Atom HZ1 of residue 33
P5289
P5288
P5287
P5286
Atom CG1 of residue 3
P5285
P5283
P5282
P5279
P5278
P5277
Atom CZ of residue 54
P5276
P5275
P5274
P5273
P5272
P5271
P5269
P5268
P5266
P7750
P1530
P5265
P5264
P5263
P5260
Atom N of residue 53
P5258
P5257
P5256
P5255
P5254
P5253
P5252
P5251
P5250
P1515
P5249
P5248
Atom C of residue 52
P5247
P5246
P5245
P5243
P5242
P5241
P5240
P5239
P5238
P5236
Atom CG2 of residue 9
P5235
P5234
P1500
P5233
Atom CB of residue 51
P5232
P5229
P5228
P5227
Atom HD22 of residue 50
P5225
P1363
P5224
Model 322
P5223
P5222
P5220
P1348
P5219
P5217
P5215
P5212
Atom HG3 of residue 49
P5202
P5148
Atom C of residue 45
P5120
P5117
P5108
Atom CB of residue 70
P5045
P4
P5044
P5001
P5000
P4944
Atom HB3 of residue 74
P4892
P4890
P4889
P4888
P4886
Atom OE1 of residue 62
P4885
P4884
Atom HD11 of residue 61
P4882
P4881
P4879
P4877
P4876
P4875
P4873
Atom HD12 of residue 73
P4870
P4867
P6909
P4866
P4863
P6905
P4099
P4862
P6904
P4098
P4861
P6902
Atom CD1 of residue 73
P4859
P6901
P4858
P6900
P4857
P6899
P4856
P0
P6898
P4855
P6897
P4854
P6895
P4852
P6894
P4851
Atom HB2 of residue 21
P4849
Linear1DFunction 36
P3888
P4848
P4847
P3858
Atom C of residue 6
P4836
P2110
Atom CG of residue 58
P4811
P4810
P4809
P4807
P4804
P3841
P4803
Atom HH21 of residue 72
P4604
P4603
P4110
Atom NZ of residue 6
P4602
P4598
P4597
P4596
P4595
P4594
Atom HG12 of residue 70
Atom HG13 of residue 5
P4590
P4589
P4587
P4586
P4585
P4584
Atom C of residue 72
P4582
P4578
P4577
P4576
P2043
P4575
P4574
P4573
P4572
P4571
P4570
Atom HB3 of residue 72
P4569
P4567
P4565
P4563
P4561
P2029
P4560
P4557
P4556
P4555
P7556
P4552
P4551
P2018
P4548
P7549
P7547
P7541
P4543
P7029
P4683
P4532
P4531
P7025
P4679
P4528
P7023
P4677
P4526
P7022
P4676
P4525
P7020
P4674
P7011
P4665
Atom HA of residue 70
P4523
P7018
P4672
P1992
P4521
P7017
P4671
P4520
P7016
P4670
P4519
P7015
P4669
P4518
P7014
P4668
P4517
P7013
P4667
P4516
P7012
P4666
P4515
P4514
P7010
P4664
P4513
P7008
P4662
P6999
P4653
P1314
P4511
P7007
P4661
Atom H of residue 68
P4510
P7006
P4660
P4509
P7005
P4659
P4508
P7004
P4658
P4507
P7002
P4656
P4505
P7001
P4655
P4504
P7000
P2547
P4654
P4503
P4502
P6998
P4652
P4501
P4650
P4499
P4649
P4498
P4647
P4496
P4646
P4495
P4645
P4494
P4644
P4493
P4643
P4091
P4492
P4641
P4490
P4640
P4489
P4639
P4087
P4488
P4638
P4487
P4635
P4484
P4634
P4483
P4632
P4481
P4631
P4480
P4629
P4478
Atom HB2 of residue 68
P4628
P4477
Atom NH2 of residue 54
P4627
P1950
P4476
P4626
P4617
Atom C of residue 68
P4475
P4625
P4474
P4624
P4473
P4621
P4470
P4620
P4469
P4619
P4468
P4466
P4616
P4465
P4615
P7462
P4464
Atom N of residue 68
P4614
P4463
P4613
Atom CA of residue 66
P4462
Atom H of residue 53
P4612
P1936
P4461
P4611
P4460
P4610
P4459
P4457
P4607
P4456
P4455
P4605
P4454
P4453
P1948
P4602
P4451
P4601
P4450
P4600
P4449
P4599
P4448
Atom CB of residue 52
P4598
P4589
Atom HG21 of residue 66
P4447
P4597
P1922
P4446
P4595
P4444
P4592
Atom H of residue 64
P4441
P4591
P4440
P4590
P4439
P4438
Atom HB of residue 66
P4587
P4436
P4586
P4435
P4585
P4434
P4584
P4575
Atom HG of residue 65
P4433
P4582
P1908
P4431
P4581
P4430
P4580
Atom HZ3 of residue 63
P4429
P4579
P4428
P4578
P4427
P4577
P4426
P4576
Atom HE2 of residue 63
P4425
P4424
P4574
P4423
P4572
P4421
P4571
P4420
Atom HD12 of residue 50
P6916
P4570
P4561
Atom HG2 of residue 64
P4419
P4569
Atom HB2 of residue 63
P4418
P4567
Atom H of residue 63
P1894
P4416
P4566
P4415
P4565
P4414
P4563
P4412
P4562
P4411
P4410
Atom CB of residue 50
P4559
Atom O of residue 64
P0
P4408
P4557
P4406
P4403
P4402
P1880
P4401
P4400
P4399
P4398
P4397
Atom NE2 of residue 62
P4395
P4393
P4390
Atom NE2 of residue 2
P13215
P4389
P4388
P4387
P1866
P4386
P4385
P6423
Atom O of residue 63
P4383
P6422
Atom O of residue 17
P4382
P4381
P6419
P4379
P6418
P3
P4378
P6417
P4377
P6416
P4376
P6414
P4374
P6413
P4373
P6411
P1852
P4371
P6410
P4370
P6408
P4368
P6406
P4366
P6405
P4365
P6404
P4364
P6403
P1306
P4363
P6402
P1826
P4362
P6399
P4359
P4358
P6397
P4357
Atom O of residue 68
P6396
P4356
P6395
P4355
P6394
P4354
P6392
P4352
P20
Atom N of residue 47
P6391
P4351
P6390
P4350
P6389
Atom CG of residue 60
P4349
ListSingletonContainer452
P6388
P1813
P4348
P6387
P4347
P6386
P4346
P6385
P4345
P4344
P6383
P4343
P6381
P7339
P4341
P6380
P7338
P4340
P6378
P7336
P4338
P7335
P4337
Atom HB2 of residue 59
P7333
P4335
P7332
P4334
P13307
P4339
P7337
P7331
P4333
P7330
P4332
P4336
P7334
P7328
P4330
P7327
P4329
P7326
P4328
P7325
P4327
P7324
P4326
Atom CB of residue 59
P7322
P4324
P7321
P4323
P7320
P4322
P7318
P4320
P7316
P4318
P7315
P4317
P7314
P4316
P4321
P7319
P7313
P4315
P1842
P7312
P4314
P4319
P7841
P7317
P7311
P4313
Atom HD1 of residue 59
P7309
P4311
Atom CB of residue 58
P7308
P4310
P7307
P4309
P7306
P4308
P7305
P4307
P7302
P4304
P7301
P4303
P7299
P4301
P4306
P7825
P7304
P1829
P7298
P4300
P4305
P7303
P7297
P4299
Atom HD12 of residue 71
P7296
P4298
P7295
P4297
P4302
P7300
Atom O of residue 57
P7294
P4296
P7293
P4295
SER
P7291
P4293
P7290
P4292
P4291
CHARMMStereochemistryRestraint0
P4290
P4289
P4294
P7292
P4288
SingletonScore 0
P4287
P4286
P4285
P13382
P4284
P4283
P4281
P4279
P4276
P0
P4275
P4274
P4273
Atom OG of residue 57
P4272
P4271
Atom C of residue 14
P4270
P4269
P4264
P4263
P4262
P4261
Atom HG of residue 56
Atom C of residue 35
P4258
Atom C of residue 55
P4257
P4256
Atom N of residue 35
P4255
Atom N of residue 55
P4254
P4253
P4251
P4250
P4249
P4248
Atom C of residue 56
P4247
P4245
Atom HB3 of residue 54
P4243
P4235
P4234
Atom CB of residue 55
P4233
P1965
P4231
P4227
P7736
P4217
P7735
P4216
P7734
P4215
P7732
P4213
P7731
P4212
P4211
P4210
P4209
P4208
P13027
P4206
P13026
P4205
P13025
P4204
P13024
P4203
P13023
P4202
P13118
P13022
P4201
P13021
P4200
P13020
Atom HA of residue 51
P4199
P13018
P4197
P13017
P4196
P13016
P4195
Atom CA of residue 53
P13015
P4194
P13013
P4192
P13011
Atom HB3 of residue 41
P4190
P13010
P4189
Atom H of residue 13
P13009
P4188
P13008
P7185
P4187
P13006
P4185
P13005
P4184
P13101
P13004
P4183
P13003
P4182
P12960
Atom HD3 of residue 48
P4139
P4120
P4119
P4118
Atom HZ2 of residue 48
P4117
P7987
Atom N of residue 49
P4116
P4115
P4114
P6156
P4112
Atom HA of residue 17
P6155
P4111
P4108
P4105
P4103
Atom CA of residue 2
P4102
P4101
bonded
Model 291
P4100
P7106
P3009
P4098
P4097
Atom HA of residue 48
P4095
Atom O of residue 46
P4093
P4092
P4091
Atom C of residue 1
ALA
P4090
P4089
P4087
Atom HE1 of residue 45
P4086
P4085
P4084
P13422
P4083
P7090
P4080
P7089
Atom H of residue 45
P4079
P7087
Atom CE2 of residue 45
Atom CG1 of residue 5
P4077
P6126
P7084
P4074
P4078
P7088
P7082
P4072
P4076
P7086
P7080
P4070
P192
Atom H of residue 46
P4075
P7085
P7079
P4069
P7078
P4068
P4065
Atom HD13 of residue 44
P7075
P7069
P4059
P4064
P7074
P13350
P7068
P4058
P4063
P7073
P7067
P4057
P4062
P7072
Atom H of residue 25
P7066
P4056
P4060
P7070
P7064
P4054
P7063
P4053
P7062
P4052
P7061
P4051
P7060
P4050
P4055
P7065
P7059
P4049
P13339
P7057
P4047
P7055
P4045
P8543
Atom O of residue 45
P7054
P4044
Atom HE1 of residue 4
P7053
P4043
P13341
P4048
P7058
P7052
P4042
P4046
P7056
P7050
P4040
P7048
P4038
P4041
P7051
P7045
P4035
P7044
P4034
P4039
P7049
P7043
P4033
P4032
P13323
P7039
P4029
P13321
P7038
P4028
P7037
P4027
P7036
P4026
P7035
P4025
P1328
P7034
P4024
P7032
P4022
P7030
P4020
P7028
P4018
P4023
P7033
P7027
P4017
P7026
P4016
P4021
P7031
P7025
Atom CA of residue 30
P4015
P13309
P7024
P4014
P6064
P7022
P4012
P7018
P4008
P4013
P7023
P7017
P4007
P7016
P4006
P4011
P7021
P7015
P4005
P4010
P7020
P7014
P4004
P4009
P7019
P7013
P4003
P7012
P4002
P7011
P4001
P7008
P3998
P7007
P3997
P4000
P7010
P7004
P3994
P3999
P7009
P7003
P3993
P7002
P3992
P7001
P3991
P3996
P7006
P7000
P3990
P3995
P7005
P6999
P3989
P6998
P3988
P6997
P3987
P3984
P7862
P6483
P1331
P3983
P3981
P3980
P3979
P3977
P3976
Atom HE21 of residue 40
P3974
P2565
Atom HD22 of residue 60
P3955
P3954
P2579
P3953
P3952
P1
P3950
Atom CG of residue 39
P3949
P3948
P3947
P3946
P3945
P3941
P3940
P3938
P3935
P3934
P3933
P3927
P3925
P8254
P3923
P3916
P3912
P3911
P3910
Atom HA of residue 38
P3909
P3908
Atom HD11 of residue 36
P3907
P6916
P3906
P3904
P3902
P3900
P3898
P3897
P3896
P3894
P3892
P13620
P3891
P3890
P3889
P3887
P3884
P3883
Atom CA of residue 35
P3882
P3881
P3879
P3878
Atom HB3 of residue 34
P3877
P3875
P13602
P3873
P3872
P13601
P3871
P3869
P3867
Atom H of residue 1
P3862
P3861
P3859
P5
P3857
P3856
P3855
P13585
P3854
Atom HG3 of residue 34
P3853
Atom HB3 of residue 33
P3852
P12683
P3850
P13579
P3848
P3846
P3845
P3844
P3843
P79
P5893
Atom C of residue 33
P3841
P113
P5892
P3840
P5890
Atom N of residue 33
P3838
P5888
P3836
P5886
Atom HB3 of residue 29
P3834
P5885
P3833
Atom CD of residue 19
P5884
P3832
P5883
P3831
P5882
P3830
P5881
P3829
P5879
Atom C of residue 32
P3827
P8344
Atom O of residue 12
P5878
P6836
P3826
P13515
Atom O of residue 44
P3781
Atom CA of residue 31
P3780
P3718
P3717
SingletonScore 23
P3716
P5760
Atom HZ2 of residue 27
P3715
P4085
Atom HG13 of residue 26
P3714
Atom HD3 of residue 42
P3712
P4082
P3711
P3710
P3708
Atom HB of residue 7
P8489
Atom C of residue 26
P3703
P3702
Atom HE2 of residue 27
P3701
Atom N of residue 26
P3700
P3699
P3697
P3696
P4066
P3693
Atom CB of residue 25
P3689
P8475
P3687
P3684
P3682
P3680
Atom CB of residue 26
Restraint 141
P3679
P3678
P3677
P3676
P3675
P3674
P3673
P3672
P3671
P12503
P3670
P12502
P3669
P12501
P3668
P4029
Atom H of residue 14
P12499
P3666
P12498
P3665
P3662
P4037
P8450
Atom HG22 of residue 23
P3661
P3659
P4034
P3658
P3657
P7185
P3654
Model 275
P3652
P7
Atom CB of residue 23
P3650
P3648
P3647
P3646
P3645
P3641
P3639
Atom HB2 of residue 42
P3636
P3634
P3633
P3630
P4008
P3629
P3957
P3573
P3572
P3571
P3570
P3567
P3566
P3565
P3564
P12394
P3561
P1994
P3560
P8354
P3559
P3558
P3557
P3556
P3555
P3554
P3553
P3552
P12383
P3550
P3549
P3548
P3547
P1309
P3546
P3545
P3931
P3544
P8366
P3542
Model 264
P8365
P8335
P3540
P3539
P8334
P3538
P3537
P3535
P3534
P8329
P3533
P3532
P3531
P3530
P3529
P3528
P3527
P3526
P3525
P3524
P3912
P3523
P3522
P3521
P3520
P3519
P3518
P3517
P3515
P3514
P8310
P3513
P3512
P3511
P3510
P3509
P3508
P3507
Atom CB of residue 38
P3506
P3505
P3504
P3503
P3502
P3501
P3498
P3497
P8292
P3496
P3495
P3494
P3493
P3883
P3491
P3880
P3488
P3484
P3483
P3482
P3481
P3479
Model 257
P3476
P8272
P3475
P3474
P2591
P3473
P2590
P3472
P10044
P2588
P3470
P10042
P2586
Atom HE22 of residue 40
P3468
P10041
P2585
P3467
P10038
P2582
P3464
P10037
P2581
Atom HG13 of residue 26
P2544
P3463
P3462
P3460
P3458
P0
P3851
P3456
P3455
P3453
Atom C of residue 26
P3452
P3450
Atom N of residue 26
P3449
P3447
P3446
P2528
P3445
P3444
P3443
P3442
P3441
P3440
P3437
P3435
P10008
P2554
P3434
P10007
P2553
P3433
P10006
P2552
P3432
P3431
P3430
P3429
Atom HE1 of residue 4
P3428
P3427
P3426
P9999
P8276
P3425
P3424
P3423
P3422
P3421
P3420
P3803
P3403
P3400
P3399
P3398
P3397
P3396
SingletonScore 17
P3395
P3394
P3393
P3392
P3389
P3388
P3387
P3383
P3380
Atom CA of residue 38
P3379
P2467
P3378
P3377
P3376
P3375
P3777
Atom HG3 of residue 37
P3374
P3373
P3774
P3371
P3369
P3368
P3367
P3366
P3362
P3361
Atom HD13 of residue 36
P2451
P3360
P6890
P3358
P3357
P3356
P3355
P3758
P3353
P3352
P3350
P3349
P6359
P3348
P3347
P3346
P3345
P3344
Atom HE2 of residue 1
P3343
Atom C of residue 12
P3342
P3341
P3340
Atom HB3 of residue 31
P3339
P3338
P3337
P3335
P3334
P3333
P3332
P3330
P3329
P3327
P3326
P2419
P3325
P3324
P3323
P3729
Atom HG of residue 56
P3321
P3320
P3726
P3318
Model 223
P3316
P3315
P3314
P3313
P3311
P3310
P3307
P5434
P3306
P3305
Atom HG21 of residue 55
P3304
P5428
P6835
P3303
P6834
Atom HB of residue 55
P3302
P3300
P3298
P3297
P3295
P3294
P2390
P3293
P3292
P3291
Atom HH22 of residue 54
P3290
P3700
P3289
P3288
P3697
P3286
P3285
P3649
P3233
P3232
P3231
P8538
P3230
Atom HB of residue 30
P3229
P3228
P3227
P3226
P3225
P3224
P3223
P3221
P3219
P3218
P3222
P3213
P3212
P3210
P3209
P2313
P3208
P3207
P8514
P3205
P3623
Model 252
P3204
P3202
P3620
P3201
Atom HD1 of residue 59
P3200
P3199
P3198
P2135
P5321
P3195
P5320
P3194
P5318
P3192
P5317
P3191
P5316
P2297
P3190
P8501
P5315
P3189
P5314
P3188
P5313
P2123
P8498
P3187
P5312
P3186
P5311
P3185
P5307
P3181
P5306
P3180
P5305
P3179
P5304
P3178
P5303
P3177
P5302
P3176
P1805
P5301
P3175
P5300
P3174
ListSingletonContainer66
P5298
P3172
P5296
P3170
P22
P5295
P8481
P3169
P5294
P3168
P5292
P3166
P5290
P3164
P5289
P3163
P5288
P3162
P3160
P5285
P3159
P5283
P3157
P5282
JeffreysRestraint_P0
P3156
P5281
P2265
P3155
P3154
P5279
P3153
P5276
P3150
P5275
P3149
P5274
P3572
P3148
P1778
P5272
Atom N of residue 31
P3146
P5271
P3145
P5270
P3144
P5269
P3143
P47
P5267
P3141
P8455
P5266
Model 245
P3140
P5265
P3139
P5264
P3138
P3136
Atom CA of residue 9
P3135
P3134
P3133
P3132
Atom O of residue 5
P3131
P3130
P3128
P3127
P3125
P3124
P2236
P3123
P3121
P3120
P3546
P3119
P3118
P3117
P3543
P3116
P3115
P3114
P3113
P3112
Atom CB of residue 62
P3111
P3110
P3109
P3106
P2220
P3105
Atom HD12 of residue 61
P3104
P3102
P3101
P3100
P3099
P3527
P3098
P3097
P1729
P8411
P3095
P3093
P3091
P3090
P3087
P3086
P3085
P3084
P3082
P3080
P3078
P3075
P3074
P3072
P3071
P3069
P3068
P3067
P3498
P3066
P3065
P3495
P8273
P3063
P3061
P3060
P3059
P3058
P3057
P3056
P3055
P3054
P3052
P3050
P3048
P3046
P3045
P3043
P3042
P3040
P3037
P3035
P3469
P3034
P3033
P3466
P3031
P3029
Model 211
P3028
P3026
P6036
P3025
P6035
P3024
Atom H of residue 39
P6033
P3022
JeffreysRestraint_P0
P6032
P3021
P1659
P8339
P2143
P6031
P3020
P6030
P3019
P8338
P6029
P3018
P6027
P3016
P6026
P3015
P6025
P3014
P3450
P6024
P3013
P6023
P3012
P3017
P6028
P6022
P3011
P6021
P3010
P6020
P3009
P6019
P3008
P6018
P3007
P6017
P3006
P6016
P3005
P6015
P3004
P6014
P3003
P6012
P3001
P6011
P3000
P6010
P2999
P6009
P2998
P6008
P2997
P3002
P6013
P6007
P2996
P6006
P2995
P6004
P2993
P6003
P2992
P1803
P6002
P2991
P6001
P2990
P6000
P2989
P2994
P6005
P5999
P2988
P5997
P2986
P5996
P2985
P5995
P2984
P5994
P2983
P5562
P8304
P5993
P2982
P5561
P8302
P2987
P5998
P3421
P5992
P2981
P5991
P2980
P5558
P8300
P3418
P5989
P2978
P5988
P2977
P5556
P6935
P8296
P1789
P5987
P2976
P5985
P2974
P2979
P5990
P5984
P2973
P5982
P2971
P5981
P2970
P2975
P5986
P5980
P2969
P5979
P2968
P5978
P2967
P2972
P5983
P2966
P6458
P2926
P6457
P2925
P6456
P2924
P6455
P2923
P6454
P2922
P6453
P2921
P2920
P2918
P2917
P2510
P1733
P2916
P2915
GaussianProcessInterpolation9
P2914
P2507
P2913
P2911
P2910
P2909
P2907
P2906
P2905
P2903
P2902
P1719
P2901
Model 214
P2900
P2899
P2898
P3344
P2896
P11729
P2895
P2894
P3341
P487
P2893
P2892
P2891
P2890
P2888
P2887
P1705
P2886
P2885
P2481
P5895
P2884
P2883
P2478
P2881
P2880
P2879
P2878
P2877
P2876
P2873
P2872
P1691
P2871
P2870
P2869
P2868
P2866
P2865
P3315
P2864
P9438
P2462
P2863
P3312
P1914
P2861
P2858
P2857
P1677
P2856
P2855
P2854
P2853
P2851
P2850
P2848
P2847
P1900
P2846
P2845
P3296
P6375
P2843
P1663
P2841
P2839
P5860
P2838
P5858
P2836
P2835
P2833
P2433
P2837
P5859
P1886
P2831
P2830
P2430
P2828
P459
P2827
P2832
P5840
P1649
P2826
P2825
P2824
P2823
P2821
Linear1DFunction 0
P2820
P2819
P2818
P2817
P5823
P2815
P2813
P3267
P1635
P2811
P3264
P2808
P2806
P2805
P2804
P2803
P2802
P1858
P2801
P2800
P5806
P2798
P2797
P2795
P445
P5802
P2794
P2716
P8418
P2327
P2714
P2670
P2669
P2668
P2667
P2666
P2665
P2663
P2279
P1495
P2661
Model 180
P2660
P2276
P2658
P2657
P2656
P2655
P2654
P2653
P2652
P2651
P2650
P2648
P2647
P2643
P3113
P5653
P2641
P2640
P3110
P2638
P5649
P2637
Atom O of residue 13
P5648
P2636
P5647
P2635
P2639
P5651
P5645
P2633
P5644
P2632
P1467
P2631
P2634
P5646
P5640
P2628
P5207
P2247
Atom CB of residue 12
P5638
P2626
P2625
P2630
P5642
P11458
P5636
P2624
P375
P2629
P5641
P2623
P2627
P5639
P2621
P2618
P2617
P1453
P2616
P2615
P2614
P2613
P5593
P2612
P5592
P2611
P2609
P2608
P2607
P2605
P1443
P2603
P2602
P2601
P2600
P2599
P8333
P2224
P2598
P2221
P2595
P2594
P2592
P6125
P2590
P359
P2589
P1429
P2588
P2587
P2586
P2585
P2584
P2583
P2582
P2581
P2580
P2569
P5582
P5576
P2579
P5591
P2578
P5596
P5590
P2577
P5595
P353
P5589
P2576
Atom CB of residue 50
P5587
P2574
P11405
P5586
P2573
P5585
P1413
P2572
P5584
P2571
P2575
P5588
P11391
P2556
P2555
P2554
P2553
P2552
P5568
P8441
P6030
P1443
P2540
P2539
P2537
P2536
P7356
Atom HD3 of residue 63
P2530
P2529
P2528
P7353
P2527
P2521
P7345
P2520
P8042
P2518
P1419
P2517
P2559
P2514
P2511
Atom HG3 of residue 62
P2510
P2507
P5051
P2506
P2505
P5048
P2503
P2502
P2499
P2498
P10855
P2495
P2493
P2535
P2491
P2490
Atom HB3 of residue 58
P111
P2489
P2488
P8015
P110
P2487
P2485
Atom OD1 of residue 58
P1385
P2484
P2525
P2481
P8001
P2474
P7291
P2471
P10828
P2470
P2469
P2520
P7297
P4099
Atom C of residue 57
P2468
P2466
P2465
P2462
P2460
P2459
P2457
P5937
P1354
P7980
P2455
Atom N of residue 56
P2454
P2452
P2491
P7266
P2448
P4986
P4983
P2443
P4078
P2442
P89
P2441
Atom O of residue 82
P4075
P2439
P10790
P2436
P10787
P2433
P2432
P7948
P2426
P2467
Covariance1DFunction 24
P2425
Atom CA of residue 58
P2424
P4057
P2423
P2422
Atom CZ of residue 54
P4954
P4948
P2418
P2416
P2414
P2413
Atom CB of residue 54
P2409
P7926
P2406
P2405
P2403
P2402
P2400
P4932
Atom CA of residue 52
P2396
P2442
P4929
P7483
P4025
P2394
P2393
P7480
P4022
P2391
P7908
P2390
Atom HG2 of residue 51
Atom H of residue 55
P2384
P2423
P7892
P2382
P2377
P2376
P10732
Atom CB of residue 51
P10723
P2375
P2373
P5417
P2372
P2369
P2368
P2366
P3993
P2365
P3990
P7870
P2362
P10711
P4889
P2357
P4886
P2355
P2353
P2389
P2349
P3972
P7852
P2346
GLY
P2345
P2342
P47
P2337
P10680
Atom CB of residue 52
P2336
P2335
P4858
P7138
P2332
P2036
P2330
P2329
P2365
P2326
P5362
P2325
P2324
P2026
P2320
P2319
P3940
P7820
GLU
P2317
P2355
P2316
P3937
P7817
P5350
P2314
P4869
P2313
P2311
P10651
P2310
P10648
P2307
P2306
P2305
P2303
P2301
P4822
Atom C of residue 50
P2299
P4836
P2296
P2295
P2294
P7104
ALA
P2338
P7801
P2292
P2291
P7798
P2290
P2289
P1594
P3908
P7788
P2288
P10626
P2287
P3905
Atom HG2 of residue 49
Atom HA of residue 45
P2284
P28
P2281
P2326
Atom CE1 of residue 45
P10618
P2280
P10615
P13
P2277
P2274
PHE
P2272
P3887
P2269
P2266
P2264
Atom HD2 of residue 48
Atom HG12 of residue 44
P2263
P2262
P10596
P2297
P2260
P2258
P10593
P2257
P2256
P2252
P2251
Atom N of residue 61
VAL
P7745
P2249
P2248
Atom CB of residue 17
P2247
P7742
P2246
P2243
P3855
P5699
ClosePairContainer
P2240
P3852
P2237
P10564
P2231
P2229
P7730
P10561
P2228
P2263
P2227
Atom HE of residue 42
P5264
P7724
P2226
P7729
P2224
P2223
P2220
P10550
P2218
P2253
P2217
P2212
P3823
P2211
P2210
P3820
P2208
P2207
P2204
Atom H of residue 41
P2200
P2197
Atom HD22 of residue 43
P2195
P2229
P2194
P2193
P2191
P2189
P10517
P2188
P2187
P2186
P5220
Atom HB3 of residue 40
P8146
P4699
P7682
P2185
P2219
P2184
P2183
P8143
P4696
P7679
P2182
P2224
P5218
Atom NE2 of residue 40
P2181
P2175
P2174
P2171
Atom HD2 of residue 42
P8122
P2170
P2168
P3770
P7658
P2163
P3767
P2160
P2159
P2155
P2154
P10477
P2152
P2185
P2151
P2150
P2148
P2147
Atom N of residue 38
P2145
P2142
P7626
P8090
P2141
P7623
P2138
P2136
P2135
P3738
MD 15
P2134
P3735
P6917
P2131
P2130
P2916
P2129
P2127
P2126
P2119
P2420
P2118
P2114
P6394
P2113
P2108
P8553
P2107
P2106
P2105
P2592
P2104
P2102
P7431
P2101
P7030
P2099
P7793
P4795
P2098
P2097
P2096
P2095
P2093
P2091
P2090
P6829
Atom CG of residue 56
P2088
P2086
P7779
P4781
P2085
P2084
P2083
P2081
P3817
P3376
P2080
P2079
P5986
P3847
P2078
P2077
P2076
P2074
P2070
P2488
P2067
P5972
P3833
P2065
P2064
P2063
P3
P2062
P2061
P2060
P2468
P2059
P7058
Atom HB2 of residue 58
P2961
P2057
P2056
P2055
P6447
P2054
P2049
P2021
SingletonScore 2
P4891
P2380
P1901
P2020
P1900
P2019
P1896
P2015
P1895
P2014
P1894
P2013
P5991
P1893
P2012
P5439
P1892
P2011
P1974
MovedSingletonContainer8
P1970
P1967
P6559
P1966
P5171
P1965
P6794
P1963
Atom HG of residue 50
P1962
Atom HB3 of residue 50
P1961
P1958
P6
P1957
P7005
P1956
P1955
P7393
P1950
P1948
P1947
P6994
P1946
P1959
P1942
P7379
P1940
P1938
P2978
P4370
P1937
P1935
P1934
P6979
P1932
P8491
P1928
P1927
P1926
P1924
P4355
P2963
P1923
Atom CE1 of residue 59
P1922
Atom CD1 of residue 59
P1919
P6964
P1918
P1915
P1914
P1913
P1912
P4340
P2948
P1909
P1908
P1905
P6949
P1904
ASP
P1901
P3454
Atom N of residue 58
P1900
P2527
Atom HG of residue 57
P1899
P1898
P1897
P1896
P1894
GaussianProcessInterpolation75
P1892
P8465
P6934
P1890
P1889
P1885
P1884
P1883
P1882
P4316
P2924
P7316
P3433
P1879
P6919
P1876
Chain A
P1875
P8448
P1873
P8447
P1872
P1871
P1870
P1869
P1868
Atom HA of residue 42
P3418
P1865
P1863
P6904
P1862
P1861
P1858
P1857
P1856
P1855
P1854
P7499
P3403
P6404
P1850
P8424
P6889
P1848
P1847
P1844
P1842
P1841
P1840
P2873
P4265
P1839
P3388
P1837
P6389
P1836
P6874
P1834
P1833
P1826
P3253
P2813
P1824
P6513
P7220
P1822
P1821
P8087
P1818
P1815
Atom HG21 of residue 12
P7658
P1812
P6494
P1811
P3238
Atom HB2 of residue 46
Atom HB1 of residue 46
P1804
P7646
P1801
P1798
P1797
P3223
P1740
P2783
P1796
P1735
Atom HA of residue 11
P1790
P1624
P1684
P2153
P1682
P3724
P2152
P1681
P7610
P8074
Atom CD1 of residue 36
P8065
P7601
P1678
Atom CG2 of residue 36
P1677
P6896
P1672
P5129
P1670
P1669
P3710
P1668
P1667
P10427
P1666
P8050
P7586
P1664
P1663
P1662
P1661
P1660
P1658
P1656
Atom OE2 of residue 34
Atom CG of residue 38
P5113
P1655
Atom OE1 of residue 34
Atom CG2 of residue 120
P3695
Atom CB of residue 38
P1654
P1647
P1646
P1644
P1642
P1640
P1639
P1638
P1635
P1634
P1633
P1632
P1630
P1628
P3665
Atom OD2 of residue 32
P1626
Atom HA of residue 36
P1624
P4565
P1621
P1620
P1618
P1616
P1614
P3650
P1612
P1611
P2076
P1610
Atom N of residue 8
P1609
P10365
P7526
P7990
P1608
P1607
P1606
P4546
P1605
P4539
P1604
P1602
Atom H of residue 34
P1600
P3635
Atom HD12 of residue 30
P1598
GeneralizedGuinierPorodFunction 0
P1597
P1595
P4088
P2240
P7511
P7975
P1594
P1592
P1591
P7971
P1590
P1588
P4526
P2230
P3620
P1584
P1583
P4106
P1582
P1581
P7496
P7960
P1580
P1576
P10333
P1575
P4511
P4505
P1572
P3605
P2114
P1570
P1569
P2034
P1568
P1567
P7481
P7945
P1566
Atom HE2 of residue 29
P1563
P3590
P1556
P1555
P1554
P1553
P2021
P7466
P7930
P1552
P2197
P10303
P2
P1550
P7462
P1548
P1547
P1546
Atom CA of residue 65
P4481
P3575
Atom CD of residue 31
P1542
P1541
P1540
P1539
P10297
Atom CA of residue 28
P10288
P2004
P1536
P1535
P2002
P1534
P1533
P1532
P1537
P7450
P4466
P4460
P1530
P3560
P1528
P2174
P1526
P1525
P7900
P1524
P10273
P1522
P1521
Atom HD3 of residue 63
P1520
Atom HD2 of residue 63
P1519
Atom HG3 of residue 63
P1518
Atom HA of residue 63
P1514
P1978
P1513
LYS
P1512
Atom N of residue 27
P1511
P7894
Atom HG23 of residue 26
P7885
P1510
P7429
Atom HG22 of residue 26
P7420
P1509
Atom HG13 of residue 26
P1507
Atom HG11 of residue 26
P1505
P3530
P1500
P1499
P7872
P1498
P4944
P1497
P1496
P7869
P1495
P1493
P4114
P1956
P439
P1492
Atom CA of residue 29
P1491
P1486
P1485
P1484
P3968
P2131
P1482
P7390
P7854
P1481
P10227
P1479
P1478
P3500
Atom HD3 of residue 27
P1472
Atom HD2 of residue 27
P1471
Atom HG3 of residue 27
P1470
Atom HG2 of residue 27
P1469
P1934
Atom HB3 of residue 27
P1468
P7375
P7839
Atom HB2 of residue 27
P1467
P10212
P1465
P1929
P1464
P1463
P1462
P3485
P1458
P1457
P1456
Atom HA of residue 60
P1455
P1454
P1453
P7359
P1452
P1450
P1449
ILE
P1448
P1443
P1442
P1441
P1440
P1439
P1438
P10182
P7343
P7807
P1437
P1435
P1434
Atom CA of residue 76
P1429
P1428
P1427
P1426
P1425
P1424
P10167
P7792
P1423
P1421
P1422
P7327
P1415
P1414
P1413
P1412
P1411
P4848
P1410
P10152
P1877
P7777
P1409
P7312
P4846
P1408
P1406
P4331
P3425
P1402
P1374
P4299
Atom CA of residue 23
P1371
Atom N of residue 18
P1369
P4812
Atom HG12 of residue 17
P1364
P1360
P4284
P1357
P7831
P8216
P1355
P1361
P7264
P1354
P1353
P1351
Atom OG of residue 20
P1350
P6560
P1356
P7255
P373
Atom CB of residue 20
P1349
P1344
P1342
P1341
P369
P1340
P1339
P1338
P1332
P6772
P1331
P1330
P1329
P1328
P1326
P5355
P7246
P7691
P1324
P5806
P1321
P2892
P6352
P1320
P6438
P2455
P1319
P3140
P1316
P1315
P1312
P1310
P1309
P1476
P1308
P7234
P1306
P8305
P5653
P2157
P6040
P1544
P5454
P13012
P4191
Atom HA2 of residue 76
P3834
Atom H of residue 76
P7409
Atom O of residue 76
P7406
GLY
Atom HA3 of residue 75
Atom HA2 of residue 75
Atom O of residue 75
P6764
P3303
Atom C of residue 75
GLY
P3300
P6761
Atom N of residue 75
Atom HH22 of residue 74
Atom HH11 of residue 74
Atom HD3 of residue 74
Atom HG2 of residue 74
P3289
P6750
Atom HB3 of residue 74
Atom HB2 of residue 74
Atom NH2 of residue 74
P7165
Atom CZ of residue 74
Atom NE of residue 74
P6284
Atom CD of residue 74
Atom CG of residue 74
P3278
P6739
Atom CB of residue 74
Atom O of residue 74
P7371
P3795
Atom CA of residue 74
ARG
Atom HD21 of residue 73
P6272
Atom HD13 of residue 73
Atom HD12 of residue 73
P6724
Atom HB2 of residue 73
P6261
Model 387
Atom CG of residue 73
Atom CB of residue 73
Atom CA of residue 73
P6710
Atom HH21 of residue 72
Atom HH12 of residue 72
P3765
Atom HD3 of residue 72
Atom HD2 of residue 72
P6246
Atom HG3 of residue 72
P6699
Atom HA of residue 72
Atom H of residue 72
P3235
Atom CZ of residue 72
Atom CB of residue 72
P6688
Atom C of residue 72
P6222
Atom CA of residue 72
P6685
Atom N of residue 72
Atom HD23 of residue 71
P7102
Atom HD13 of residue 71
P7315
Atom HD12 of residue 71
P6221
Atom HD11 of residue 71
P3731
Atom CD2 of residue 71
P7091
Atom CG of residue 71
P7304
Atom CB of residue 71
P2310
P6210
Atom O of residue 71
P6207
LEU
Atom HG23 of residue 70
P3200
Atom HG22 of residue 70
Atom HG13 of residue 70
P7075
Atom H of residue 70
Atom CG2 of residue 70
Atom CG1 of residue 70
Atom C of residue 70
Atom N of residue 70
P7063
Atom HD21 of residue 69
Atom HD13 of residue 69
P6182
P7275
Atom HD12 of residue 69
Atom HG of residue 69
P3175
Atom HB3 of residue 69
P8556
P3692
Atom H of residue 69
P3171
Atom CD1 of residue 69
Atom CG of residue 69
P3680
Atom HD2 of residue 68
Atom HB2 of residue 68
P6651
P7037
Atom H of residue 68
P3148
Atom O of residue 68
Atom C of residue 68
P5450
P6148
Atom CA of residue 68
P3145
HIS
Atom N of residue 68
Atom HD21 of residue 67
P6599
Atom HD13 of residue 67
P3134
Atom HB2 of residue 67
Atom CD1 of residue 67
P6588
Atom CG of residue 67
Atom O of residue 67
P3644
P6120
P5422
Atom C of residue 67
LEU
P6117
P3641
Atom N of residue 67
P3120
Atom HG22 of residue 66
Atom HA of residue 66
P6996
Atom CG2 of residue 66
P2217
Atom OG1 of residue 66
P3630
P6106
P2216
Atom CB of residue 66
P3109
Atom C of residue 66
Atom CA of residue 66
P3104
Atom HB3 of residue 65
P6089
P3613
SER
P3092
Atom HG3 of residue 64
Atom HG2 of residue 64
P6969
Atom HA of residue 64
Atom OE2 of residue 64
P6544
Atom OE1 of residue 64
P6586
P8275
Atom CD of residue 64
P3081
Atom CB of residue 64
Atom O of residue 64
GLU
Atom HZ3 of residue 63
P2562
P6955
Atom HZ2 of residue 63
Atom HE3 of residue 63
P7166
Atom HE2 of residue 63
P3588
Atom HD3 of residue 63
Atom HG2 of residue 63
Atom HB2 of residue 63
P2171
Atom H of residue 63
Atom NZ of residue 63
P6519
Atom CE of residue 63
Atom CD of residue 63
P3048
Atom HE22 of residue 62
Atom HE21 of residue 62
P6507
Atom HG3 of residue 62
P6549
P8242
Atom HG2 of residue 62
P2152
Atom NE2 of residue 62
Atom OE1 of residue 62
Atom CG of residue 62
Atom CB of residue 62
P2147
Atom O of residue 62
Atom C of residue 62
P7130
P3033
Atom CA of residue 62
GLN
Atom HD12 of residue 61
P2539
Atom HD11 of residue 61
P6493
P2145
P6028
Atom HG22 of residue 61
Atom HG12 of residue 61
P6481
Atom HB of residue 61
Atom HA of residue 61
Atom CG2 of residue 61
P2526
Atom CG1 of residue 61
Atom CB of residue 61
Atom O of residue 61
Atom C of residue 61
P6005
Atom HD21 of residue 60
P2514
Atom HB2 of residue 60
Atom CG of residue 60
Atom CB of residue 60
Atom CA of residue 60
P5991
P6448
Atom N of residue 60
Atom HE2 of residue 59
P174
Atom HE1 of residue 59
P5987
Atom HD2 of residue 59
Atom HD1 of residue 59
Atom HA of residue 59
P5980
Atom OH of residue 59
P7072
P2975
Atom CZ of residue 59
Atom CE1 of residue 59
Atom CA of residue 59
TYR
P5966
P5261
Atom HB3 of residue 58
P5964
Atom HA of residue 58
P1864
Atom H of residue 58
P1863
P3478
P6419
Atom OD2 of residue 58
ListSingletonContainer547
Atom CG of residue 58
P5253
Atom CB of residue 58
Atom CA of residue 58
P5952
Atom HG of residue 57
Atom HB2 of residue 57
Atom HA of residue 57
P3464
P6405
Atom H of residue 57
P1844
SER
Atom HD22 of residue 56
Atom HD21 of residue 56
P3452
P6393
Atom HD13 of residue 56
Atom HG of residue 56
Atom HB3 of residue 56
Atom HB2 of residue 56
Atom HA of residue 56
P5928
P7020
Atom CD2 of residue 56
Atom CD1 of residue 56
P6382
P3441
Atom CG of residue 56
P2920
P5215
Atom CA of residue 56
P2917
Atom HG22 of residue 55
Atom HG21 of residue 55
Atom HB of residue 55
Atom HA of residue 55
Atom H of residue 55
Atom CG2 of residue 55
THR
P6395
P6781
Atom N of residue 55
Atom HH22 of residue 54
P6990
Atom HE of residue 54
P2417
Atom HD3 of residue 54
Atom HG2 of residue 54
Atom HB2 of residue 54
Atom CZ of residue 54
P3400
Atom NE of residue 54
Atom CB of residue 54
P5877
P6970
Atom CA of residue 54
ARG
Atom HA2 of residue 53
Atom H of residue 53
Atom O of residue 53
GLY
P3383
Atom N of residue 53
P2862
P6322
Atom HB2 of residue 52
Atom H of residue 52
P3727
P6739
P5155
Atom OD1 of residue 52
Atom CG of residue 52
Atom CB of residue 52
Atom O of residue 52
P3372
Atom C of residue 52
P6958
Atom CA of residue 52
ASP
P5147
P2848
P6308
Atom HG2 of residue 51
P6953
Atom HB3 of residue 51
P2373
Atom HA of residue 51
P5342
P2369
P5843
Atom CD of residue 51
P3358
P1751
Atom CG of residue 51
P5136
P2837
P6297
P1749
Atom O of residue 51
P6942
P2365
P1748
Atom C of residue 51
P5133
P2834
P6294
GLU
P1755
P6939
Atom N of residue 51
P5827
Atom HD23 of residue 50
P6925
Atom HD21 of residue 50
Atom HD12 of residue 50
Atom HD11 of residue 50
P3344
Atom HG of residue 50
P5122
P2823
P6283
Atom HB2 of residue 50
Atom H of residue 50
Atom CD1 of residue 50
P5820
P5115
Atom CG of residue 50
Atom O of residue 50
P3333
P0
Atom C of residue 50
P6919
Atom CA of residue 50
LEU
P6907
Atom N of residue 50
Atom HE22 of residue 49
Atom HE21 of residue 49
P5802
Atom HG2 of residue 49
Atom HA of residue 49
P2800
P114
P6260
Atom OE1 of residue 49
P6905
Atom CD of residue 49
Atom CG of residue 49
Atom O of residue 49
P6676
P2326
GLN
P6673
Atom HZ2 of residue 48
Atom HE3 of residue 48
P5780
Atom HD3 of residue 48
Atom HD2 of residue 48
Atom HG2 of residue 48
P2775
Atom CE of residue 48
P6880
P6234
Atom CD of residue 48
P8476
P2308
P1689
Atom CG of residue 48
P1687
Atom O of residue 48
P8466
P6651
Atom HA2 of residue 47
P2761
P101
Atom C of residue 47
P2296
Atom CA of residue 47
P2758
Atom N of residue 47
Atom HB2 of residue 46
P1670
Atom H of residue 46
P5049
P1669
Atom CB of residue 46
P1674
P5752
P1667
P3268
Atom C of residue 46
P6854
P6208
Atom CA of residue 46
P6633
Atom N of residue 72
P2282
P2744
Atom HE2 of residue 45
Atom HB2 of residue 45
Atom HA of residue 45
P1322
P5738
P3254
Atom CZ of residue 45
Atom CE1 of residue 45
Atom CD1 of residue 45
Atom O of residue 45
Atom C of residue 45
PHE
MolecularDynamicsMover6
Atom N of residue 45
P6603
Atom HG23 of residue 44
P88
P5712
Atom HG21 of residue 44
P6596
P6594
P6808
Atom HA of residue 44
P2710
Atom CD1 of residue 44
P6815
Atom CG2 of residue 44
P6582
P6803
Atom HD13 of residue 43
P6156
Atom HD12 of residue 43
Atom HD11 of residue 43
Atom HG of residue 43
P5687
Atom HB2 of residue 43
Atom CD2 of residue 43
P6792
P1608
Atom CG of residue 43
P1607
P6145
Atom CB of residue 43
P1606
Atom O of residue 43
P1605
Atom C of residue 43
P6785
Atom N of residue 43
P76
P6138
Atom HH22 of residue 42
Atom HH21 of residue 42
Atom HH12 of residue 42
P3537
LEU
P5669
Atom HE of residue 42
P2671
Atom HD3 of residue 42
Atom HD2 of residue 42
P2813
Atom HB3 of residue 42
Atom HB2 of residue 42
P5293
P2808
Atom NH1 of residue 42
P1591
P5782
Atom NE of residue 42
P4812
Atom O of residue 42
P2653
Atom CA of residue 42
Atom N of residue 42
P6757
P6111
Atom HE21 of residue 41
P5644
Atom HG2 of residue 41
Atom HB2 of residue 41
P3161
Atom OE1 of residue 41
P6746
P1565
P6100
Atom CG of residue 41
P1564
Atom CB of residue 41
P1563
Atom O of residue 41
ILE
P5137
P2183
P5638
GLN
P2182
Atom N of residue 41
Atom HE22 of residue 40
Atom HE21 of residue 40
P3149
Atom HG3 of residue 40
P2628
Atom HB3 of residue 40
P5630
Atom HB2 of residue 40
P6732
P6086
Atom HA of residue 40
Atom NE2 of residue 40
P2621
Atom OE1 of residue 40
Atom CG of residue 40
P3138
Atom CB of residue 40
P2617
P8427
P6499
P55
Atom C of residue 40
Atom CA of residue 40
P2614
P6496
Atom N of residue 40
P5616
Atom HB3 of residue 39
P6718
P2162
P6072
Atom HB2 of residue 39
P1545
P5614
P1538
Atom HA of residue 39
Atom H of residue 39
Atom OD2 of residue 39
P8425
P2158
P6488
Atom CG of residue 39
P3124
Atom CB of residue 39
P5602
Atom HD3 of residue 38
P6704
P6058
Atom HD2 of residue 38
P2593
Atom HG3 of residue 38
P2589
P46
Atom CD of residue 38
Atom O of residue 38
P6690
P5590
P6047
Atom C of residue 38
PRO
P6044
Atom N of residue 38
Atom HD3 of residue 37
Atom HD2 of residue 37
P6458
Atom HA of residue 37
Atom CG of residue 37
Atom CB of residue 37
P6032
Atom O of residue 37
Atom CA of residue 37
P6029
PRO
Atom N of residue 37
P5572
P6672
Atom HD12 of residue 36
P5560
Atom HA of residue 36
ListSingletonContainer491
Atom H of residue 36
Atom CG2 of residue 36
P5553
Atom O of residue 36
P1479
Atom CA of residue 36
ILE
Atom HA3 of residue 35
Atom H of residue 35
Atom O of residue 35
Atom C of residue 35
P4868
Atom CA of residue 35
P6413
P3050
Atom H of residue 34
P6633
P5533
P5990
Atom OE2 of residue 34
Atom OE1 of residue 34
Atom CG of residue 34
Atom CB of residue 34
P1455
Atom CA of residue 34
P6401
P3038
Atom HZ3 of residue 33
P5513
Atom HZ1 of residue 33
P6397
P3034
Atom HE2 of residue 33
Atom HD3 of residue 33
Atom HD2 of residue 33
Atom HG3 of residue 33
Atom HG2 of residue 33
P6388
P3025
Atom H of residue 33
Atom CG of residue 33
Atom CB of residue 33
Atom CA of residue 33
P1431
LYS
P1429
P3013
Atom HB3 of residue 32
P3011
Atom HA of residue 32
P1748
P5950
Atom OD2 of residue 32
Atom CG of residue 32
Atom CB of residue 32
Atom O of residue 32
Atom CA of residue 32
ASP
Atom HE22 of residue 31
P5938
Atom HG3 of residue 31
Atom HB3 of residue 31
Atom HB2 of residue 31
Atom HA of residue 31
Atom CD of residue 31
Atom N of residue 31
Atom HD13 of residue 30
P2437
P1720
P5463
Atom HD12 of residue 30
Atom HG23 of residue 30
Atom HG22 of residue 30
P1648
Atom HG21 of residue 30
Atom HG13 of residue 30
Atom HG12 of residue 30
Atom HA of residue 30
Atom H of residue 30
Atom CD1 of residue 30
P6332
P1704
P197
Atom CB of residue 30
P1703
Atom O of residue 30
P1702
Atom C of residue 30
ILE
Atom N of residue 30
P195
Atom HZ3 of residue 29
Atom HZ1 of residue 29
P6529
P2952
Atom HE3 of residue 29
Atom HE2 of residue 29
P5889
Atom HG3 of residue 29
P5434
Atom HG2 of residue 29
Atom H of residue 29
P6304
Atom NZ of residue 29
P5878
Atom CB of residue 29
Atom C of residue 29
P5418
Atom CA of residue 29
LYS
P2929
Atom HB2 of residue 28
P6290
Atom HA of residue 28
Atom CB of residue 28
P8431
P5864
Atom C of residue 28
P8428
P5861
Atom N of residue 28
P5402
Atom HZ2 of residue 27
Atom HZ1 of residue 27
Atom HE3 of residue 27
Atom HE2 of residue 27
P6500
Atom HD3 of residue 27
Atom HG3 of residue 27
P5850
Atom HB3 of residue 27
Atom HB2 of residue 27
P5391
Atom HA of residue 27
Atom H of residue 27
P2904
P8414
Atom NZ of residue 27
ScoreState 29
Atom CG2 of residue 5
P2361
P6265
Atom CB of residue 27
P5839
Atom C of residue 27
Atom CA of residue 27
P5836
Atom N of residue 27
P6481
Atom HG23 of residue 26
Atom HG22 of residue 26
Atom HG13 of residue 26
P2888
Atom HG11 of residue 26
Atom HB of residue 26
P6470
Atom CG1 of residue 26
Atom O of residue 26
P8388
Atom N of residue 26
P2874
Atom HD21 of residue 25
P5809
Atom OD1 of residue 25
P5351
Atom CG of residue 25
P6442
Atom CB of residue 25
P8376
P2863
Atom C of residue 25
P1611
P166
Atom CA of residue 25
P6223
P2860
Atom N of residue 25
Atom N of residue 56
P6220
Atom HB3 of residue 24
P5794
Atom OE2 of residue 24
Atom CD of residue 24
P8462
P2849
Atom CG of residue 24
Atom CB of residue 55
P6209
Atom C of residue 24
Atom O of residue 104
Atom CA of residue 24
P6206
Atom N of residue 24
Atom HD13 of residue 23
Atom HD11 of residue 23
P5821
P1588
Atom HG22 of residue 23
P1587
Atom HG21 of residue 23
P1586
P5320
P2835
Atom HG13 of residue 23
P2305
P1584
Atom H of residue 23
Atom CB of residue 23
P5309
P2824
Atom C of residue 23
ILE
P5761
Atom HG23 of residue 22
P6404
Atom HG1 of residue 22
P5600
Atom CG2 of residue 22
Atom C of residue 22
P1558
P5290
P2805
Atom N of residue 22
P1556
Atom H of residue 21
Atom OD1 of residue 21
P5739
Atom CG of residue 21
Atom CB of residue 21
P5279
P2794
Atom C of residue 21
Atom CA of residue 21
P5276
P2791
Atom N of residue 21
Atom OG of residue 20
P5724
Atom O of residue 20
P5721
SER
P2777
Atom HD3 of residue 19
P6352
Atom HG3 of residue 19
P1528
P8284
P4554
P5248
Atom HA of residue 19
Atom CG of residue 19
P2766
Atom O of residue 19
Atom CA of residue 19
P2763
PRO
Atom HG2 of residue 18
P6122
P4542
Atom HB3 of residue 18
Atom H of residue 18
P4547
P8231
Atom CD of residue 18
P131
P5235
P6327
Atom CB of residue 18
Atom O of residue 18
GLU
P6108
Atom N of residue 18
Atom HG13 of residue 17
P8215
P6325
Atom HB of residue 17
P2736
Atom HA of residue 17
P5219
Atom CG2 of residue 17
Atom CG1 of residue 17
Atom C of residue 17
Atom N of residue 17
Atom HB2 of residue 16
P8246
Atom CG of residue 16
P5668
P7979
Atom N of residue 16
P7288
Atom HD22 of residue 15
Atom HD21 of residue 15
P1318
P5444
Atom HD12 of residue 15
Atom CG of residue 15
Atom CB of residue 15
Atom C of residue 15
LEU
P7705
Atom N of residue 15
Atom HG23 of residue 14
Atom HA of residue 14
Atom OG1 of residue 14
Atom CB of residue 14
Atom HD13 of residue 13
P2
Atom CA of residue 30
Atom HD12 of residue 13
Atom HD11 of residue 13
Atom HG23 of residue 13
P2535
Atom HG22 of residue 13
Atom HG21 of residue 13
Atom HG12 of residue 13
P5202
Atom HB of residue 13
Atom HA of residue 13
Atom CG2 of residue 13
Atom O of residue 13
Atom CG2 of residue 30
Atom HG21 of residue 12
Atom HB of residue 12
Atom H of residue 12
Atom CG2 of residue 12
Atom OG1 of residue 12
Atom C of residue 12
Atom CA of residue 12
P4255
P2432
P4252
THR
P5659
Atom HZ2 of residue 11
P4784
P7770
Atom HZ1 of residue 11
P4067
Atom HE3 of residue 11
P5517
P2526
P6152
Atom HG3 of residue 11
Atom HG2 of residue 11
Atom HB2 of residue 11
P3744
P7440
Atom HA of residue 11
Atom HA of residue 46
P2017
P8557
P4191
Atom NZ of residue 11
Atom CE of residue 11
P2282
Atom CD of residue 11
Atom CG of residue 11
Atom O of residue 11
PairsRestraint 6
P5729
P5265
LYS
Atom N of residue 11
P6141
Atom HA3 of residue 10
Atom HG2 of residue 19
Atom O of residue 10
Atom CA of residue 10
Atom CA of residue 20
P6357
P4553
Atom CD of residue 19
Atom HG21 of residue 9
P6347
Atom CB of residue 9
P8275
P6343
P6331
Atom O of residue 9
P6116
P4535
Atom CA of residue 9
P8220
P8264
P8226
P1506
Atom HD23 of residue 8
Atom HD12 of residue 8
Atom HG of residue 8
P1498
Atom HB3 of residue 8
P4516
Atom CG of residue 8
Atom O of residue 8
P6316
P8205
P152
Atom N of residue 8
Atom HG22 of residue 7
Atom HB of residue 7
P5701
P1476
Atom HA of residue 7
P6079
Atom CG2 of residue 7
P4496
Atom OG1 of residue 7
P5653
Atom CB of residue 7
Atom O of residue 7
Atom C of residue 7
Atom CA of residue 7
THR
P3
P1466
P4489
Atom HZ3 of residue 6
Atom HZ2 of residue 6
Atom HE3 of residue 6
Atom HE2 of residue 6
Atom HB3 of residue 6
P5669
P6056
Atom HA of residue 6
Atom H of residue 6
P2923
Atom CD of residue 6
P38
P6274
P5183
P4072
P3821
P3812
Atom N of residue 6
Atom HG23 of residue 5
P5289
Atom HB2 of residue 4
P5277
P2204
Atom HG22 of residue 5
Atom HE1 of residue 68
P5555
P7739
Atom HG12 of residue 5
ARG
P1438
P4459
P8534
Atom H of residue 5
Atom CG1 of residue 5
P5603
Atom CB of residue 5
P5804
P7695
Atom O of residue 5
P4547
Atom HZ of residue 4
P1800
Atom HE2 of residue 4
Atom HD2 of residue 4
Atom HB3 of residue 4
Atom HB2 of residue 4
Atom O of residue 9
P5231
Atom H of residue 4
Atom CZ of residue 4
Atom CD2 of residue 73
P3892
P8331
Atom CD2 of residue 4
Atom CD1 of residue 4
P4254
Atom CG of residue 4
Atom CB of residue 4
P7763
Atom C of residue 4
Atom CA of residue 4
P5706
PHE
Atom N of residue 4
P0
Atom HD11 of residue 3
P8229
Atom HG23 of residue 3
P5221
Atom HG21 of residue 3
P0
Atom HG12 of residue 3
Atom CA of residue 66
P5501
P1748
Atom HB of residue 3
P3730
Atom H of residue 3
P6871
P3174
Atom CD1 of residue 3
P2724
Atom CG2 of residue 3
P4
P5297
P4031
Atom CB of residue 3
Atom C of residue 3
P5604
Atom HG3 of residue 2
Atom HG2 of residue 2
P2092
P1570
Atom OE1 of residue 2
Atom CD of residue 2
P2545
Atom CG of residue 2
P7998
Atom C of residue 2
Atom CA of residue 2
P4557
P2123
Atom HE3 of residue 1
Atom HE1 of residue 1
Atom HG2 of residue 1
Atom HB3 of residue 1
P4615
P7605
Atom HB2 of residue 1
P8393
P7703
P5812
Atom CB of residue 1
P2126
Atom O of residue 1
P5551
Atom C of residue 1
Atom CA of residue 1
P5846
Atom N of residue 1
P2
PairScore 8
P5451
Model 396
phys
P4414
PairsRestraint 7
P4411
MovedSingletonContainer5
ClosePairContainer
SingletonScore 11
P5923
UnaryFunction17
P4104
P3778
P6069
P8559
P6067
P8558
P8557
P8555
P8553
P2807
P8552
P8551
P6763
P2801
P8546
P3758
P8543
P2028
P6048
P8540
P2027
P8539
P8536
Restraint 12
P8535
P7839
P2021
P6042
P8534
P8532
P6746
P7841
P3742
P2016
P8528
P2015
P8527
P2014
P8526
P8525
P8522
P8521
Atom NH2 of residue 42
P8519
P2768
P2002
P8515
P3727
P3722
P8513
P8512
P8510
P8509
P8508
P8504
P2756
Atom CA of residue 21
Atom H of residue 18
P8503
P2754
P8502
P6007
P8501
P3707
P7206
P4591
Atom O of residue 20
Atom HD13 of residue 73
P8493
P7793
P4229
P1978
P5996
P8491
P3701
P8489
Atom HD2 of residue 19
P8488
P2737
Atom HG2 of residue 19
P8486
P8485
P8483
P6695
P1970
Atom O of residue 73
P6686
P8482
P6693
P6684
P8481
Restraint 2
P3689
P8478
P132
P8477
P8476
P5979
P8475
P8473
P8472
P1928
P2722
P5976
P8471
P7771
P8469
P3671
P3668
P8462
P8461
P8460
P1
P8459
P8458
P7543
P8454
Atom CB of residue 15
P8452
P8451
P8450
P6656
P6647
P8445
P6654
P6645
P8444
P3651
P1931
P8441
P8439
P7523
Atom HD2 of residue 4
P8435
P8434
P2681
P7098
P8433
Model 61
P8432
P2
P8428
P2674
P108
P8426
P3633
P3631
P1912
P8423
P8422
P8421
P8420
P8419
P2663
P7714
P1904
P8416
P2657
P8410
P3616
P1307
P3614
P8404
P8403
P7700
P8401
P7487
P8400
P7485
P8399
P2644
P7480
P5894
P8394
P6601
P92
P6592
P8393
P95
P6599
P7687
P8389
P4118
P8388
P4114
P8384
P8383
P8382
Atom HD23 of residue 73
P8380
Atom HA2 of residue 10
P2622
Atom H of residue 9
P8377
P8374
P3
P8373
P7066
Atom HB3 of residue 73
P8372
P8370
P2613
P8369
P8365
P8364
P6566
P8357
P7048
Atom HE of residue 72
P7652
P8356
P2596
P8355
P8352
P8351
P7433
P5847
P8350
P2590
P8349
P8348
P8347
P8346
P8345
P8344
P7426
P5840
P8343
Atom HG22 of residue 7
P3543
Atom HG21 of residue 7
P8340
P2580
P8339
P8338
P7632
Model 56
P8337
P8332
P7413
P5827
P8331
P8330
P8327
P8326
P7407
P5821
P8325
P3526
Atom HZ2 of residue 6
P3523
P8324
P3524
P8322
Atom H of residue 74
Atom HE2 of residue 6
P8321
P7615
P8320
P7613
P8319
P8318
P3518
P3515
P8317
P8314
P7607
P8313
P7394
P8312
P8359
P7392
P8311
Atom CB of residue 6
P1951
P8309
P8308
P8307
P8304
P8302
P0
P8301
P8300
P7031
P3293
P3488
P8299
P8297
P8296
P8295
P6499
P6497
P8293
P8290
P7371
P8289
P1931
P8287
P8282
P5777
P8281
P7361
P6938
P8279
P8278
P8277
P8334
P8275
P5202
P5657
P8393
P8274
P6593
P8272
P6071
P2179
P8271
P11893
P3492
P8270
P8269
P8268
P3489
P6067
P8267
P8263
P8261
P8260
P1876
P8256
P8250
P8249
P8248
P8246
P8242
P6192
P8241
P8239
P8238
P6894
P8236
P8235
P5017
P8233
P5568
P8232
P6838
P8217
P8215
P8214
P8210
P8208
P8207
P2051
P8205
P8204
P8203
P4487
Atom HD13 of residue 43
P6786
P8165
P6785
P8164
P8141
P124
P8088
P6199
P3195
P106
P6198
P3194
P7972
Atom HG2 of residue 33
P3141
P7971
P3098
P7928
P7927
P6509
P7888
P6508
P7887
P6504
P7883
P6503
P8504
P7882
Atom CG of residue 43
Atom HB3 of residue 28
Atom HG2 of residue 24
P7880
P7879
P7878
Atom HA of residue 24
P7877
P7876
Atom H of residue 28
P7875
P12816
P7514
P1859
P3037
P7874
LYS
P6047
P165
P7873
P7841
P7836
P7835
Atom HB3 of residue 21
P7826
P7824
GLN
P4094
P2993
Atom H of residue 21
P7823
P2994
P4095
P181
THR
P4092
P2991
P7821
Atom CA of residue 26
P4091
P2990
P7820
P2992
P4093
P4090
P2989
P7819
P4089
Atom N of residue 26
P2988
P7818
P4087
P2986
Atom CG of residue 40
P7816
Atom HA of residue 25
P4084
P2983
P7813
Atom O of residue 21
P4081
P2980
P5975
P8436
P7810
P2981
ListSingletonContainer206
P4082
P4079
P2978
P7808
ASP
P4078
P2977
P7807
P7772
P7771
P7770
P7769
P7768
P7767
Atom HG1 of residue 22
P8394
P5931
P7766
P7765
P7764
P1323
P7762
P8391
Atom HD13 of residue 36
P7761
P7760
P7758
Atom C of residue 9
P7757
P6362
P7741
P7731
Atom HG2 of residue 34
P7730
P2902
P4003
P7729
ListSingletonContainer189
P3353
P7725
P3352
P7724
P3351
P7723
P3350
P7722
P3347
P7719
P3345
P7717
P8347
P3344
P7716
P3343
P7715
P3342
P7714
P3341
Atom HZ1 of residue 33
P7713
P3339
P7711
P3338
P7710
P6848
P7709
P7703
P7702
P2873
P3974
P8332
P7700
P5869
Atom CB of residue 33
P7348
P3817
P5860
P7695
P5868
P7347
P3816
P8326
P5859
P7694
P58
P5867
P13548
P7346
P3815
Atom NZ of residue 6
P5858
P7693
P5865
P7344
P3813
P7691
Atom HG2 of residue 6
P5864
P7343
P3812
P7690
P7697
P5862
P3810
P7688
P7696
P5861
P3809
Atom HB of residue 17
P7687
P3808
P7686
P3806
P7684
P7692
P5857
P3805
P121
P7683
Atom C of residue 2
P3804
P7682
Atom HB3 of residue 32
P3801
P7679
P3800
P7678
P13532
P3799
P7677
P13531
P3797
P7675
P3796
P7674
Atom HG21 of residue 9
P3795
P7673
P3794
P7672
P3793
P7671
Atom N of residue 5
P3791
P7669
P3790
P7668
P3789
P7667
P3788
P53
P7666
P3787
P7665
P3786
Atom CB of residue 16
P8295
P7664
P3785
P7663
P3784
P7662
P3783
P7661
P3782
P7660
P7659
P6796
Atom N of residue 31
P7658
P3777
P7655
P3775
Atom HD12 of residue 15
P7653
P13509
P3774
P3772
P7650
P3770
Atom HA of residue 15
P7648
Atom HA of residue 29
P3767
P7645
P3765
P7643
P3763
Atom CB of residue 15
P7641
P3762
P7640
P3760
P7638
P3758
P7636
P3756
P7634
P3755
P7633
P3753
P7631
P3752
P8264
P7630
P3751
P7629
P3750
Atom H of residue 14
P7628
P3749
P7627
P3747
P7625
P3746
P7624
P3744
P7622
P3741
P7619
P3738
Atom HD11 of residue 13
P7616
P3737
P7615
P8521
P3736
P7614
Atom CG2 of residue 12
P3735
Atom HG21 of residue 13
P7613
P8247
Atom C of residue 29
P3732
P7610
P3731
P7609
P3730
P7608
P2
P3728
P7606
P3726
P7604
P3724
P6
P7602
P3721
P7599
P3719
P2
P7597
P7594
P7593
P7591
P2529
Atom HZ1 of residue 11
P7589
P7587
P7582
P39
P7580
P7579
P7578
P195
P7577
P7575
P7573
Atom CA of residue 27
P7572
P2513
P7571
Atom HG22 of residue 22
P7570
P7569
P7568
P7566
P7565
P7564
P5727
P7562
Atom HD22 of residue 8
P7555
P7554
VAL
P7553
Atom HD13 of residue 8
P7552
Atom CD1 of residue 23
Atom HA of residue 1
P2707
P3808
P7545
Atom CB of residue 25
P3790
P2689
P7527
P2684
P3785
P7522
P3778
P2677
P7515
Atom HG22 of residue 23
P2674
P3775
P7512
P2672
P3773
P7510
P3768
P2667
P7505
Atom CB of residue 23
Atom HH21 of residue 74
Atom HB2 of residue 42
P2642
P24
P3743
P7480
P3731
P2630
P7468
P3730
P2629
P7467
P7460
P7459
P7458
Atom C of residue 20
P7457
Atom N of residue 20
Atom HD11 of residue 15
P7454
P7453
P7452
P7451
P7450
P7449
P7447
P183
P7446
P7444
P7443
P3715
P2614
P2394
Atom HG22 of residue 5
P7441
P2616
P3717
P6061
P7440
Atom HG12 of residue 5
P16
P7438
P6498
P7435
P7434
P7433
P7431
P7430
P7429
P7428
P7427
P7426
P7425
P7424
P2377
P7422
ListSingletonContainer478
P7419
P7418
P7417
P7416
P7415
P7414
P7413
P7412
P7410
P2364
P7408
P7406
P2572
P7404
P3645
P7372
P3418
P7369
P3417
P7368
P3415
P7366
P3414
P7365
P2329
P8264
P3411
P7362
P2496
P3410
P7361
P3409
P7360
P3408
P7359
P3806
P3406
P7357
P3405
P7356
P3402
P7353
P3401
P2988
P5526
P7350
P0
P7349
P7347
ListSingletonContainer105
P7346
P7344
P7339
P7338
P7337
P8235
P7336
P7335
P2297
P7334
P2294
P7331
P7330
P7329
P7328
P140
P7327
P7326
P7324
P7322
P7321
P7318
ListSingletonContainer100
P7317
bonded
P7316
P7315
P7314
P2278
P7313
P7312
P7310
P7309
P7307
P7306
P132
P7305
P7304
P7303
P7301
P7300
P7298
P7297
P7296
P7295
P7294
P7292
P7291
P2915
P7288
P3336
P7287
P3558
P7285
P3557
P7284
P3556
P7283
ListSingletonContainer95
P3555
P7282
P3554
P7281
P3552
P7279
P125
P3551
P7278
P2253
P3548
P7275
P2250
P3545
P0
P7272
P3543
P7270
P3542
P7269
P3540
P7267
P3539
P7266
P3538
P7265
P5895
P3537
P7264
P3536
P7263
P6325
P7262
P3534
P7261
P3533
P7260
P7258
P3529
P2226
P7256
P7253
P7252
P7251
P7250
P7249
P7248
P2218
P7247
P114
P2225
P5420
P7246
P2871
P7244
P2869
P7242
P109
P2868
P7241
P2867
P7240
P2866
P7239
P2865
P7238
P2863
P7236
P2862
P7235
P2860
P7233
P2859
P7232
P2857
P7230
P2856
P7229
P2853
P7226
P2198
P2852
P7225
P2851
P7224
P2850
P7223
P2849
P2195
P7222
P2847
P7220
P2846
P7219
P2845
P7218
P2844
P7217
P2842
P7215
P40
P2840
P7213
P99
P2839
P7212
P2837
P7210
P2836
P7209
P2835
P7208
P2834
P7207
P122
P2833
P7206
P2832
P7205
P2831
P2179
P7204
P2827
P7200
P2826
P7199
P2825
P7198
P2824
P7197
P2823
P7196
P2822
P7195
P2821
P7194
P7201
P2828
P5366
P2819
P7192
P2818
P7191
P2166
P2817
P7190
P2816
P7189
P2815
P7188
P2814
P7187
P2813
P7186
P7183
P2159
P7182
P7181
P7180
P8529
P7179
P5806
P8535
P7178
P7177
P87
P7176
P7175
ListSingletonContainer75
P7174
P7173
P7172
P7170
P7169
P3441
P7168
P2153
P5341
P6232
P7167
P7166
P9778
P7163
P5790
P8520
P9777
P7162
P9775
P2139
P7160
P9774
P7159
P9773
P7158
P9771
P7156
P9770
P7155
P7152
P9765
P31
P7150
P9763
P7148
P9762
P7147
P9759
P7144
P9758
P7143
P9757
P7142
P9756
P7141
P9753
P7138
P9752
P7137
P7136
Atom CD1 of residue 59
P6200
P7135
P2761
P7134
P7133
P7132
P7131
P7130
P7129
P7128
P7125
P7123
P7122
P7120
P9734
P7119
P9733
P7118
P9732
P7117
P9731
P7116
P9730
P7115
P9727
P1783
P7112
P9726
P7111
P9725
P7110
P9723
P8462
P7108
P9720
P7105
P9718
P7103
P9717
P7102
P9716
P7101
P9715
P7100
P9714
P59
P7099
P9713
P7098
P9712
P1769
P7097
P9711
P7096
P7093
P3352
P7090
P3351
P7089
P9701
P3348
P7086
P9696
P1754
P3343
P7081
P3330
P7068
P3328
P1740
P7066
P3324
P7062
P3320
P7058
P1726
P3313
P7051
P2669
P7042
P3089
P7041
P3088
P7040
P1712
P3298
P7036
P3290
P7028
P3283
P1698
P7021
P1684
P3268
P7006
P3266
P7004
P3263
P7001
P3262
P7000
P8363
P6995
P8361
P6994
P6993
P6992
P6991
P1669
P6990
P6989
P6988
P6985
P6984
P6983
P6982
P6981
P6980
P6979
P6978
P6976
P1655
P6975
P6973
P6971
P6970
P6969
P8336
P6968
P6967
P6966
P6965
P6964
P6963
P6962
P6961
P1641
P6960
P6943
P6941
P6940
P6939
P6938
P2570
P8306
P6937
P5107
P2558
P6932
P2557
P6931
P1612
P6929
P6927
P6925
P6924
P6923
P6921
P6920
P6919
P6916
P6915
P6913
P6912
P5975
P6910
P6909
P6907
P6906
P6905
P6904
P6902
P6901
P6900
P1584
P6899
P6898
P6897
P6894
P5513
P6892
P6891
P6888
P6886
P6885
P6884
P1569
P6883
P6882
P6881
P5045
P6879
P5044
P6878
P6877
P6876
P6875
P6874
P6873
P6870
P5931
P6866
P6864
P6863
P6862
P6861
P6860
P6859
P2501
P6858
P6856
P2498
P6855
P6854
P1541
P6853
P6852
P6849
P6848
P6847
P6846
P6845
P6844
P6843
P6841
P1527
P6838
P2482
P6837
P3107
P9450
P6835
P3106
P1530
P3103
P2479
P9449
P1523
P6834
P6833
P6832
P6831
P6830
P6829
P6828
P5001
P6826
P5000
P6825
P6824
P1520
P2469
P1513
P6823
P6822
P6821
P1928
P6819
P6818
P6817
P6815
P6814
P6813
P6811
P6810
P8559
P6809
P1499
P6808
P6803
P2450
P6802
P6800
P3054
P6782
P1443
P5369
P6748
P5368
P6747
P5367
P6746
P6743
P6742
P4
P6741
P6740
P6739
P9361
P2392
P6738
P6736
P6734
P1429
P6733
P6732
P6731
P4905
P3001
P1425
P6729
P6728
P1593
P2766
P8474
P6718
P2764
P5337
P6716
P431
P2761
P6713
P2760
P5333
P6712
P2759
P3219
P2758
P6710
P2757
P6709
P1816
P2756
P6708
P2755
P6707
P2753
P6705
P1579
P2751
P6703
P2750
P1400
P6702
P2749
P5322
P6701
P2748
P6700
P9321
P2356
P2746
P6698
P2007
P2744
P6696
P2742
P6694
P2741
P6693
P2738
P6690
P2737
P6689
P1565
P2736
P6688
P2734
P6686
P2733
P6685
P2732
P6684
P2729
P6681
P8025
P417
P1992
P2728
P6680
P2727
P2725
P6677
P3187
P2723
P6675
P2722
P6674
P1551
P2721
P6673
P2720
P6672
P2719
P6671
P2718
P1368
P6670
P2717
P6669
P2713
P6665
P2712
P6664
P2324
P2711
P6663
Model 185
P2708
P6660
P2707
P6659
Atom CA of residue 35
P1537
P2706
P6658
P2705
P4822
P6657
Atom CB of residue 35
P2704
P6656
P2703
P1354
P6655
P2702
P6654
P2701
P6653
P2700
P6652
P2699
P6651
P2698
P6650
P2697
P6649
P5707
P2696
P8393
P6648
P403
P2695
P2308
P2693
P6645
P2692
P3158
P1523
P2691
P6643
P11523
Atom CD2 of residue 17
P2689
P8387
P6641
P11522
P2688
P6640
P11520
P2686
P6638
P11519
P2685
P6637
P11518
P2684
P6636
P11516
P2682
P6634
P11515
P2681
P6633
P11514
P2680
P6632
P11512
P2678
P6630
P11510
P1509
P2676
P6628
P2674
P11506
P2672
P5245
P6624
P2671
P6623
P6622
P2285
P6620
P6619
P6618
P6617
P6616
P6614
P6612
P6611
P6610
P6608
P6607
P6605
P6603
P6602
P8240
P6601
P6598
P6596
P6595
P5215
P6594
P6592
P2259
P6591
P6590
P2256
P6588
P6586
GeneralizedGuinierPorodFunction 55
P6584
P8355
P6583
P6582
Atom O of residue 25
P6581
P6580
P6579
P6578
P4752
P4751
P6575
P6574
P6573
P6571
P6568
P6567
P6566
P6565
P6564
P6563
P6562
P6561
P6559
P6557
P6554
P6551
P6550
P6549
P6548
P6547
P6546
P6545
P8318
P6544
P6543
P6542
Atom HA of residue 3
P6541
P6539
P6536
P2208
P6535
P6534
P6533
Atom N of residue 52
P5598
P6532
P6531
P6530
P6529
P6528
P6527
P8301
P6526
P6524
P8294
P6522
P8293
P6520
P2187
P6519
P6517
P6516
P6513
P6512
P6511
P6508
P4680
P6504
P8284
P5132
P2179
P6503
P8275
Atom HE1 of residue 45
P6502
P4676
P4674
P4665
P6499
P6498
P6506
P4672
Atom CG of residue 25
P6496
P4669
P4668
P9108
P6492
P6491
P6490
P6489
P5554
P6488
P6487
P6485
P5113
P2162
P6484
P6482
P5110
P8264
P2159
P6481
P6479
P6478
P6476
P6475
P6474
P6473
P8239
P6472
Atom O of residue 22
P6471
P8247
P6470
Atom HG3 of residue 16
P6468
P6467
P6466
P2138
P6465
P6464
P5092
P2143
P6463
P6461
P8237
P6459
P6457
P6456
P6455
P6454
P6453
P6451
P6450
P2545
P6449
P6448
Atom CA of residue 16
P6447
P2542
P6446
Atom N of residue 76
P6445
P2541
P6444
P6443
Atom N of residue 12
P6442
P6441
P6438
P6437
P6436
P6435
P9038
Atom CA of residue 16
P9050
P6434
P5499
P6433
P6424
P4
P6422
P6421
P6420
P6419
P6416
P6414
P9026
P6410
P6409
P2508
P6408
P6407
P6406
P2505
P6405
P6402
P6401
P6400
Atom HG23 of residue 22
P6399
P6398
P6397
P1792
P6395
P6394
P6393
P6392
P6391
P6390
P6389
P6388
P6387
P6385
P6384
P6382
P1778
P6380
P6379
Atom N of residue 70
P6378
P291
P5443
P8993
P6377
P7988
P6375
P6374
P6373
P6372
P6371
P6370
P6369
P6368
P6367
P6366
P2903
P2014
P1763
P1756
P2469
P6365
P6360
P6357
P6356
P6355
P6354
P6353
P2609
P6350
P2888
P1999
P1748
P2596
P6337
P2595
P6336
P1734
P2585
P6326
P6320
P4495
P5385
P4486
P6319
P6317
Atom N of residue 118
P6316
Atom C of residue 76
P6315
P6314
P6313
Atom N of residue 76
P6312
Atom N of residue 117
P2420
P6311
P6310
P6309
P6306
P6305
P1706
P6303
P6302
Atom OE1 of residue 16
P6301
P6300
P5365
P6299
P6298
P6297
P6296
P6283
P6295
P6294
Atom N of residue 15
P2552
P6291
P6290
P6288
P6287
P6285
P6284
P6282
P6281
P6280
Atom O of residue 41
P2391
P6279
P6278
P6277
P2388
P6276
P2393
P1678
P8496
P6273
P6272
P6271
P6270
P6269
P6268
P8490
P6267
P6266
P6265
P6264
P6263
P2818
Atom CD1 of residue 73
P6262
P6261
Atom O of residue 69
P6260
P1664
P5319
P8482
P2372
P6258
P6253
P5318
P6252
P5298
P4851
P6232
P5297
Atom O of residue 36
P4850
P6231
P5296
P4849
P6230
P1636
P11117
P5295
P1313
P5294
Atom CA of residue 66
P6228
P5292
P2343
P6226
P5291
Atom OE2 of residue 35
P6225
P6224
P8444
P4837
P6218
P4869
P6217
P4868
P6216
P6215
P1621
P1614
P6213
P8438
P6212
P6211
P6209
Atom CB of residue 34
P6208
P6207
P6206
P6205
P6203
P8427
P2320
P4821
P6201
P6200
P6199
P1607
Atom HA of residue 70
P6197
P6196
P6195
P6194
P5259
P6193
P5258
P6192
P5257
P6191
P5256
P6190
P2747
P5255
P6189
P1314
P5254
Atom C of residue 23
P6188
P5253
P6187
P5252
P6186
P5251
P6185
P5250
P6184
P1593
P5249
P208
P5247
P6181
P6180
P7791
P6178
P6177
P5242
P6176
P5241
P6175
P205
P5240
P6174
P6173
P5238
P6172
P5237
P6171
P5236
P6170
Atom N of residue 69
P5235
P6169
P5234
P6168
P1578
P5233
P5232
P6166
P5230
P6164
P5229
P6163
P5227
P2284
P6161
P5228
Atom HA of residue 68
P5225
P6159
P2718
P5224
Atom CD of residue 68
UnaryFunction31
P6158
P5222
P6156
P5221
P6155
P5220
P6154
Atom HG21 of residue 7
P5219
P6153
Atom CZ of residue 68
P1564
P5217
P6151
P11038
P5216
P8766
P6150
P8765
P6149
P6148
P191
P8376
P6147
P5212
P6146
Atom HD23 of residue 67
P8375
P6145
Model 133
P8374
P6144
P8373
P6143
P6142
P6141
P8545
P6140
P8544
P6138
P1550
P6136
P6123
P1978
P5201
P6135
P6134
P6133
P8538
P6132
P6131
P6130
P6128
P6126
P6125
P6124
P1536
P1529
P6122
P6121
P7721
P6108
P1964
Atom HG1 of residue 66
P8527
P6120
P6119
P6118
P6117
P6116
P7728
P6115
P8730
P7727
P6114
P8729
P7726
P6113
P0
P7725
P6112
P7724
P6111
P7723
P6110
P7722
P6109
P8339
Atom CA of residue 65
P8338
P7719
P6106
P7706
P6093
P1950
P7718
P6105
P7716
P6103
P7715
P6102
P7714
P6101
P7713
P6100
P6099
P7711
P6098
P8713
P7710
P2226
P6097
P7707
P2223
P6094
P8490
P7694
P6081
P1948
Atom HB3 of residue 64
P2228
P1508
P7705
P1501
P6092
P7703
P6090
P7702
P6089
P7701
P6088
P7700
P6087
P6086
P8493
P6085
P7697
P6084
P8492
P7696
P6083
P7695
P6082
P7693
P6080
P7680
P6067
P1935
P7692
P6079
Atom N of residue 64
P7691
P6078
P1494
P1487
P7690
P6077
P2207
P7689
P6076
P7687
P6074
P7686
P6073
P7684
P6071
P8302
P8479
P7682
P6069
P7681
P6068
P8300
P7679
P6066
P7678
P6065
P2630
P5130
P6064
P6063
P6060
P6059
P6058
P6057
P2187
P2120
P6054
P2184
P6051
P6049
P6048
P1
P6047
P4220
P1465
P1458
P6046
P6045
P2111
P6044
Atom O of residue 66
Atom NE2 of residue 62
P7656
P6043
P7655
P6042
P7653
P6040
P8655
P6039
P6038
P6036
P6035
P6034
P6033
P2167
P6032
P6031
Model 129
Atom HD11 of residue 61
P2172
P1450
P2164
P6029
P6027
P6025
P6024
P6023
P6022
P6021
P6020
P6019
P6018
P6017
P6016
P1436
P6014
P6009
P8421
P6008
P5973
P5972
P5971
Atom C of residue 59
P5970
P4598
P1393
P1386
P5969
P5968
Atom N of residue 59
P5967
P5966
P8380
P5965
P5964
P5963
P1789
P5962
P5961
P5960
P5958
P5957
Atom C of residue 58
P2480
P5956
P8571
P5955
P4583
P1379
Atom N of residue 87
P5954
P2508
P7983
P2501
ASN
P2458
P5932
P5930
P5929
P5926
P5925
P5924
P5923
Atom CB of residue 20
P1346
P5921
P5920
Atom O of residue 83
P1344
P5919
P5918
P5917
P4534
P5912
P5910
P8328
P5909
P4530
P5908
P1334
P8327
P5907
P5906
P5905
Atom CG of residue 59
Atom CA of residue 55
P5904
Atom CA of residue 80
P5903
P8321
P1732
P5901
P5900
Atom HH12 of residue 54
Atom CG of residue 58
P2428
P5899
P8513
P5897
P5894
P5893
P5892
P5891
P5890
P8309
P5889
P8308
P5887
Atom NH1 of residue 54
P1718
P5886
P5884
P5882
DihedralSingletonScore8
P5880
P5879
P5878
P5877
P8492
P5876
P8491
P5875
P5873
P1704
P5871
P5870
P5869
Atom NZ of residue 11
P5867
P5866
P5865
P8284
P5864
P5863
P5862
P5861
P5859
P5858
P5857
P1690
P5856
P7906
P5855
P10744
P7905
P5854
P5852
P5851
P5848
P5847
P5844
P5843
P5842
P1676
P5841
P5840
P5839
P5836
P5834
P5833
P5832
P5831
P5830
P5829
P5828
P5827
P1662
P5826
P5825
Restraint 34
P5822
P2406
Atom CD1 of residue 50
P5821
P5820
P5819
P8434
P5818
P2354
P8433
P5817
P5816
P5815
P2351
P5814
Atom CB of residue 72
P5813
P5812
P1648
P5811
P5810
Atom HG2 of residue 49
P5809
P5807
P5806
P5805
P5804
P5802
P3965
P2027
P5769
Atom CA of residue 51
Atom HA3 of residue 47
P5768
P5767
P5765
P1604
P5764
P5763
P5762
P3925
P5759
P5758
P5757
P5756
Atom H of residue 46
P5755
Atom N of residue 64
P5754
P5752
P5751
P5749
P2485
P1589
P5748
P5747
P5746
P5744
Atom CB of residue 63
P5743
Atom HG3 of residue 49
Atom HB2 of residue 45
P5741
P5740
P5739
P5738
P5737
P5736
P1575
P5733
P8358
P2480
P5732
P5729
GLN
Atom N of residue 45
P2465
P5726
P5725
P5724
P5723
P5722
P5721
P5720
P5718
P1560
P5717
P5715
P5712
P5711
P5710
P5709
P2255
P5708
P5706
P5705
P5703
P5702
P2442
P1545
P5701
P5700
P7740
P2245
P5697
P5696
P5695
P5694
P5693
Atom O of residue 59
P5692
P5691
P5690
P5689
P3853
P2440
P5688
P5687
Atom CB of residue 58
P5685
P8201
P1328
P5684
P5682
P5681
Atom N of residue 58
P5680
P8291
P5679
P8289
P5677
P8288
P5676
P5674
P5673
P1517
P5671
P5670
P5667
P5666
P5665
P5664
P2213
P8274
P5662
P8272
P5660
P5658
ARG
P8269
P7270
P5657
P5656
P1502
P5655
P5654
P5652
P6996
P2203
P1498
P5651
P5647
P5646
P5644
Atom HD23 of residue 43
P2196
P5643
P5642
P5641
P5640
P5638
P2394
P5637
P1484
P5636
P5635
P5634
Atom HG3 of residue 40
P5633
P5632
P7244
P5631
P7243
P5630
P2377
P7242
P5629
P7241
P5628
P7240
P5627
P7239
P5626
P7238
P1474
P5625
P7237
P5624
P7236
P5623
P7234
P5621
P7233
P5620
P7232
P5619
P7231
P5618
Atom CB of residue 65
P7230
P5617
P7229
P5616
P7228
P5615
P2372
P7226
P5613
P7225
P5612
P2167
P7224
P5611
P2369
P7223
P1460
P5610
P7222
P5609
Atom CB of residue 39
P2164
P7221
P5608
P2169
P7657
P7219
P5606
P7218
P5605
P7217
P5604
P7216
P5603
Atom O of residue 84
P7214
P5601
P7213
P5600
P7212
P5599
P5598
P1448
P5597
P5596
P5595
P1445
P5594
P5592
P5590
P5589
P8214
P2349
P5588
P5587
P2144
P5586
P5585
P5584
P5583
P5581
P5580
P1431
P5579
P0
P5578
P5577
P2328
P5575
P5573
P2325
P5572
P5571
P8196
P2333
P5570
P7182
P5569
P7181
P5568
P7180
P5567
P7179
P5566
Atom HG22 of residue 36
P7178
P5565
P7177
P1417
P5564
P7176
P5563
P7175
P5562
P7173
P5560
P7172
P5559
P7171
P5558
P7170
P5557
P7169
P5556
P7167
P5554
P5553
P1673
P5552
P5551
P1403
P5549
P5548
P5547
P5545
Atom CG of residue 11
P5544
P5543
P5542
P5541
P2296
P5540
P5539
P1659
P5537
P5536
LYS
P2301
Atom HA of residue 34
P5535
P5532
P5530
P5529
P5528
P5527
Atom O of residue 127
P5526
P5525
P5524
CYS
P5523
P1645
P2280
P5522
Atom HZ2 of residue 33
Atom HB of residue 9
P5521
P5520
P5518
P1371
P5517
P5516
P5515
P5511
Atom HA of residue 33
P5510
Atom CB of residue 125
P5509
P5508
P1631
P5507
P2275
P5506
P5505
P5504
P4116
P5498
Atom HB2 of residue 32
P4114
P5496
P5495
P5494
Atom CD1 of residue 8
P1617
P5492
P5491
P5489
P2256
Atom O of residue 8
P5488
P5486
P5484
P5483
P5481
P7093
P5480
P5479
Atom N of residue 123
P5478
P1603
P5477
P5476
P5474
P5472
P5470
P5468
P5467
Atom O of residue 25
P5466
P1589
P5462
P5461
P5458
P5455
P5454
P5453
P5452
P5451
P5450
Atom CD of residue 6
P5449
P5448
P2212
P5447
P2040
P1574
P5446
P8468
P5444
P5443
P5440
P5439
P5438
P5437
P5436
P5435
P5433
P5432
P5430
P1549
P5419
Atom H of residue 39
P5418
P2194
P5417
P5365
P5364
Atom OE2 of residue 24
P5339
P7850
Atom HZ3 of residue 27
P7386
P6686
P4402
P5335
P7849
P7385
P1948
P6685
P4401
P5334
P5333
P5324
P7833
P7369
P5318
P1922
P7832
P7368
P5317
P1921
P7831
P7367
P5316
P5303
P2022
P1920
P7830
P7366
P5315
P7937
P2032
Atom CG of residue 60
P1919
P7829
P7365
P5314
P1917
P7827
P7363
P5312
P7362
P5311
P7936
P1783
P7361
P5310
Atom HG22 of residue 26
P7360
P1910
P1445
P5308
P7358
P5307
P4895
ILE
P7357
P7917
Atom HG11 of residue 5
P5306
P7356
P5305
P7353
P5302
P5289
P2009
P7352
P5301
P7923
Atom HB2 of residue 59
P5300
P5299
P1762
P5298
P5296
P7921
P1769
P5295
P5294
P1431
P5293
P5291
P5290
Atom HA3 of residue 75
P5288
P1737
P5261
P5260
P6599
P4833
Atom HG3 of residue 18
P5245
P1692
P5212
P7828
P8213
P5211
P7827
P2079
P8212
P5210
P7826
P8211
P5209
P7825
P8210
Atom NE of residue 54
P5208
P7824
P8209
P5207
P7823
P8208
P1676
P5206
P7822
P8207
P5205
P7821
P8206
P2072
P5204
P6812
P5199
P6811
P5198
P6810
P5197
P6809
P5196
P6808
P5195
P6807
P5194
P1375
P7250
P6806
Atom HA of residue 19
P5193
P7249
P6805
P5192
P7248
P6804
P5191
Atom HB3 of residue 52
P6803
P1661
P5190
Atom HD13 of residue 15
P6802
P5189
P7239
P6801
P2057
Atom HA of residue 52
P5188
P1668
P6800
P5187
P6799
P5186
P6796
P5183
P6795
P5182
Atom H of residue 15
P6794
P5181
P6793
P5180
P6792
P5179
Atom O of residue 61
P6791
P5178
Atom OD1 of residue 52
P6790
P5177
P7238
Atom HG3 of residue 51
P6789
P5176
P7236
P6787
P5174
P6786
P5173
P4123
P1654
P6785
P5172
P4234
P6784
P5171
P4233
P6783
P5170
P1781
P4232
P5169
P4231
P5168
P1775
Atom HA of residue 14
P4230
P6780
P5167
P6779
P5166
Atom CB of residue 51
P6778
P5165
P7210
P6777
P5164
P7209
P2040
P6776
P5163
P6775
P5162
P6774
P5161
P1633
P6773
Atom CA of residue 9
P5160
P6772
P5159
Atom HD22 of residue 50
P6771
P5158
P0
P1640
P6770
P5157
P6757
Atom HD12 of residue 3
P6769
P5156
P6768
P5155
P6767
P5154
P6765
P5152
P6764
Atom HB3 of residue 50
P5151
P5150
P5149
P3311
P5147
P5146
P5145
P5143
P5142
Atom HD12 of residue 8
P1625
P5141
P5140
P5139
P5138
P5137
P5136
P5135
P5134
P5132
P5131
P5130
P5128
Atom HB3 of residue 49
P5125
P5124
P5122
P5121
P5120
P5119
P5118
P7733
P5117
P5116
P5115
P2113
P5114
P1589
P5113
P5112
Atom OG1 of residue 7
P3730
P1596
P3727
Atom HZ3 of residue 48
P5110
P5109
P5105
P5104
P5103
P5102
Atom CD of residue 48
P5101
P5100
P1575
P5098
P3714
Atom H of residue 48
P5097
P3715
P1582
P5095
P5094
P4229
P5093
P5092
P5091
Atom C of residue 6
P5090
P5089
P5087
P1315
P1827
P7212
P1820
P5086
P3702
Atom HA3 of residue 47
P5085
P2085
P0
P5084
P1561
P5083
P5082
P3700
P1568
Atom HD12 of residue 13
P5080
P5079
Atom HG22 of residue 12
P5078
P5077
P5076
Atom OE1 of residue 18
Atom CA of residue 46
P5075
P5074
P5072
P1765
Atom HA of residue 13
Atom CA of residue 13
P1806
P5071
P5070
P3674
P1942
P2071
P5069
P1547
P5068
P5067
P3685
P1554
P5065
P5064
P5063
P5062
P5061
P5060
P3676
Atom HB3 of residue 45
P5059
P1936
P5058
P5057
Atom HB3 of residue 11
P1792
P5056
P3660
P1929
P5055
P2057
P5054
P1731
P1990
P1533
P5053
P5052
P3670
P1540
P5050
P5049
P3665
Atom CB of residue 45
P5048
P5047
P5046
P5043
P5041
P1914
P5039
P5038
P5036
P5035
P1525
P5034
Atom HB of residue 44
P5033
P5032
P5031
P5030
P5029
P2038
P5028
P1907
P5027
P1900
P5024
Atom HD12 of residue 43
P5023
P1504
P5022
P5021
P5020
P1511
P5019
P5018
P5017
P5016
P2024
P5013
Atom CB of residue 43
P1893
P5012
P5011
P1886
P5009
P5008
P1490
P5007
P5006
P8230
P7130
P4146
Atom CD1 of residue 8
Atom HH22 of residue 42
P5005
P1497
P5004
P5003
P2014
P5002
P8001
Atom HE of residue 42
P5001
P2012
P5000
P4999
P4998
P2009
P4997
P4995
P1871
P4993
P8217
Atom HB of residue 7
P4992
P4990
P8214
Atom H of residue 7
P4119
P4989
P1482
P4988
P4987
P4986
P1330
P4985
P4984
P4983
P1995
P4982
P4980
P1857
P4978
P1461
P4976
P1468
P4095
P4973
P4094
P4972
P4093
P4971
P1713
P4092
P7972
P4970
P7551
P4091
P4969
P7550
P4090
P4968
Atom H of residue 6
P4089
P1981
P4967
P4088
P4087
P4965
P1843
P4085
P4963
P4084
P4962
P8186
P7086
Atom HB2 of residue 6
P4083
P4082
P4960
P4081
P4959
P1454
P4080
P4958
P4079
P4957
P4078
P4956
P6374
P1699
P4077
P4955
P6373
P4076
P4954
P6372
P4075
P4953
P6370
P4073
P1836
P4951
P6369
P4072
P4950
P6367
P4070
P4948
P6366
P4069
P4947
P1440
P6362
P4065
P4063
P4941
P1685
P4062
P4940
P4061
P4939
P4060
P4938
P4059
P1953
P4937
P4058
P4936
P4057
P4935
P4055
P4933
P4054
P4932
P4053
P4052
P4930
P4051
P1426
P4050
P4928
P4049
P4927
P4048
P4926
P4046
P4045
P4923
P4043
P4921
P4042
P4920
P4040
P4918
P4039
P4917
P7498
P4038
P4037
P4915
P4036
P4914
P1412
P4035
P4913
P4034
Atom CD of residue 38
P4033
P4911
P4032
P4030
P4908
P4029
P1925
P4907
P4028
P4906
P4027
P4905
P4025
P4903
P4023
P4022
P4900
P4021
P1398
P4020
P4898
Atom HB2 of residue 37
P4019
P4897
P4018
P4017
P4895
P4016
P4894
P4015
P4893
P7892
P4892
P4890
P4889
P3045
Atom HD11 of residue 36
P4884
P3046
P1383
P4882
P4881
P4880
P6992
VAL
P4879
P4878
P4877
P2
P1896
P4876
Atom CA of residue 36
P4875
P4874
P4872
P3026
P7873
P4871
P4870
P8062
P6962
P1923
P4847
P4846
P4836
P3958
P4835
P1910
P3957
P4834
P3956
P4833
P3955
P4832
P3954
Atom NZ of residue 33
P1855
P4831
P3953
P4830
Atom HG2 of residue 33
P3952
P4829
P3951
P4828
P1516
P3949
P4826
P3948
P4825
P3947
P4824
P7438
P4821
Atom HB3 of residue 32
P4820
P4818
P4817
P4812
P7810
P1821
P4805
P7809
P7417
P4802
P7416
P4801
P7414
P4799
P7413
Atom OE1 of residue 31
P4798
P7412
P1810
P4797
P1872
P7410
P4795
P7409
P4794
P7408
P4793
P7407
P1846
P4792
P7405
P4790
P1474
P8252
P7404
P4789
P7402
P4787
Atom C of residue 31
P7400
P4785
P7399
P4784
P7398
P4783
Atom N of residue 31
P8245
P7397
P4782
P7396
P4781
P1858
P8244
P7395
P4780
P7394
P4779
P7392
P4777
P7391
P1831
P4776
P7390
P4775
P7389
P4774
P7388
P4773
P7228
P4613
P7226
P4611
P7225
P4610
P8518
P7224
P4609
P7223
P4608
P7222
P7
P4607
P7221
P4606
P2000
P7219
P4604
P7218
P4603
P7217
P4602
P7216
P4601
P7215
Atom O of residue 15
P4600
P7213
P4598
P7212
P4597
P7211
P4596
P7209
P4594
P7207
P4592
P7205
P4590
P3
Atom HB2 of residue 20
P1986
P8499
P7204
P4589
Atom HD23 of residue 73
P7201
P4586
P7200
P4585
P7199
P4584
P7198
P1941
P4583
P7197
P4582
P7195
P4580
P7193
P4578
P7191
P4576
P7190
P4575
P1972
P7189
P4574
Atom HD12 of residue 3
P8484
P7188
P4573
P7187
P4572
P7186
P4571
P7184
P4569
P7183
P4568
P8495
P7182
P1926
P4567
P7181
P4566
P7179
P4564
P7178
P4563
P7177
P4562
P7176
P4561
P7175
P4560
Atom HB2 of residue 18
P7136
P1958
P7173
P2072
P4558
Atom H of residue 18
P7172
P4557
P7171
P4556
P7170
P4555
Atom CA of residue 15
P4554
P8464
P4553
P3673
P4552
P4551
P3669
P7
Atom CG2 of residue 5
P4548
P4547
P3666
P4545
P3665
P1947
P3664
P4543
P4541
P4540
P7116
P1939
P4539
P4538
P4537
P4534
P4533
P4531
P4530
P1990
P4109
Atom HA3 of residue 76
P3740
P4843
P3734
P2014
P3299
P4106
THR
P3738
P3297
P4104
P3737
P3296
P4103
P4845
P3736
P3295
P4102
P4844
P3735
P3294
P4101
P1380
P7308
ASP
P7296
P4098
P4097
P4096
P4095
P4094
P4093
P4092
P4091
P4090
P4089
P2074
P4088
P1980
P4087
P4086
P5710
P4083
P4080
Atom CD1 of residue 71
P4079
P4078
P4077
P1966
P4072
P4071
P4070
P4068
P4067
P4066
P4065
P4123
P4064
P4122
P4063
P4121
P4062
P4120
P4061
P4059
P4058
P1952
P4057
P8560
P4056
P4055
P4053
P4052
P4050
P2042
P4048
P4047
P4044
P8548
P4043
P1938
P4042
P4041
Atom CD2 of residue 69
P4040
P4038
P8542
P4037
P0
P4036
P4035
P2028
P5657
P4033
P4032
P4031
P1924
P4027
P4020
P1910
P4012
P4011
P4019
P8525
Atom HD22 of residue 67
P4010
P4008
P4007
P4005
P4004
Atom HB3 of residue 67
P2000
P4003
P4002
Atom HA of residue 67
P8508
P4001
P3948
P3947
P2564
P3946
P3945
P3944
P1944
P3943
AngleSingletonScore4
P3942
P1308
P3941
P3939
P1306
P3938
P3937
P2177
Atom HD2 of residue 63
P3936
P8252
P3934
P3933
P3931
P3930
P1930
P3928
P8245
P3927
P8352
P3923
P8351
P3921
P3919
P3918
P3917
P3925
P8244
P3916
P3914
P1916
P3913
PairPredicate 9
P3912
P3909
P3908
P3
P3907
P3906
P3903
P3902
P3900
P3899
P1902
P2533
P3898
P3897
P1
P3896
P3892
P3889
P3888
P3887
P3895
P2530
P3886
P3885
P3884
P1888
P3883
P3882
P3881
P3878
P3877
P3876
P0
P3875
P3874
P3873
P3872
P3871
P3870
P3869
P1874
P3868
P3867
P2504
P3866
P3864
P3859
P3858
P3857
P3856
P3863
P2501
P3854
P3852
P3849
P3848
P3846
P2072
Covariance1DFunction 85
P2485
P3845
P3844
P3842
P3840
P3839
P3838
P3837
P3836
P3811
P3813
P2456
P3804
P3803
P3802
P3810
P2453
P3801
Atom HD12 of residue 56
P3800
P3799
P3798
P3797
P3796
P3795
P3794
P2033
P3793
P3792
P3791
Atom CB of residue 56
P3789
P3788
P3787
P3786
P3785
P3784
P3783
P3782
P2427
P3781
P3780
P3779
P2424
P3778
P2117
P3777
P3776
P3774
P3773
P3772
P6779
P3767
P6777
P2110
P3765
P6776
P3764
Atom O of residue 16
P6771
P3759
P6770
P3758
P6769
P3757
P6768
GLU
P3756
P4
P6767
P3755
P6766
P3754
P6764
P3752
Atom CD of residue 54
P6760
P3748
P6759
P8539
P3747
P6755
P3743
P6754
P3742
P6752
P3740
P6751
P3739
P6750
P3738
P3746
P6758
P2395
Atom HE2 of residue 1
P6749
P3737
P6748
P3736
P6747
P3735
Atom HB3 of residue 52
Atom HA of residue 52
P6737
P2376
P3725
P6736
P3724
P6731
P3719
P3718
Atom HG3 of residue 51
P3717
P3716
P3714
P3713
P3712
P3711
P3709
P8382
P3707
P3703
P3702
P3689
PRO
P3701
Atom HD22 of residue 50
P3699
P3698
P3697
P3695
P2347
P8517
P3693
P3691
P3688
P3696
P2350
P8511
P3687
P3686
P3683
P3682
P3681
Atom HA of residue 13
P3680
P3679
P3678
P3677
P2331
P3675
P3674
P8498
P3673
Atom HB2 of residue 31
P3672
Atom NE2 of residue 49
P3669
P3668
P3667
P3666
P2092
P3665
P3662
P2318
P3661
P8482
P3657
P2323
P3656
P3654
VAL
P3653
Atom HD12 of residue 30
P3652
P3651
P3650
P3649
P3648
Atom HG22 of residue 30
P3647
P3646
P3645
Atom NZ of residue 48
P3644
P2302
P3643
P3641
P3639
P3638
P3636
P3635
P8461
P5259
P3634
P5258
P3633
P3640
P2299
P5256
P3631
Atom O of residue 47
Atom HG23 of residue 14
P5255
P3630
P5254
P3629
P5251
P3626
P5246
P3621
P8448
P3620
P3619
P3618
Atom CA of residue 5
P3615
P8442
P3614
Atom HZ of residue 45
P3613
P3612
P2273
P3611
P3609
P2270
P3608
P3607
P3606
P3605
P3603
P3602
P3601
P3600
P3599
Atom HD13 of residue 50
P3598
P3597
P3596
Atom CA of residue 45
P3593
Atom CG of residue 34
P3592
P5726
P3591
P5725
P2254
P3590
P91
P5724
P3589
P5723
P3588
P1645
P5721
P3586
P5720
P3585
P5719
P8310
P3584
P5718
Atom HD22 of residue 15
P3583
P5717
P3582
P5716
P3581
P5714
P1
Atom H of residue 44
P3579
P3577
P5711
P2241
P3576
P3575
P5709
P3574
P5708
P3573
P1631
P5706
P3571
P5704
P3569
P5703
P3568
Atom O of residue 44
P5701
P3566
P5699
ILE
P5698
Atom CB of residue 38
P3563
P5697
P3562
P5696
P3561
P5695
P3560
P5694
P3559
P5693
P2225
P3558
P1617
P5691
P3556
P5689
P3554
P5688
P3553
P3552
P5683
P8273
P3548
P5682
P3547
P5680
P3545
P5679
P3544
P5681
P6781
P5678
P3543
P5677
P3542
P5675
P5674
P3539
P5671
P3536
P3534
P5668
P3533
P5666
P3531
P5665
P3530
P5664
P2096
P3529
P5663
P3528
P5662
P3527
P6126
P1589
P5661
P2196
P3526
P3474
P2148
P3473
P4902
Atom O of residue 39
P3472
P3471
P2145
P3470
P4899
ASP
P3469
P3468
P3467
P3465
P3464
P3463
P5597
P3462
P3461
P3459
Atom CG of residue 38
P2131
P3458
P3457
P3456
P3455
P3454
P3452
P5
P3451
P3449
P3448
P3447
P1822
P3446
P3444
P3442
P3441
P3439
P3438
P3437
P3436
P3435
P3434
Atom N of residue 12
P3433
P1809
P3432
P3431
P3429
P3428
P3427
P3426
P3424
P3423
P3422
P3420
P3405
P3404
P3403
P1781
P3402
P3401
P3399
P3398
P3397
P3396
P3395
P3394
P3393
P8356
P3392
P3390
P3388
P3384
P2479
P3383
P3382
P3381
P3380
P5514
P3379
P3387
P1767
P3378
P3377
P4
P3376
Atom HA of residue 33
Atom OE2 of residue 18
P3375
P3374
P3373
P1753
P3372
P3371
P3369
P3367
P3366
P2463
P3365
P3364
P3363
P3362
P1428
Atom HB2 of residue 32
P3361
P6374
P3360
P6373
P3359
Atom CG2 of residue 14
P2458
P6372
P3358
P6371
P1739
P3357
P6370
P3356
P6368
P3354
P6367
P3353
P6366
P3352
P6364
P3350
P6363
P3349
P3348
P6361
P3347
P3346
P3345
P3344
P6357
P3343
P6356
P1725
P3342
P6355
P3341
P6353
Atom HA of residue 34
P3339
P6352
Atom OE1 of residue 31
P3338
P2439
P6351
P3337
P6349
P3335
P6348
P3334
P6346
P3332
P6345
P3331
P6343
P3329
P6342
P3328
P6341
P1711
P3327
P6340
P3326
Atom CE of residue 27
P6339
P3325
P6338
P3324
P2426
P6337
P3323
P6336
P3322
P6333
P3319
Atom N of residue 27
P3318
P4944
P6331
P3317
P6330
P3316
P6329
P3315
P6328
P3314
P6327
P3313
P6326
P1697
P3312
P6325
P3311
Covariance1DFunction 78
P6324
P3310
P6323
P3309
P6322
P3308
P6321
P3307
P3268
P1655
P3267
P4892
P3266
P3214
P3222
P1613
P2325
P3213
P3212
P3211
P3210
P3209
Atom HG3 of residue 24
P3208
P8471
P1599
P3207
P3206
P3204
P3203
P3202
P3201
P3199
Atom CB of residue 24
P4822
P3197
P2309
P3195
P3194
Atom CA of residue 55
P3193
P1585
P3192
P3191
Atom HD12 of residue 23
P3190
P8348
Atom HH12 of residue 54
P3188
P8347
P3186
P3185
Atom HD2 of residue 54
P3184
Atom HG12 of residue 23
P3183
P3182
P5776
Atom HA of residue 23
P3181
P3180
P3178
P3176
P3174
P3173
P3172
P3170
P3169
P3177
Atom H of residue 54
P1571
P3168
P3167
P3165
Atom HE1 of residue 1
P6178
P3164
P3161
P2277
P3160
P3159
P3157
P3156
P3155
P3154
P3162
P1557
Atom HB3 of residue 21
P3153
P3152
Atom CA of residue 99
Atom HA of residue 21
Atom H of residue 5
P3151
P3150
P3149
P6
P3148
P1543
P3147
Atom OE1 of residue 34
P3146
P3145
P3144
P3141
P8303
P3140
Atom HG of residue 20
P3139
P3138
P3137
P3136
P3135
P3133
P3130
P3129
P2248
P3128
P3127
P3126
P5255
P8286
Atom HD2 of residue 19
P3125
P3124
P3132
P1529
P5259
P5253
P8285
P3123
P5258
P3122
P5257
P3121
P5256
P3120
P3119
P5254
P3118
P5252
P3116
P5251
P3115
P5246
P2232
P3110
P3117
P1515
P3108
Atom OG1 of residue 9
P3107
P7688
P2828
P7686
P2826
P2105
Atom HA of residue 48
P2825
P4456
P5838
P2824
P2820
P2819
P2818
P2817
P2816
P2815
P2812
P2811
P2810
P2807
P2806
Atom HE1 of residue 68
P2805
P1817
P4
P2804
P2803
P2801
P1757
P2800
P2797
P2796
P2795
P2794
P2793
P2792
P346
P2791
P2790
P1803
P2128
P2789
P1744
Covariance1DFunction 16
P2787
P1743
P2786
P1742
P2785
P2782
Atom N of residue 13
P2781
P2780
P2779
P2778
P3217
Atom H of residue 45
P2777
P2776
P1991
P2775
P1789
P2774
P3201
P1926
P2773
P2772
P2771
P2770
P2769
P1782
P2768
P1985
P2767
P2766
P2765
P2764
P3203
Atom HD13 of residue 44
P2763
P1775
Atom CB of residue 22
P2762
P2761
P1718
P2760
Atom CB of residue 69
P2757
Atom CA of residue 11
P1714
P6451
P2756
P6449
P2754
P3196
P1523
Atom HD11 of residue 13
P6448
P1768
P2753
P6447
P2752
P6445
P2750
P6443
P2748
P2747
P6441
P2746
P2745
P2743
P6437
P2742
P6436
P2741
P6435
P2740
P2739
P1754
P2738
Atom HD21 of residue 8
P2737
P2736
P2735
P2734
P2733
P2130
P2732
P1690
P2731
P1689
P2730
P1686
P2727
P1685
P2726
P318
P2725
P2724
P1740
P2723
P2721
P2720
P2719
P2718
P2716
P2715
P2712
P2711
P2710
P1726
P2708
P2707
P2706
P2705
P1676
P2704
P2703
P2702
P2700
P3126
P1856
P2698
P2697
P2696
P2695
Atom HZ1 of residue 6
Atom CG1 of residue 3
P1
P2694
P1712
P2693
P304
P2692
P2691
P2690
P2687
Atom HG1 of residue 9
P2686
P2685
P3111
P1842
P2683
P2682
P2681
P2680
P2679
P1698
P2678
P2677
P2676
P1634
Model 85
P2675
P2674
Atom CG2 of residue 7
P2673
P2671
P2670
P2668
P2667
P2666
P2665
Atom CD of residue 6
P2664
P3106
P1439
P2663
Atom HE2 of residue 6
P6357
P2662
P3101
Atom CG of residue 40
P6356
P2661
P6355
P2660
P6354
P290
P2659
P6353
P2658
P6352
P2657
P6350
PairPredicate 6
P2655
P6348
P2653
P6347
P2652
P6346
P2651
P6345
P2650
P6344
P2649
P3091
P1425
P6343
P2648
P3087
Atom CG of residue 39
P3081
P7928
P6342
P2647
P3080
P7927
P1619
P6341
P2646
P6340
P2645
P6339
P2644
P6337
P2642
P6336
P2641
P6335
P2640
P6333
P2638
P6332
P2637
P6331
P2636
P6330
P2635
P6329
P2634
P6328
P2633
P6327
P2632
P6326
P2631
P6325
P2630
P6324
P2629
P6323
P2628
P6322
Model 81
P2627
P6321
P276
P2626
P6320
P2625
P6316
P2621
P6315
P2620
P1593
P6314
P2619
P3061
P1397
P6313
P2618
P3057
Atom HA of residue 37
P1580
P6312
P2617
P1579
P6311
P2616
P6310
P2615
P6309
P2614
P2611
P7889
P7466
P2606
P2579
P2578
P1932
P2577
Atom HG3 of residue 34
P2576
P1551
P2575
P2574
P2573
P1353
P2572
P1925
Model 75
P2571
P2570
P2569
P2568
P2567
P2566
P2564
P2563
P1343
P2562
P2561
P2560
P2559
P2558
P2555
P2550
P6244
P2549
P6243
P2548
P2547
P1902
P6241
P2546
Atom CB of residue 59
P2545
P2543
P5765
P2540
P89
P6464
P3468
Atom N of residue 59
P2539
P2538
P1911
P5762
P2537
P2536
P7558
P2535
P2533
P7555
P2532
P0
P8480
P2531
Model 52
Atom O of residue 58
P2530
P2528
P2523
P2522
P5743
P2520
P2519
P5740
P2517
P2516
P37
P2518
P3443
P1887
P2514
P1886
P2513
P2511
P2510
P2509
P2507
P1877
P2504
P2503
P2502
P2915
P4307
P7307
P5721
P2500
P2499
P4304
P2912
P7304
P5718
P2497
P7515
P33
P2496
P2494
P7512
P2493
P2492
P2491
P5916
P8439
P2490
P3414
P3411
P2489
P2487
P2484
P2483
P2888
P4280
P1853
Atom O of residue 1
P2481
P2479
P2474
P2472
P1843
P2471
P3393
P6394
Atom N of residue 5
P2468
P2467
P6391
P2465
P2464
P2462
P2460
P6835
P2455
P2454
P2453
P2452
P2451
P6373
P2446
P2445
P2442
Atom O of residue 29
P2435
P2434
P6853
P8405
P2431
P6351
P2429
P6348
P2425
Atom N of residue 2
P7436
P2424
P2423
P2422
P5634
P2421
Atom HD13 of residue 71
P2420
P2419
P5631
P2418
P7223
P1384
P8391
P3333
P6794
Atom HD11 of residue 71
P2417
P2415
P2411
P2412
P6787
P3326
P1367
P7207
P3323
P6784
P2409
P2407
P7415
P2405
P2404
P2402
P2401
P2398
P2395
P5602
P2392
P2391
P2390
P2389
P7396
P2388
P7393
P2385
P2384
P5591
P2382
P6297
P2379
P6294
P6285
P2378
P2376
P2375
P2373
P2774
P4166
P7166
P2372
P5577
P2369
P2368
P2365
P2363
P2364
P6734
P3273
P2360
P2359
P2358
P2357
P2355
P5559
P2353
P2352
P5556
P2350
P7353
P2349
P2348
P2346
P7349
P2345
P2343
P6254
P2340
P6251
P2337
P2336
P3244
P3241
P2335
P2334
P5534
Atom NH2 of residue 72
P2330
P2329
P2328
P2327
P2326
P7113
P2324
P2320
P2318
P2317
P3223
P1313
P2314
P6213
P2313
P6219
P2308
P2307
P7092
P2305
P5505
P2304
P3209
P2302
P5502
P2301
P2299
P2298
P2297
P2295
P6201
P7078
P2292
P2289
P7284
P2286
P5484
P2285
P2287
P3188
P3185
P2284
P2283
P2282
P6187
P2281
P2279
P4049
P2278
P2276
P4046
P2275
P7057
P2273
P2271
P2270
P2269
P2268
P2266
P6169
P6624
P2264
P5460
P2263
P6166
P2261
P2259
P3159
P7040
Atom HB3 of residue 68
P3156
P2258
P6652
P7038
P2256
P6649
P7035
P2253
P2251
ModelScoringFunction18
P3669
Atom CG of residue 68
P7244
P2250
P2248
P4014
P2246
P2243
P2241
P2240
P3138
P2238
P5439
P6137
P2235
P5436
P6134
Atom H of residue 67
P2233
P2231
P5626
P8509
P6620
P7006
P2227
P3124
Atom HG23 of residue 66
P2225
P2223
P5415
P2222
P2220
P7209
P2218
P1887
P8304
P2214
P2212
P3106
Atom N of residue 66
P3103
P2210
P2208
Atom HA of residue 65
P5397
P2206
P2205
P1870
P6981
Atom CB of residue 65
P2204
P2203
P2202
P6598
P8287
P2200
P2195
P2194
P8280
P5383
P2193
P7180
P2192
P2190
P7177
P2189
P2187
P6960
P2185
P2184
P2182
P2179
P2175
P2174
P2173
P2551
P3932
P7158
P2172
P1821
P3929
P7155
P2169
P2166
P2164
P8265
P2163
P2159
P2158
P5343
P2157
Atom HB3 of residue 62
P2156
P5340
P2154
P2151
P3039
P6038
P6917
P2146
P2143
P5324
P2140
P2137
P2135
P2134
P7118
P3021
P7115
P3018
P2133
P2132
P6019
P2128
P2127
P2126
P2125
P8295
P7601
P4611
P2123
P2525
P6015
P2121
P2120
P2118
Linear1DFunction 29
P2117
Model 356
P2113
P2112
P2111
P4638
P2108
P5008
P3609
P2105
P2104
P2103
P2102
P2101
P2100
P2220
P1603
P5676
P3541
Atom NE2 of residue 31
P2090
P2088
P2317
P2087
SER
P7426
P2086
P6461
Atom N of residue 65
P2085
P2082
P2997
P2081
P3862
P2078
P5994
Atom C of residue 60
P3855
P2076
P2734
P2713
P2074
P2073
P7185
P4570
P2071
P2070
P6380
P2069
P2414
P2068
P6376
P2065
P2064
P2063
P2062
P2061
P4861
P6754
P2059
P2057
P2056
P2055
P4315
P7702
P2054
P2053
P3743
P3302
P2052
Atom OD1 of residue 87
P1382
P4130
P1381
Atom HG23 of residue 66
P3292
P2048
Atom HG22 of residue 66
P2047
Atom O of residue 65
P6730
P2042
P2040
P4682
P2039
P8200
P2038
P2037
P4290
P7677
P2036
Atom HB3 of residue 74
Atom N of residue 10
P2035
P2034
P2032
P3258
Atom NE of residue 42
P6765
P7630
P2031
P3762
P2030
P2029
P2028
P2026
P2023
P2835
P2020
Atom HG21 of residue 26
P3814
P2019
P2018
P7312
P4697
Atom HG11 of residue 26
Atom ND2 of residue 25
P6290
P2016
P7690
Atom OD1 of residue 25
P2015
P2013
P2012
P2846
P2010
P2007
P2006
P3799
P2005
P2004
P2003
P6275
P2002
P1999
P1998
P2831
P1996
GLU
P7653
P1993
P3784
P1990
P1989
P6260
P1988
P7660
P1987
P1985
Atom H of residue 24
P6256
P1984
P2816
P1982
P1980
P8381
P7067
P1979
P1978
Atom CD2 of residue 73
P1974
Atom OG1 of residue 9
P1971
P1970
P8065
P1968
ListSingletonContainer134
P1967
P1965
P1964
P1963
P2532
P2529
P1960
P4361
P1959
P1958
P1957
P5528
P6163
P8051
P1955
P1954
P1952
P4623
P4472
P1942
P7210
P4595
P1937
P3711
P1936
P1935
P1934
P1933
P7801
P4237
P3
P1311
P6186
P1932
P1930
P2743
P7194
P4579
P6700
P7565
P1924
P1923
P3696
P1922
P1921
P1919
P1918
P1328
P1917
P7119
P5074
P3675
Atom HD12 of residue 71
P1916
Atom HD11 of residue 71
P1915
Atom HG of residue 71
P1914
P4682
Atom HB3 of residue 71
P1913
P1912
P4680
Atom HA of residue 71
P1911
P3879
P1910
P7107
P3010
P4099
P2522
Atom CA of residue 12
P1908
P3850
P6440
P1883
P7078
P2981
P7075
P2978
P1882
P1881
P1879
P1878
P1875
P5267
P1873
P6473
P2487
P1872
P1871
P1870
P7063
P2966
P1867
P1866
P2477
P5962
P1860
P1859
P5251
P1858
P4122
P1857
P1856
P7048
P2951
P4107
P1853
P1852
P1851
P5947
P3808
P2047
P2046
P1847
P2045
P1846
P2044
P1845
P2043
P2042
Atom N of residue 57
P5235
P1843
P2041
Atom HD23 of residue 56
P1842
P2040
P3805
P1841
P2038
P7029
P1839
P2454
P2037
P1838
P6422
P2036
P1837
P1834
P2032
P2031
P1832
P2030
P1831
P2028
P5220
P1829
P6812
P2444
P2027
P1828
P2026
P3790
P1827
P2921
P2025
P2023
P1824
P6407
P2022
ListSingletonContainer540
P1823
P1822
P5916
P1818
P1817
P1815
P5204
P1814
P3775
P1813
P2906
P5901
Atom OG1 of residue 55
Atom O of residue 55
P1810
Atom C of residue 55
P1809
P5399
P2421
VAL
P1803
P1802
P1801
P1800
P2408
P6772
P8551
P3760
P5188
P1799
P2891
P1796
P1795
P2411
P1794
P1788
P1787
P1786
P6757
P3745
P5173
P1785
P2876
P6969
P1783
P1782
P1781
P1780
P5870
P1775
P1774
P1773
P5158
P1771
P2388
P2861
P1767
P1766
P1764
P6353
P2378
P1760
P1759
P1758
P3715
P1757
P5145
P2846
P6951
P5839
Atom H of residue 51
P1754
ListSingletonContainer528
P1753
P1752
Atom CB of residue 51
P1750
P5830
P1747
P1746
P1745
P3700
P1743
P5130
P2831
P5127
P2828
P1742
P1740
P1739
P1738
P2355
P149
P1736
P1734
P5824
P1732
P1731
P1730
P3685
P1729
P2816
P6921
P8514
P2345
P5110
P1726
P1725
P1724
P1722
P1720
P5809
P1719
P1716
P3670
P1715
P2801
P1712
P5094
ListSingletonContainer521
P1711
P1710
P1708
P6675
P111
P1707
P8495
P1705
P1703
P5290
P2322
P1702
P8481
P3655
P1701
P110
P2786
P5079
P1697
P1696
P1694
P6660
P1693
P1691
P2771
P6876
P1684
P5064
P1683
P6225
P1682
P6645
P1679
P1675
P5761
Atom HA3 of residue 47
P6861
P1666
P1663
OptimizerState 1
P5033
P1654
P1648
P5731
P1646
P3595
P1642
P1641
P5018
P1640
P6178
P1638
P1637
P1
P6599
P1636
P6218
P2256
P1634
P1633
P5715
P3580
P2711
P2708
P1630
ListSingletonContainer509
P6816
Atom HG22 of residue 5
P1628
P1627
P2246
P1624
P1623
P6584
P1622
P1619
P5700
P81
P2696
P6801
P1614
P79
P1613
P1612
P1610
P1609
P5685
Atom H of residue 50
P3550
P6786
Atom CD1 of residue 50
P1601
ListSingletonContainer514
P1599
P1598
P1596
P1595
P1594
P6553
P6130
P1593
P1591
P5670
P3535
P2666
P1587
P6770
P1584
P1582
P1581
P1580
P1578
P3
P1576
P2651
P5651
P4944
P1571
P1570
Atom H of residue 41
P4941
P1568
P1567
P2190
P64
P1566
P5643
Atom C of residue 41
P1562
P2636
P6740
P1558
P1557
P5134
P2180
P1556
P1552
P1550
P1549
P1548
P5623
P6725
P1543
P4911
P1540
P1539
P2608
P6491
P51
P1535
P1534
P6710
P4896
P1526
P1525
P1524
P8406
P6476
P1521
P1520
P3460
P1519
P1517
P1515
P1512
P2580
P1510
P1
P6040
P1509
P2122
P6461
P41
P1507
P1503
P4867
P1501
P1500
P1498
P1497
Atom HD11 of residue 36
P1493
P3082
Atom HG23 of residue 36
P1492
P3430
P1491
Atom HG13 of residue 36
P1489
P5562
Atom HG12 of residue 36
P4864
P6664
P6018
Atom HB of residue 36
P1484
P1483
P33
P1482
P1481
P1478
P1474
P4869
P1472
P4835
P1470
GLY
P1469
Atom N of residue 35
P1468
Atom HG3 of residue 34
P1467
Atom HB3 of residue 34
P1465
P6415
P3052
Atom HB2 of residue 34
P1464
P4829
Atom HA of residue 34
P3400
P1463
P1460
P1451
P6400
P1450
P6623
P3385
P1449
P1448
P1446
P1445
P6618
P1442
P1440
P1438
P6385
P1436
P3370
P1435
P1434
P1432
P1427
P1426
P1425
P4791
P1424
P1422
P2455
P6369
P3355
P1421
P1420
P1414
P1413
P1412
P1411
P4776
P1410
P6354
P3340
P1407
P1406
P1404
P1399
P1398
P4761
P1396
P1394
P8074
P5560
P1392
P1391
P2545
P1389
P1388
P30
P1385
P6250
P6212
P1373
P1371
P8514
P1368
P1367
P8126
P5136
P5627
P6014
P1362
P1357
P1355
P1354
P1353
P5612
P5999
P4415
P1349
P1348
P8105
P15
P1345
P6215
P6203
P1344
P1341
P5598
P5985
P1340
P2618
P1338
P4401
P1337
P1336
P6191
P1334
P1380
P1333
P10489
P1329
P4283
P1327
P7273
P4658
Atom CG of residue 24
P6251
Atom CD1 of residue 23
P1324
P1323
P1322
Atom HA of residue 46
Atom CA of residue 51
P4001
P1320
P1319
P8056
P2531
P1317
Atom CB of residue 72
P4558
P1315
P7622
P1313
P1312
P6729
P1310
P3770
P1309
P2809
P1308
P1307
P1306
P7215
P5602
P5692
P3557
P5968
P1876
P6778
P8557
P3766
P8381
P3705
P5608
P1531
P2028
P3749
Atom HA2 of residue 76
Atom H of residue 76
P4855
P6748
Atom C of residue 76
Atom CA of residue 76
P1486
Atom HA2 of residue 75
P1484
P3033
Atom O of residue 75
P3030
GLY
Atom N of residue 75
P4841
P3732
Atom HE of residue 74
Atom HG3 of residue 74
P3019
Atom HG2 of residue 74
P6723
P3721
Atom HA of residue 74
Atom NE of residue 74
P7162
Atom CD of residue 74
P3008
Atom CG of residue 74
Atom CB of residue 74
P6712
P3710
P4811
Atom C of residue 74
Atom CA of residue 74
P6709
P3707
Atom N of residue 74
Atom HD22 of residue 73
Atom CA of residue 9
Atom HD21 of residue 73
P4803
P7150
Atom HD13 of residue 73
Atom HD12 of residue 73
P4813
P4802
Atom HD11 of residue 73
P2997
Atom HD22 of residue 8
P2994
Atom HG of residue 73
Atom HB3 of residue 73
P6698
P1454
P3696
P3687
P6689
Atom HB2 of residue 73
Atom HA of residue 73
Atom H of residue 73
Atom CD1 of residue 73
P7658
P7139
Atom CG of residue 73
P2983
Atom C of residue 73
Atom CA of residue 73
P4800
P4788
LEU
P2980
Atom N of residue 73
Atom HH22 of residue 72
P6684
P3682
Atom HH12 of residue 72
Atom CA of residue 8
Atom HD3 of residue 72
Atom HG23 of residue 7
Atom HD2 of residue 72
P6668
P7124
Atom HG3 of residue 72
Atom HG2 of residue 62
P4789
P6666
P2969
Atom HB3 of residue 72
Atom HB2 of residue 72
P6673
P3671
P7634
Atom HG23 of residue 61
Atom CZ of residue 72
P60
Atom HG21 of residue 61
Atom CD of residue 72
ARG
P3657
P6649
Atom HD23 of residue 71
P6656
Atom HD13 of residue 71
Atom HD12 of residue 71
P7102
Atom CA of residue 7
P7099
Atom HD11 of residue 71
Atom HB of residue 61
P4764
P53
P2944
Atom HB3 of residue 71
Atom HB2 of residue 71
P2945
Atom HG3 of residue 6
P2942
Atom HA of residue 71
P6645
Atom CG of residue 71
Atom HB2 of residue 60
Atom CB of residue 71
P4753
P3637
P4750
P4738
P7084
Atom O of residue 6
Atom N of residue 71
P2930
Atom HG23 of residue 70
Atom HG22 of residue 70
P97
P3632
P4599
P7597
Atom HA of residue 72
P4593
P4591
P1382
Atom HB of residue 70
Atom OD1 of residue 60
P6629
Atom H of residue 70
ListSingletonContainer52
Atom CG2 of residue 70
P2919
Atom CG1 of residue 70
Atom CB of residue 70
P1384
P76
P3621
P3618
Atom N of residue 72
P4579
Atom HD23 of residue 69
Atom HD22 of residue 69
Atom CG of residue 69
P1351
P6590
Atom CA of residue 69
P7057
P4711
P6599
Atom N of residue 69
Atom CG of residue 58
Atom O of residue 72
P7558
Atom N of residue 58
Atom HB3 of residue 68
Atom HA of residue 68
Atom H of residue 68
Atom NE2 of residue 68
Atom CE1 of residue 68
P5163
P7708
P6095
Atom CG of residue 68
Atom CB of residue 68
Atom O of residue 68
P5158
P10970
Atom CA of residue 68
Atom HA of residue 64
P1506
P2646
HIS
P4718
P1505
P5155
P2645
Atom N of residue 68
P1504
Atom HD22 of residue 67
Atom C of residue 64
Atom HG of residue 67
P8313
Atom HB3 of residue 67
Atom HB2 of residue 67
P1934
Atom HB2 of residue 63
Atom HA of residue 67
P8128
P10956
Atom H of residue 67
Atom CD1 of residue 67
P8306
Atom CG of residue 67
P7414
Atom CB of residue 67
P8304
P7683
P6070
Atom C of residue 67
Atom CA of residue 67
Atom HB3 of residue 63
Atom HG23 of residue 66
Atom HG21 of residue 66
P5129
Atom HG1 of residue 66
Atom HB of residue 66
P4236
Atom C of residue 63
Atom CB of residue 66
P6055
Atom OE1 of residue 62
Atom C of residue 66
Atom CA of residue 66
P6052
THR
Atom N of residue 66
Atom HG of residue 65
P4222
Atom O of residue 62
P8279
GLN
Atom HA of residue 65
Atom N of residue 62
Atom H of residue 65
P2098
Atom O of residue 65
P7642
P2097
P7654
P6041
Atom C of residue 65
P5106
Atom HG22 of residue 61
Atom CA of residue 65
SER
Atom N of residue 65
P8088
P143
Atom HG3 of residue 64
Atom HG2 of residue 64
P10913
Atom HB2 of residue 64
Atom H of residue 64
P7371
Atom OE1 of residue 64
Atom CD of residue 64
Atom CG of residue 64
P6026
Atom CB of residue 64
Atom O of residue 64
Atom C of residue 64
P5089
P5080
Atom CA of residue 64
GLU
Atom N of residue 64
Atom HZ3 of residue 63
P5084
P6012
Atom HG3 of residue 63
Atom HG2 of residue 63
Atom HB3 of residue 63
Atom CA of residue 61
Atom HB2 of residue 63
Atom H of residue 63
Atom CE of residue 63
Atom CD of residue 63
P7344
Atom CG of residue 63
Atom O of residue 63
Atom HD2 of residue 59
Atom C of residue 63
P5064
LYS
Atom HE22 of residue 62
P2513
Atom HG2 of residue 62
Atom HB2 of residue 62
Atom HA of residue 62
P1410
P2550
Atom H of residue 62
P5050
Atom CD of residue 62
Atom CB of residue 62
Atom O of residue 62
Atom C of residue 62
P8392
P5977
GLN
P8390
P5975
Atom CD1 of residue 59
Atom HD12 of residue 61
P8023
Atom HG23 of residue 61
P10852
P2492
P10849
Atom HG21 of residue 61
Atom HG12 of residue 61
Atom HB of residue 61
Atom CD1 of residue 61
Atom CG2 of residue 61
Atom CG1 of residue 61
Atom CB of residue 61
P8520
P10834
P2476
P10831
Atom CA of residue 61
P105
ILE
Atom HB3 of residue 60
Atom HA of residue 60
P8568
P4115
Atom OD1 of residue 60
P5516
Atom CD2 of residue 56
Atom CB of residue 60
P7989
P7287
P7986
P10811
P2498
Atom HE2 of residue 59
P2497
Atom HE1 of residue 59
P5927
Atom HB3 of residue 59
P7975
Atom CB of residue 82
P7534
Atom H of residue 55
Atom OH of residue 59
P1749
P4541
P7532
Atom CE2 of residue 59
P7964
P84
Atom C of residue 59
Atom CA of residue 59
P7950
Atom C of residue 58
P2427
Atom HD3 of residue 54
P7947
Atom N of residue 58
Atom HD11 of residue 73
Atom HB3 of residue 57
Atom HB2 of residue 57
Atom HA of residue 57
Atom HA of residue 54
P2419
Atom OG of residue 57
P4503
SER
P7933
P5456
P2410
Atom HD23 of residue 56
P74
P2412
P5881
Model 119
Atom HD22 of residue 56
Atom C of residue 12
Atom HD21 of residue 56
ARG
P4040
Atom HD11 of residue 56
Atom HA3 of residue 53
P5874
Atom HB3 of residue 56
P5872
Atom OD1 of residue 52
Atom HA of residue 56
P5860
Atom HG23 of residue 55
P2433
P2392
P8276
P4478
P2389
Atom HG22 of residue 55
P7473
P4015
Atom OG1 of residue 55
Atom CB of residue 55
P2383
P5849
P2380
Atom O of residue 55
P4467
Atom C of residue 55
P5846
THR
Atom OE2 of residue 51
P8264
P4464
Atom N of residue 55
P2370
P5415
Atom HD11 of residue 50
Atom HH11 of residue 54
P2371
Atom HG3 of residue 54
P5835
Atom HG2 of residue 54
P4453
Atom HB3 of residue 54
LEU
P5404
Atom O of residue 50
P5407
Atom NH2 of residue 54
Atom NE of residue 54
P41
Atom CD of residue 54
P5824
Atom CG of residue 54
Atom C of residue 73
P7431
Atom CA of residue 54
P1640
P2053
P2541
P4432
P1647
P1639
P2052
P1646
P1645
Atom C of residue 53
Atom N of residue 53
Atom HB3 of residue 52
P2381
Atom HA of residue 52
Atom O of residue 52
Atom N of residue 52
P5368
Atom HG3 of residue 51
P3957
P7834
Atom HG2 of residue 51
Atom HB2 of residue 51
P4412
P5790
P5787
P4409
Atom HA of residue 51
P1
Atom H of residue 51
Atom HA2 of residue 47
P7121
P7130
Atom OE2 of residue 51
P7395
P1621
P7398
Atom OE1 of residue 51
Atom CG of residue 51
P3946
P7823
Atom O of residue 51
P24
Atom HD23 of residue 50
P2353
Atom HD22 of residue 50
P7386
P4831
Atom HD21 of residue 50
Atom HD11 of residue 50
P5344
Atom HG of residue 50
P2308
Atom HB3 of residue 50
P3932
P7809
Atom HB2 of residue 50
Atom CB of residue 50
P10631
P7094
P10640
P2300
Atom O of residue 50
P10637
LEU
P5753
P2273
P7073
P4
P2323
Atom CD of residue 49
P5742
Atom O of residue 45
Atom CB of residue 49
P4359
P7350
Atom CA of residue 49
P3884
P1559
Atom CE of residue 48
P8220
P6
Atom CB of residue 48
P7321
Atom HA2 of residue 47
Atom H of residue 47
P10575
ModelScoringFunction25
P10587
Atom O of residue 47
P3870
Atom C of residue 47
P3867
Atom N of residue 47
P4753
P8200
Atom CB of residue 46
Atom C of residue 46
Atom HA of residue 43
Atom CA of residue 46
P7316
P2444
P7313
GridCPF
P7304
ALA
Atom N of residue 46
P10570
Atom HZ of residue 45
Atom HE2 of residue 45
Atom CG of residue 43
P7300
P2271
Atom HE1 of residue 45
P2239
Atom N of residue 43
P7293
Atom HH22 of residue 42
P1331
Atom CZ of residue 45
P7007
P7016
Atom CB of residue 45
P2230
Atom HG2 of residue 42
P4728
P7711
P8175
Atom C of residue 45
P2251
P7708
P4725
P8172
Atom N of residue 45
Atom HG22 of residue 44
P8273
P5661
Atom HG13 of residue 44
P2241
Atom H of residue 44
P3819
P2240
Atom CD1 of residue 44
P10534
P2239
Atom CG2 of residue 44
Atom CB of residue 44
Atom C of residue 44
P2198
Atom CB of residue 28
P3807
P7255
Atom HD21 of residue 43
Atom HB3 of residue 43
P1478
P8137
P5208
P5211
Atom CD2 of residue 43
P3789
P2212
LEU
P2211
P5202
Atom N of residue 43
P10503
P2210
Atom HH22 of residue 42
P2207
Atom HH11 of residue 42
P2205
Atom HD3 of residue 42
Atom HG3 of residue 42
P3778
Atom HG2 of residue 42
Atom HB3 of residue 42
P7742
Atom H of residue 42
P7765
P7301
P7753
P1849
Atom CZ of residue 42
P7456
P4472
Atom CB of residue 42
Atom O of residue 42
Atom C of residue 42
P2198
Atom HG2 of residue 38
P3762
Atom CA of residue 42
P8104
P7640
P5163
P1436
P7628
P8092
P5166
Atom CG of residue 37
Atom NE2 of residue 41
P10465
Atom CG of residue 41
Atom C of residue 41
P6923
P2137
P6911
P6920
Atom HE22 of residue 40
P5151
P7616
P8080
P5154
P2133
Atom HE21 of residue 40
P2336
Atom C of residue 37
P3737
P6916
Atom HB3 of residue 40
Atom HB2 of residue 40
P10451
P2125
Atom HA of residue 40
P2124
Atom H of residue 40
P5139
P5142
Atom CB of residue 40
P3726
P3723
Atom N of residue 40
Atom HA of residue 39
P1675
P1674
Atom OD1 of residue 39
Atom C of residue 36
P8067
P7603
P6885
P7591
P8055
Atom CG of residue 39
P7596
Atom HD3 of residue 38
Atom CA of residue 9
P2309
P10423
Atom HD2 of residue 38
Atom HB2 of residue 38
Atom C of residue 38
P1652
Atom HB2 of residue 37
Atom CB of residue 37
Atom CA of residue 37
Atom HD12 of residue 36
P496
Atom HG23 of residue 36
Atom HG12 of residue 36
Atom C of residue 33
Atom H of residue 36
P1351
Atom CD1 of residue 36
Atom CG1 of residue 36
Atom HE21 of residue 31
P5071
P5074
Atom CB of residue 36
Atom O of residue 32
P1341
Atom H of residue 35
P497
Atom C of residue 32
P4545
Atom O of residue 35
P1339
P2252
Atom HG2 of residue 34
Atom HB2 of residue 34
P5052
P5055
Atom HA of residue 34
P2244
Atom CG of residue 34
P2056
Atom O of residue 34
P10359
P7984
P7520
P6802
P4076
P6811
Atom C of residue 34
P4534
GLU
P4532
P1585
P5038
P5041
Atom HZ2 of residue 33
Atom HE3 of residue 33
P5459
Atom HD3 of residue 33
Atom HD2 of residue 33
P5456
P4121
Atom HG2 of residue 33
Atom CG of residue 33
P5445
Model 101
P474
Atom O of residue 33
P5442
LYS
P4507
P1562
Atom CG of residue 32
P2207
P1560
P5431
Atom O of residue 32
P2204
Atom C of residue 66
ASP
Atom HA of residue 29
Atom N of residue 32
Atom CD of residue 16
Atom HE21 of residue 31
P10301
Atom HB3 of residue 31
Atom HB2 of residue 31
Atom HA of residue 31
P4484
P10290
P2006
Atom C of residue 31
P1990
Atom HB of residue 30
Atom HA of residue 30
P7428
Atom O of residue 30
P7425
ILE
Atom HZ3 of residue 29
Atom HE2 of residue 29
P2067
Atom HD3 of residue 29
Atom HB2 of residue 29
Atom N of residue 63
Atom HA of residue 29
P7419
P6719
P4435
P7407
P7871
P4417
P6701
P6710
P4426
Atom NZ of residue 29
P7867
Atom O of residue 29
P7864
P7400
LYS
P1490
P10236
Atom HB2 of residue 28
P6705
P4421
P1952
P6699
P4415
P1488
P5354
P7393
P7857
P4403
P6687
P4412
P6696
Atom HA of residue 28
P10228
Atom CA of residue 28
P10223
Atom HZ1 of residue 27
Atom HE3 of residue 27
P2037
P7844
P7380
P6680
P4396
P4378
P6662
P6671
P4387
Atom CD of residue 27
Atom CG of residue 27
Atom CB of residue 27
P10203
Atom CA of residue 27
Atom OD1 of residue 60
P5323
LYS
Atom HG23 of residue 26
P3471
P6930
P10198
P7823
Atom HG21 of residue 26
Atom H of residue 60
Atom HG13 of residue 26
Atom CG2 of residue 26
Atom CG of residue 59
P2017
Atom CA of residue 60
P1923
Atom CG1 of residue 26
Atom O of residue 59
Atom CG of residue 18
P2015
P3460
P6919
P10187
P7348
P7812
Atom O of residue 26
Atom C of residue 26
P3912
P6917
Atom CA of residue 26
P10184
P7345
P7809
VAL
P6915
Atom N of residue 26
Atom O of residue 18
P3905
P1433
Atom HA of residue 25
Atom OH of residue 59
Atom H of residue 25
P3455
Atom CE1 of residue 59
P10173
P7798
P2
Atom CG of residue 25
THR
Atom N of residue 25
P4862
P1889
P4865
Atom C of residue 25
Atom CA of residue 71
P3893
Atom HG3 of residue 24
Atom OE2 of residue 24
P4338
P4840
Atom HE2 of residue 27
P3875
P1405
P4843
Atom HD12 of residue 23
Atom H of residue 57
P7305
P7769
Atom HG22 of residue 23
Atom CD1 of residue 23
P7501
P4521
Atom H of residue 22
P4983
Atom OH of residue 59
Atom CB of residue 22
P4803
P5438
Atom CA of residue 22
P3838
P1831
Atom HB3 of residue 21
P4297
Atom HG23 of residue 17
Atom HA of residue 42
P7279
P1368
Atom H of residue 21
P2080
Atom CG of residue 21
P3824
P7722
Atom HG of residue 20
P7832
P8217
Atom HB2 of residue 20
P7265
Atom HA of residue 20
P4274
Atom O of residue 14
P1346
P7712
Atom HD3 of residue 19
P4269
P1811
P4267
P4258
P7705
Atom HB3 of residue 19
P2056
Atom HB2 of residue 19
P10073
Atom O of residue 19
P7698
P1334
P10070
PRO
P3796
Atom N of residue 19
P7802
P8187
Atom HB2 of residue 18
P6797
P5184
Atom HA of residue 18
P3785
Atom CG of residue 18
P1777
Atom CB of residue 18
VAL
GLU
P4410
P5796
Atom CD1 of residue 13
P5793
P1861
P1980
P4407
P5784
P4398
Atom N of residue 18
Atom HG22 of residue 17
Atom H of residue 64
P6720
P3718
P3277
Atom HG11 of residue 17
Atom H of residue 17
P3568
Atom O of residue 17
Atom HB2 of residue 16
Atom H of residue 16
Atom OE2 of residue 16
Atom HA of residue 46
P3617
Atom O of residue 16
P6458
GLU
P4756
Atom N of residue 16
Atom HD23 of residue 15
P5535
Atom HB3 of residue 2
P5526
P1641
Atom HD21 of residue 15
Atom H of residue 31
Atom HD13 of residue 15
P3339
P6916
P8500
P5301
P3318
P8491
Atom OE1 of residue 31
Atom HB3 of residue 31
P5298
Atom HB2 of residue 15
P1529
P4753
Atom H of residue 15
P3793
P3343
Atom CD2 of residue 69
P3352
Atom CD1 of residue 15
P6426
P6000
Atom C of residue 15
ILE
P6461
P6495
Atom CG2 of residue 14
Atom N of residue 61
P5289
Atom CB of residue 14
P2783
P8302
P2792
Atom CA of residue 14
ASP
P4766
Atom N of residue 14
P2457
P4457
Atom HG23 of residue 13
P4005
P3996
Atom HG22 of residue 13
P3954
P3945
Atom HG21 of residue 13
Atom CB of residue 51
P2411
P5505
Atom HG12 of residue 13
Atom HA of residue 13
P3326
Atom CD1 of residue 13
P1594
P3932
Atom HB2 of residue 56
P3923
Atom CG1 of residue 13
P5286
Atom CB of residue 13
P6455
P6489
Atom O of residue 13
P6283
Atom HG23 of residue 12
Atom HG22 of residue 12
P5371
P5368
Atom HG1 of residue 12
P3755
P3314
Atom HB of residue 12
Atom HA of residue 12
P4465
Atom H of residue 12
P7899
Atom CG2 of residue 12
Atom CB of residue 12
P2693
P7482
P7491
Atom HB3 of residue 67
Atom O of residue 12
P2317
P4364
P1598
P2738
Atom C of residue 12
Atom HZ3 of residue 11
Atom H of residue 57
Atom HG3 of residue 11
Atom HG2 of residue 11
P4463
Atom HB3 of residue 11
P4011
P4002
Atom HB2 of residue 11
P8006
Atom OE1 of residue 49
P5013
Atom H of residue 11
Atom NZ of residue 11
Atom CD of residue 11
P7609
P3213
P3204
Atom CG of residue 11
Atom N of residue 11
Atom CG1 of residue 3
P3616
Atom H of residue 10
P1282
GLY
P2107
Atom CB of residue 46
P3757
Atom N of residue 10
Atom CG2 of residue 9
Atom C of residue 9
P5767
Atom CA of residue 9
P8228
Atom HD21 of residue 8
Atom H of residue 69
P7529
P8412
Atom HD2 of residue 68
P7517
P2301
P8797
P8232
P7526
Atom HD12 of residue 8
P8224
Atom HD11 of residue 8
P1592
P1590
P2297
P2730
Atom HB2 of residue 8
Atom H of residue 8
Atom CD1 of residue 8
P8214
Atom CG of residue 8
Atom O of residue 8
P7497
Atom HG23 of residue 7
P6162
P7490
Atom HA of residue 7
P8207
Atom H of residue 7
Atom CA of residue 7
Atom HZ1 of residue 6
P1554
P8754
P4760
P2694
Atom HE2 of residue 6
P7470
P7479
Atom HG3 of residue 6
P7740
P7471
Atom NZ of residue 6
P1538
P8156
P7457
P2678
P8165
Atom CB of residue 6
Atom CA of residue 6
P172
Atom HG23 of residue 5
P171
Atom HG22 of residue 5
Atom HG13 of residue 5
Atom HB of residue 5
Atom CB of residue 5
P2327
Atom N of residue 5
P2328
P6284
Atom HD2 of residue 4
Atom HB3 of residue 49
P4548
Atom HD3 of residue 63
P7401
P6425
P6881
Atom HD1 of residue 4
Atom H of residue 4
P4009
P4000
Atom CZ of residue 4
P7813
P4814
Atom CD1 of residue 4
Atom CB of residue 4
P1346
Atom O of residue 4
P1
Atom C of residue 4
P4459
Atom HD13 of residue 3
Atom HD11 of residue 3
P3610
P5009
Atom HD12 of residue 67
Multivariate Normal distribution 5
P1142
P5006
P3
P3607
Atom HG13 of residue 3
P2283
P6201
Atom CD1 of residue 3
Atom O of residue 3
P6347
Atom N of residue 16
Atom CA of residue 3
P2884
Atom HD13 of residue 71
P2881
ILE
P4521
Atom HE22 of residue 2
P3921
P3915
Atom HB3 of residue 2
Atom HA of residue 2
P93
P8443
Atom CB of residue 2
P5931
Atom HD12 of residue 69
P4405
P5791
Atom CG2 of residue 44
P5788
P4402
P5779
P4393
Atom C of residue 2
P4475
P1
Atom CA of residue 2
P7735
Atom H of residue 68
GLN
P6774
P3762
Atom HG2 of residue 1
P4919
P1945
P5414
P4916
P5402
Chain A
PairScore 7
Model 395
P6378
P6366
phys
P5747
Atom CE of residue 33
P5756
P2250
P7553
ListSingletonContainer582
P6417
bonded
P2291
SingletonScore 9
DihedralSingletonScore4
UnaryFunction14
Atom C of residue 32
P8558
P8555
P13497
Atom CG of residue 29
Atom CB of residue 42
P8554
VAL
Atom C of residue 29
Atom HG3 of residue 31
P8541
Atom O of residue 30
P13491
Atom CE of residue 1
P8539
Atom N of residue 27
P2808
P3909
P7284
Atom HB2 of residue 28
P8538
P6769
Model 284
P8528
P8515
P7259
Atom NZ of residue 27
P8514
P8512
P7249
P8503
P8502
Atom N of residue 43
P6729
P8496
P8495
Atom NZ of residue 27
Atom HB2 of residue 25
P7227
P7230
P8486
P3208
P6201
Atom CE of residue 27
P1329
P6717
P6195
P3202
P6708
P8485
P8482
Atom OD1 of residue 25
P8479
LYS
P8478
Atom N of residue 27
P3195
P6188
P8477
Atom HG23 of residue 26
P12521
P8476
P3190
P6183
P8472
P7561
P4043
P8456
SingletonModifier 2
Atom HA of residue 8
ListSingletonContainer279
P8468
P3826
P2725
ASP
P2488
Atom CG of residue 24
P8463
Atom CB of residue 24
P8462
P4045
P8459
P6171
Atom HD11 of residue 8
P7550
P6168
P8458
P41
P8455
P6162
P8452
P6148
P8439
P5697
P7182
P6661
Atom HD12 of residue 23
P3146
P6649
P7170
P3140
Atom HG3 of residue 18
P6652
P7173
P8432
P0
P8425
P8424
P8421
P12460
P8418
P2437
SingletonModifier 0
P8409
Atom HG of residue 20
P8407
P12444
P8403
Atom HD1 of residue 4
P8402
P2030
P8401
P8395
Atom HD2 of residue 19
P8393
P2635
P3736
P7473
P155
Atom O of residue 20
Atom HD13 of residue 3
P8385
P8383
Atom N of residue 5
P12420
P8380
P8374
P2397
Atom H of residue 15
P12410
P8370
P2415
P5625
P3068
Atom CG of residue 15
P8367
P8360
P3950
P6576
P8359
P8358
P3061
P7094
P8357
P8356
P3562
Model 266
P8353
P12391
P1992
P8352
P12389
P8351
P98
P5606
P8349
P8368
P8348
P8347
Atom HG13 of residue 5
P3702
P3937
P8346
P2592
P8362
P8342
P8338
P8337
P7069
P7072
P8336
P3543
P3928
P3541
P8333
P8332
P8330
P3536
P12362
P8325
Atom OG1 of residue 7
P8323
P8322
P8320
P8317
P8316
P8315
P8313
P7042
P8311
P3516
P8307
P7036
P7039
P8305
P8302
P8301
P8300
P7423
P8299
P8297
P8294
P1
P8289
P3478
Restraint 137
P8271
P8267
Atom O of residue 39
Atom CA of residue 35
P8266
P8265
P6485
P3441
Atom C of residue 40
P8433
P6428
P5972
P3435
P8262
P6441
P5985
P8258
P7458
P8261
P59
P3438
Atom N of residue 40
P8259
P7456
P8257
P6935
P7444
P7447
P8249
P6933
P8247
Atom HD13 of residue 36
P8244
P6929
P8238
P6412
P8235
P8234
P4794
P4782
P5237
P11495
P6193
P8230
P4793
P388
P6192
P4781
P5236
GeneralizedGuinierPorodFunction 56
P8229
P4792
P2282
P3129
P6191
P4780
P5235
P8228
P4791
P6190
P4779
P5234
P8227
P4790
P6189
P4778
P5233
P8226
P5242
P4787
P6186
P8223
P6609
P8220
P2879
P8234
P6177
P8214
P6176
P8213
P5654
P6175
P8212
P6174
P8211
P5652
P6173
P8210
P6170
P8207
P3109
P6169
P6172
P1475
P8206
Atom C of residue 13
P6167
P8204
Atom C of residue 25
P9206
P8362
P8203
P8201
P8158
P8319
P5168
P8161
P8251
P1376
P8100
P1372
P6061
P8098
Atom C of residue 25
P8094
P8257
P6060
P8097
P6058
P0
P8095
P6057
P6056
P8093
P6046
P326
P6055
P8092
Atom CB of residue 32
P6054
Atom N of residue 25
P8091
P6052
P8089
P8249
P6051
P8088
P2110
P8075
P1
P7972
P8974
P7971
Atom CD2 of residue 53
P7970
P7969
P7968
P7964
P7963
P7962
P7958
P2451
P7961
PHE
P7960
P7955
P2448
P7957
P7965
P1744
P7956
Atom N of residue 38
P7954
P7953
P8559
P7952
P7951
P8558
P1730
P7950
P7949
P7947
P7946
P7944
P7943
P7942
P7941
P7940
P261
P7939
P7936
P1716
P7935
P7934
P2849
P4
P7932
P8540
P7931
P1
P7930
P2425
P7929
Atom O of residue 117
P7928
P2580
P1715
P7925
P7924
P7922
P7921
Atom H of residue 75
P7920
P1701
P7919
P7918
P252
Atom O of residue 116
P2564
P7917
P7916
P7915
LYS
P7914
P7913
P8522
P7912
P7910
P7909
P7908
P1687
P7904
P2402
P7907
P7905
P7901
P2399
P2551
P7903
Atom N of residue 6
P7902
P7900
P7899
P7898
P7897
P3
P7896
Atom CD of residue 41
P7895
P7893
P7892
P1673
P7889
Atom CZ of residue 112
P7887
P7883
P2383
P7886
P7885
P238
P7884
P5339
Atom O of residue 112
P7882
P8501
Atom HD11 of residue 73
P7881
P7880
ARG
P7879
P8880
P7877
P8879
P7876
P8878
P7875
P7874
P7873
P7870
P7868
P7867
Atom N of residue 73
P7866
P7865
P1658
P7861
P2363
P7864
P7863
P1630
P7843
P7840
P2342
P7838
Atom HG23 of residue 55
P8450
P7836
GeneralizedGuinierPorodFunction 44
P7835
P7834
P7829
P2334
P7832
Atom OD2 of residue 66
P7831
Atom HB3 of residue 71
P7830
P7826
P2331
Atom HA of residue 71
P1616
P7828
P4389
P4832
P7825
P7823
P7821
P7818
P0
P7817
ASN
P7814
P1602
P7813
P207
P7808
P2315
P7811
P7810
P7809
P7807
P7806
P7804
Atom N of residue 9
P7802
P7801
P8183
P7752
P1545
P11008
Atom H of residue 66
P5706
P7746
Atom HA of residue 66
P1532
P7729
P7712
P7698
P6075
P7688
Atom CD2 of residue 67
P1984
P7677
P2119
P7676
P7672
P7671
P7658
P7657
P0
P7597
P2542
P5036
P8383
P7581
P4144
P5035
P7577
P1791
P7580
P4142
P5033
P7578
P4139
P7584
P1388
P5030
P7575
P1798
P4138
P5029
P5023
P2486
P7574
P4137
Atom HG22 of residue 61
P5028
P7573
P4136
P5027
P7572
P4135
P5026
P5020
P2483
P7571
P4134
P5025
P7570
P4133
P5024
P7569
P4131
P5022
P1370
P7567
P2528
P5021
P7566
P4128
Atom HB2 of residue 57
P5019
P7564
P4127
P5018
P8368
P7563
P4125
P5016
P7561
P4124
P5015
P7560
P5013
P7558
P5012
P7557
P5010
P7555
P5009
Atom CA of residue 85
P7554
P1319
P5007
P1356
P7552
P5004
P7549
P5003
Atom C of residue 60
P7548
P7546
P2500
Atom N of residue 60
P7545
P8350
P5931
P7544
P7543
Atom HD2 of residue 59
P7541
P7540
P7539
Atom CA of residue 83
P8343
P7537
P4542
P7533
P4540
P7531
P4539
P7530
P4538
P7529
P4537
P7528
P7248
P7257
P2440
Atom CB of residue 59
P4535
P7526
P7525
Atom C of residue 80
P7517
P1735
Atom HB3 of residue 58
P7520
P7519
P2435
P2
Atom HA of residue 58
P8325
P7518
P7516
P7515
Atom N of residue 80
P7514
P4520
Atom CB of residue 58
P7512
P7511
P7509
Atom C of residue 79
P5896
P7507
P7502
P1721
P7505
Atom HG of residue 73
P7504
P7503
P7499
P5463
P7228
Atom C of residue 57
P7219
P7497
P1682
P4471
P7463
P2523
P7391
P7390
P2318
P7389
P7388
P7387
P7384
Restraint 31
P7382
P4835
P7381
P4833
P20
P7379
P4832
P7378
P2304
Atom CD2 of residue 50
P4830
P7376
P4827
P5336
P7373
P2505
P7371
P7354
P7351
P7338
P2271
P7337
P7070
P2270
P7058
P7067
Atom HB2 of residue 48
P7336
P7332
P1562
P7335
P7056
P7065
Atom H of residue 48
P2268
P7334
P7331
P7330
P7329
Atom CA of residue 13
P7328
P7327
P7326
P7325
P7324
Atom CG2 of residue 44
P7323
Atom CD1 of residue 43
P7044
P7053
Atom HA3 of residue 47
P7322
P7317
P1548
P7320
P2447
P7319
P7315
P7314
P7312
P7310
Atom O of residue 46
P7307
P2242
P7302
P1534
P7305
P7303
P7301
P7299
P7297
P7018
P7027
Atom HB3 of residue 45
P7296
P7295
P7294
P7292
P7288
P3811
P7262
P7259
P3809
Atom N of residue 21
P7254
P1489
P8259
P7257
P2397
Atom O of residue 41
P3804
P7252
P1496
P3803
P7251
P3802
P2192
GLN
P3801
P7249
Atom CG of residue 40
P8140
P7248
P3799
P7247
P2391
P7246
P7208
P1446
LEU
P7211
Atom HE22 of residue 41
P7209
P7204
P7201
Atom CA of residue 38
P7200
P7210
P2348
P7198
P7197
P2143
P7193
P1432
P7196
P7207
P2345
Atom HG3 of residue 37
P8087
P7195
Atom CA of residue 41
P8086
P7194
P7192
P2169
Atom N of residue 41
P7191
Atom CG1 of residue 29
P7190
P7189
Model 110
Atom OE1 of residue 41
Atom CB of residue 37
Atom HG3 of residue 40
P7187
P5149
P7186
VAL
P7184
P3718
P7166
P4620
P8166
P4172
P7165
P1679
Atom CA of residue 40
P4619
P8165
P4171
P7161
P1402
P7164
P4617
P8163
P4169
P7162
P6891
Atom C of residue 39
P4615
P8161
P4167
P7160
Atom O of residue 35
P4614
P4605
Atom CA of residue 39
P8160
P4166
P7159
P4613
P8159
P4165
P7158
GLY
P4611
P8157
P4163
Atom HA3 of residue 10
P7156
P4610
P4604
P1665
P8156
P1395
P4162
P7155
Atom CD of residue 11
P2308
P4609
P8155
P4161
P4600
Atom HG3 of residue 38
P7154
P1372
P7134
Atom HD11 of residue 36
P6852
P7132
Atom CG of residue 37
P7128
P1369
GLY
Atom CA of residue 9
P7131
P7130
Atom HD2 of residue 37
P8032
P7568
Atom HD2 of residue 33
P7127
P8018
P7554
Atom N of residue 37
P7125
P7556
P8020
P1636
P7124
P2269
P7123
P7122
P7121
Atom C of residue 125
P2266
P7120
P7119
P7118
Atom CD of residue 33
Atom HG13 of residue 36
Atom N of residue 125
P7117
Atom C of residue 37
P7557
P8021
Atom CG of residue 33
P7113
P1355
P7116
P10367
P7992
P7528
P492
P7111
P7110
P10380
P8005
P7541
P1622
P7109
P7108
P7107
P2080
Atom C of residue 36
P7106
P7104
UnaryFunction35
P1625
Atom OD1 of residue 32
P7103
P7101
P4097
P7100
P4094
P7097
P7092
P7091
Atom HG1 of residue 7
P7090
Atom C of residue 122
P7088
P2246
P7086
Atom CD of residue 34
Atom N of residue 122
P7085
P7084
P7082
P7081
P7079
Atom CA of residue 31
P10349
P1593
P7078
P7077
P7076
P7075
P4529
P7074
P7073
P7072
P7070
P2220
P7069
P7067
P10346
Atom HG13 of residue 30
Atom CB of residue 11
P2217
P7066
P10334
P1579
P7063
P7061
P7059
P7058
P7054
P8465
P7057
P7056
P10335
Atom C of residue 30
P7055
P10332
Atom N of residue 30
P7052
P7051
P7049
Atom CG of residue 39
Atom C of residue 11
P10319
P1565
P2201
P7048
P7047
P10314
Atom OD1 of residue 32
P7046
P7044
Atom O of residue 66
P7041
P7040
P7039
Atom HE22 of residue 31
P7037
P7036
P7035
Atom HG2 of residue 31
P7034
P1551
P7033
P10310
Atom C of residue 29
P7030
P7029
P7025
Atom OD2 of residue 39
P7028
Atom N of residue 29
P7027
P7026
Atom OE1 of residue 64
P7024
P7022
P7021
P7019
P7018
P2172
P7016
P7015
P7014
P7012
P7011
P7439
P2049
P7010
P7009
P7007
P7422
P447
P7005
P7004
P7435
P1523
P7003
P7013
P2169
P7001
P7000
P6998
P6981
P6980
Atom CG of residue 29
P10256
Atom O of residue 26
P6976
Atom O of residue 62
P6975
P6974
P10253
VAL
P10241
Atom C of residue 29
P2133
P6973
P10238
P7
Atom N of residue 29
P6970
P6968
P2057
P6967
P6966
P430
P6965
P6964
P6972
GLN
P6963
Atom HB of residue 61
P6961
P7952
P2046
P6960
P6958
P6969
P2126
P1480
P6957
Atom HZ2 of residue 27
P1804
P6956
P6954
P6953
P6950
P4901
P3
P6949
P1466
Atom HA of residue 27
P5332
P6945
P5331
P6944
P5330
P6943
P2039
P5329
P6942
P1790
P5328
P6941
P5327
P6940
P5326
P6939
P7949
Atom CA of residue 61
Atom O of residue 27
P6937
P5320
Atom HZ1 of residue 11
P6936
Atom N of residue 27
P3930
P6933
Atom HE1 of residue 59
P6916
P6914
Atom CD2 of residue 59
P6913
P1760
P6909
P6907
P6906
P6905
P7333
Atom CB of residue 25
P6904
P6902
P6901
Atom OD2 of residue 58
P6899
P6898
P6896
P6895
Atom CA of residue 75
Atom OE1 of residue 24
SingletonScore 20
P5277
P6890
P1407
P6879
P5274
Atom HB2 of residue 57
P1
Atom HD11 of residue 23
P4442
Atom HG of residue 15
Atom O of residue 20
P393
P1731
P6878
P4441
Atom HB3 of residue 15
P6877
P6876
SER
Atom HG21 of residue 23
P6875
P6874
P6873
Atom OD1 of residue 25
P6870
P6864
Atom O of residue 4
Atom O of residue 25
P6867
P6865
Atom CG of residue 19
P1393
Atom O of residue 23
P2106
P6872
Atom HD12 of residue 56
P1717
P6863
P4823
P6862
P6860
P6859
P7281
P1379
P2092
P6849
Atom CD of residue 18
P0
P379
P6845
P6843
P6839
P2088
P6842
P6841
P6840
Atom HG13 of residue 17
P1365
P6836
P3
P6782
P6781
P6740
Atom HB of residue 7
P1605
P6743
P6742
Atom NE2 of residue 49
P6741
P6737
P2133
P6735
P1591
Atom N of residue 7
P6731
P6730
P1590
P6727
P6726
P6725
P6487
P6693
P6701
Atom C of residue 47
P6486
P6692
P1814
P1747
P6485
P6691
Atom N of residue 12
P6481
P344
Model 91
P6484
P6690
P6698
P2086
Atom N of residue 47
Atom HG21 of residue 12
P6483
P6689
P6687
P6480
P2065
P6686
P7697
P6697
P1562
P6479
P6685
P6476
P1548
P6682
P6475
P6681
Atom CD1 of residue 13
P6474
P6680
P6473
P6679
P6472
P6678
P6482
P1800
P6470
P2
P6676
P6468
P6674
P1989
P6466
P1937
P6672
P6465
P6671
P6464
P6670
Atom HA of residue 45
P6668
P3218
P6667
P1544
P6666
P6459
P6665
P6458
P6664
P6456
P6662
P6657
P1923
P6454
P3
P6660
P6453
P6659
P330
P6656
P1534
P6655
P1759
P6469
Atom NZ of residue 11
P6654
P6653
P1520
P6652
Atom CD1 of residue 44
P6650
P6649
P1739
P4651
P6621
P3581
P6586
P6576
P3516
P6521
P4550
P3515
P6520
P1902
P6506
P6505
P6501
P1389
P6500
Atom HB3 of residue 16
P6499
P1914
P7838
P6451
P6449
P3411
P1815
P3420
P6425
P2975
P8036
P6936
P6424
P2974
P6226
P1888
P8035
P6935
P2973
P2952
P1812
P6422
P2972
Atom OD2 of residue 32
P6421
P2969
P8030
P6930
Atom HG3 of residue 31
P6418
P2967
P8028
P6928
P228
P6416
P6926
P6414
P2964
P6925
P6413
P2963
P6924
P6412
P2960
P8021
P6921
P8012
P8254
P6409
P2959
P1874
P8020
P6920
P6408
P2958
P8019
P6919
Atom CB of residue 31
P6407
P2957
P8018
P6918
P6406
P2940
P6389
P2936
P6385
P2933
P6382
P2932
P6381
P1833
P2931
P6380
P6379
P2929
P1846
P6378
P6373
P6372
P7960
P6369
P6368
P6367
P6366
P6365
P6364
P3355
P6360
P6118
P6324
P7327
P4712
P6117
Atom C of residue 70
P6323
P6331
Atom HG2 of residue 27
P6116
P6322
P3828
P3827
P6317
P6110
P6316
P6107
P6313
P7314
P4699
P6104
P6310
P7313
P4698
P6103
P6309
LYS
P6102
P6308
P7311
P4696
P7299
P4684
P2022
P6101
P6307
P7309
P4694
P6099
P6305
P7308
P4693
P4
P6098
P6304
P7307
P4692
P6094
P180
P6097
P6303
P7303
P0
P4688
P6093
P7302
P4687
P6092
P6298
P7300
P4685
P6090
P6296
P6089
P6295
P7298
Atom HD21 of residue 25
P4683
P6088
P6294
P7297
P4682
P7285
P4670
P2009
P6087
P6293
P7295
P4680
P2057
P6085
P6291
P7294
P4679
P6084
P7292
P4677
P6082
P6288
P7291
P4676
P6081
P6287
P7290
P4675
P6080
P6286
P7289
P4674
P4123
P6079
P6285
P7288
P4673
P4122
P6078
P6284
P4121
P6077
P6283
P7286
P4671
P4120
P6076
P6282
P6075
P6281
P6074
P6280
P7283
P4668
P6073
P6279
P7281
P4666
P6071
P6277
P7280
P4665
P6070
P6276
P7277
P4662
P6273
P7275
P4660
P6065
P6271
P7274
P4659
P6061
P166
P6270
P6269
P7272
P4657
P6062
P6268
P7270
P1995
P4655
P6060
P6266
P7269
P4654
P6059
P6265
P7266
P4651
P6056
P6262
P2042
P7264
P4649
P6054
P7262
P4647
P6052
P6258
P7261
P4646
P6051
P6257
P7258
P4643
P6254
P7856
P8549
P7257
P4642
P6047
P6253
P7256
P4641
P6046
P6252
P7254
P4639
P6044
P6250
P7252
P4637
P6248
P7251
P4636
P6041
P6247
P7250
P4635
P6040
P6246
P7249
P4634
P6039
P6245
P6244
P7247
P4632
P6243
P6242
P7245
P4630
P6241
P7244
P4629
Atom HG22 of residue 22
P6240
P7243
P4628
P6239
P6231
Atom H of residue 13
P6234
P7237
P4622
P6233
P6232
P7234
P4619
P6230
P7233
P4618
P6229
P6228
P7230
P4615
P6226
P7145
P6180
P2719
P6179
P6178
P6688
P5970
P3172
P6176
P5965
P122
P5968
P3170
P6174
P6685
P5967
P3169
P6173
P6679
P5961
P3163
P6167
P6678
P8456
P5960
P3162
P6166
P1963
P6677
Atom H of residue 1
P5959
P3161
P6165
P6676
P8455
P5958
P3160
P6164
P6675
P5957
P3159
P6163
P6674
P1942
P5956
P3158
P6162
P6673
Atom CB of residue 5
P5955
P3157
P6161
P6672
P5954
P3156
P6160
P7770
P6670
P5952
P3154
P6158
P7769
P6669
P4119
Model 59
P5951
P3153
P6157
P3147
P6151
P2106
P5948
P3150
P6154
P5947
P3149
P6153
P3145
P6149
P2104
P5946
P3148
P6152
P3
P5945
P5943
P1928
P5941
P3143
P6147
P8437
P5940
P3142
P6146
P5935
P3137
P4529
P6141
P5934
P4528
P3136
P6140
Atom HE2 of residue 4
P2093
P4527
P3135
Atom CB of residue 4
P6139
P4526
P3134
P6138
P4525
P3133
P6137
Atom CG1 of residue 3
P4523
P3131
P6135
P4522
P3130
P6134
P4521
P3129
P6133
P3127
P4519
P6131
P4518
P3126
P6130
P7729
P7094
P4517
P3125
P6129
P4513
P3121
P2080
P3124
P4516
P6128
P2678
P1918
P6127
P4512
P3120
P6124
P3117
P4509
P6121
P3113
P4505
P6117
P4504
P3112
P6116
P4503
P3111
P0
P6115
P4502
P3110
P6114
P4498
P3106
P6110
P2066
P3109
P4501
P6113
P4499
P3107
P6111
P4497
P3105
P6109
P4493
P3101
P6105
P3099
P4491
P6103
P4490
P3098
P6102
PairScore 6
P3097
P4489
Atom CD of residue 16
P6101
P91
P4488
P3096
P6100
P4487
Atom CB of residue 16
P3095
P6099
P7699
P1827
Atom CG of residue 11
P4485
P3093
P6097
P3092
P4484
P6096
P4483
P3091
P6095
P4479
P3087
Atom CB of residue 4
P6091
P3086
P4478
P6090
P88
P3085
P4477
P6089
P3081
P4473
P6085
P4470
P3078
P6082
P3076
P4468
P6080
P8379
P3070
P4462
P6074
P1977
P4461
P3069
Atom C of residue 7
P6073
P4457
P3065
P6069
Atom HD21 of residue 73
P8378
P4460
P3068
P6072
P4459
P3067
P6071
P4458
P3066
P6070
P4456
P3064
P6068
P4454
P3062
P6066
P3058
P4450
P6062
P4449
P3057
P6061
P8363
P4445
P3053
P6057
P6548
P6547
P2574
P6035
P6545
P6543
P0
P6540
P6538
P6537
P6025
P6534
P6022
P6533
P6021
P6532
P6020
P6530
P6018
P6529
P6017
P6527
P6015
P6013
P6524
P6012
P6523
GaussianProcessInterpolation76
P6011
P6521
Atom CZ of residue 74
P4
P6006
Atom CE of residue 11
P6009
P6520
P6008
P6519
P6007
P6517
P6005
P6516
P6001
P1954
P6515
P6003
P6513
P6512
P6000
P6511
P1943
P1960
P5999
P6510
P6509
P5798
P8306
P5997
P5994
P5992
P5991
P5990
P5977
P12739
P8240
P3480
P6476
P6470
P3474
P5964
P3479
P6475
P6934
P6469
P3473
P5963
P3477
P6473
Atom C of residue 59
P6467
P3471
P5961
P3476
P6472
P6466
P3470
P5960
P3475
P6471
P6465
P3469
P5959
P5958
P6463
P3467
P5957
P6461
P3465
P5955
P6459
P3463
P5950
P1907
P5953
P6458
P68
P5760
P3462
P5952
P3466
P6462
P6456
P3460
P6455
P3459
P5949
P5947
P5944
P3451
P5941
P3456
P31
P6452
P3450
Atom H of residue 57
P5940
P3448
P5935
P1893
P5938
P3445
P5729
P5929
P5928
P8456
P5926
P5925
P5923
P5919
P1878
P5922
P6423
P6414
P2495
P5911
P6419
P5904
P1864
P5907
P2498
P6417
P5905
P6415
P5903
P6412
P5900
P2893
P8421
P4285
P7490
P2473
P3914
P4282
P2890
P5896
P2478
P5892
P2475
P5889
P1849
P5888
P5886
P5883
P5881
P2459
P5871
P5869
P5867
P5866
P5864
P5861
P5860
P5858
P5848
P7225
P2
Atom HB1 of residue 28
P5847
Atom CB of residue 28
P2843
P4235
P4232
P2840
P2428
P3864
P5846
P7243
P8409
P5845
P5844
P8398
P5843
ALA
P5840
P5834
P5643
P6806
P3345
Atom HG13 of residue 13
P5833
P5832
P5830
P5826
P5823
P5816
P5815
P5814
P5811
P5810
P5808
P2403
P5806
P8362
P5801
P5800
P2397
P5799
P5797
P2394
P1340
P5796
P8361
P2052
P1343
P5794
P5793
P5791
P5780
P2048
P5783
P5781
P5779
P7120
P5717
P8446
P5715
P4085
P4073
P2060
P5707
P5706
P5705
P5704
P5703
P5702
Atom N of residue 19
P8433
P6655
ModelScoringFunction15
P5701
P5700
P5699
P5698
P5694
P1964
P5697
P6665
Atom CA of residue 71
Model 33
P6
P5696
P2058
P5695
P8399
P2272
P5459
P5665
P5663
P5662
P3672
P8534
P2648
P5654
P2
P4030
P4018
P2014
P5653
Atom HD1 of residue 68
P4028
P5651
P2656
P8541
P3668
P2644
P5650
P4026
P5649
P4025
P5648
P8530
P4024
P5644
P1917
P5647
P4023
Multivariate Normal distribution 39
P5646
P4022
P5645
P7472
P3735
P21
P2634
P2402
P12406
P2006
P8376
P5642
P5641
P3733
P7470
P2632
P8375
Atom CB of residue 68
P4017
P2249
P8373
P4015
P5638
P3975
P5599
P6995
P8300
P2590
P5597
P8257
P1818
P5553
P5552
P8254
P2546
P5551
P5547
P1815
P5550
P8253
P6926
P1917
P5549
P5548
P1
P7015
P7018
P8282
P5545
P111
P7013
P7016
P8281
P5543
P6046
P3570
Atom N of residue 63
P2160
P6928
P8236
P8346
P5542
Atom HG13 of residue 61
P5514
P5460
P3835
P1869
P5458
P3834
P5457
P5456
P3832
P5455
P2472
P3831
P5454
P5450
P2058
P3830
P5453
P1826
P3829
P5452
P3827
P3815
P1813
P3826
P5449
P3825
P5448
P3823
P5446
P3822
P5445
P3821
P5444
P3820
ListSingletonContainer546
P1855
P5443
P3818
P5441
P3817
P5440
P3816
P5439
P5438
P5436
P3812
P5435
P3809
P5431
P2445
P5415
P5414
P2442
P5412
P2115
GaussianProcessInterpolation68
P5395
DihedralSingletonScore1
P5394
P5392
P5391
P5390
P5388
Atom CD of residue 16
P5387
P5385
P2416
P5383
P6984
P1797
P5381
P8536
Atom OE2 of residue 51
P5379
P5377
Atom HG2 of residue 51
P5374
P5373
P5370
P5369
P5354
P2377
P8519
P5352
P3338
P5321
GeneralizedGuinierPorodFunction 31
P3337
P5320
P3356
P6933
P3335
P5318
ListSingletonContainer523
P3332
P5315
P3331
P5314
P3324
P5307
P2346
P3323
P5306
P3322
P5305
P3321
P5304
P2343
P3320
P5303
P3340
P6917
P3328
P1723
P3319
P5302
P3317
P5300
P6255
P6891
P3314
P5297
P6890
P1709
P3313
P5296
P3310
P5293
P3327
P5803
P3309
P5292
P3307
P3304
P5287
P3302
Atom CG of residue 31
P5285
P3299
P5282
P3295
Atom HG12 of residue 30
P5278
P3293
Atom HA of residue 30
P5276
P3298
P1695
P3289
P5272
P2314
P3288
P5271
P3287
P5270
ListSingletonContainer516
P3284
P8469
P5267
Atom H of residue 47
P3282
P5265
P3281
P5264
P3280
P5263
MD 6
LYS
P8458
P3632
P5257
P1680
P2297
Covariance1DFunction 82
P5046
P3627
P5252
P8452
P3622
P5247
P8449
ARG
Atom O of residue 7
P3625
P5250
P3623
P5248
P2289
Atom O of residue 46
P124
P1668
P5243
P6632
P6629
P5242
Atom NE2 of residue 2
P2287
Atom H of residue 2
P8447
P6631
P6628
P5241
P2279
P6630
P5045
P1665
P6627
P5240
P6626
P5239
P6625
P5238
P6624
P5237
P5235
P6
P5234
P5229
Atom CB of residue 12
P5232
P5231
P5228
P5226
P5224
P5223
Atom HD12 of residue 50
P5222
P5221
Atom HZ3 of residue 33
P5220
P6830
P5218
P8306
Atom HE2 of residue 33
P8316
P5216
P6175
P1635
P6172
P5208
Atom HB2 of residue 29
P6171
P5207
P6170
P5000
P5206
Atom HB of residue 44
P6169
P5205
P3525
P5150
P5148
Atom HD12 of residue 13
P5145
P61
P5140
P5139
P5136
P5133
P5131
P8234
P5130
Atom HG3 of residue 64
P5129
P5128
P5127
P5126
P5125
P5121
P1553
ListSingletonContainer579
P5120
P5117
P6107
P8422
P5107
P6495
P5105
P6493
P2152
P5103
P5099
P4890
P5096
P4888
P5094
Model 409
Atom CB of residue 38
P4887
P8409
P5093
Atom N of residue 39
P4886
P5092
P4883
P5089
P4882
P5088
P1511
P4880
P5086
P4878
P5084
P5966
P5002
P3017
P5001
P4999
P2468
P4998
P4997
P4995
P4993
P4991
Atom HG23 of residue 17
P4990
P4989
P4987
Atom H of residue 14
P4986
P1751
P4985
P4983
P4982
P2452
P4980
Atom HG2 of residue 34
P4978
P1419
P4977
P4976
P4974
P6577
Atom CB of residue 42
P1730
P2447
P4973
P4972
P4971
P1737
P2444
P4970
P4969
P5932
P4968
P4967
P4965
P4963
P1405
P4962
P4961
P4960
P4957
P4956
P4950
P2423
P4948
P4947
P6334
P3320
P4943
P1701
P4942
P4940
P1708
P4939
P4938
P4936
P4934
Atom O of residue 22
P5896
P4932
P4931
P2408
P4930
Atom CD of residue 24
Atom HA2 of residue 76
P4929
P4928
P4925
P1694
P4924
P2400
P4923
P3
Atom H of residue 24
P4922
P4916
P4915
P4914
P4913
Atom CD of residue 29
P4911
P4910
P4908
Atom HE3 of residue 27
Atom H of residue 28
P4907
P4902
P4901
P4900
P4899
P2379
P4898
P1659
P4897
P4896
P2376
P4895
P1666
Atom HB3 of residue 11
P4894
P8429
P4893
Atom CG of residue 27
P4684
P5886
P4886
P5855
P8422
P4695
ListSingletonContainer428
Atom HD2 of residue 27
P4683
P5885
Atom O of residue 33
P4885
P8421
P2364
P4681
P5883
P4883
P4680
P5882
P4882
P4679
P4678
P5880
P4880
P1651
P4676
P5878
P4878
P4675
P5877
P4877
P4674
P5876
P2359
P4876
P4673
P5875
P4875
P4671
P5873
P2356
P4873
P4669
P5871
Atom C of residue 22
P4871
Atom H of residue 26
P8396
P4668
P5870
P4870
P2354
P3245
P5833
P3233
Atom O of residue 57
P4867
P3244
P5832
P4866
P3252
P1641
P3243
P5831
P4865
P3241
P3226
Covariance1DFunction 77
P5829
P2349
P4863
P3240
P5828
P4862
P3238
P5826
P4860
P3236
P8393
P5824
P4858
P3235
P5823
P4857
P3232
P5820
P4854
P3230
P5818
P4852
P3229
P8387
P5817
P4851
Atom CA of residue 26
P3227
P5815
P4849
P4835
P4834
P4832
P2
Atom HG23 of residue 55
P4831
P4828
GLU
P8467
Atom H of residue 24
P4826
P4825
P8466
P4824
P6431
P5331
P4819
P5329
P4817
P6428
P5328
P4816
P5330
P6430
P5327
ScoreState 28
P1573
Atom HB2 of residue 54
P4815
P2238
P4743
Model 390
P4814
P6200
P2298
P4808
P4605
P5807
P4807
P8342
Atom N of residue 23
P4604
P2821
P4805
P8341
P4602
P5804
P4804
P4801
P2288
Atom CZ of residue 54
P4800
Atom O of residue 23
P4799
P4797
P4796
P4795
Atom HB of residue 5
P1545
P4765
P4764
Atom HZ3 of residue 33
P4763
P6376
P4762
P6375
P4761
P4760
P4756
Atom C of residue 20
P4755
P1524
P4753
Atom N of residue 20
Atom HB2 of residue 33
P4752
P1531
P2243
Atom H of residue 33
P4750
Atom H of residue 10
P4749
Atom H of residue 9
P5701
P132
P4748
P4747
P5243
P8269
P4732
Atom HG2 of residue 31
P4731
P8268
P4730
P4727
P4726
P4725
P1496
P4723
P4721
P1503
P4720
P5671
ListSingletonContainer572
P2214
P4718
P4717
P4716
P6
P2211
Atom NE2 of residue 31
P4715
P4713
P4712
P4711
P4710
P2206
P1482
P4708
P4707
P4706
P1489
P4705
P6318
P4704
P4703
P4702
Atom CA of residue 48
P4700
P4698
ListSingletonContainer259
P4643
P1384
P4642
P4641
P4638
P4636
P4635
P8518
P1376
P2137
Atom HB2 of residue 1
P4632
P26
P5598
P1372
P4631
P1419
P21
P2134
P4630
P4629
P4628
P4626
P2129
P4623
P4622
P4621
P4620
P1543
P4619
Atom C of residue 1
P4617
P1358
P4616
P4613
P8500
P4612
P8499
P4610
P4608
P4607
P4606
P4604
P4602
P4601
P1391
P4600
P4599
P4598
P4595
P4593
P4591
P1516
P4590
P4589
P4588
P4587
P1366
P4586
P1377
P4585
P4584
P1373
Model 414
P4583
P4582
P4579
P4578
P4574
P4572
P4570
P4569
P4565
Atom HG2 of residue 11
P4564
P4563
P4562
P4561
P4560
P4558
P4556
P4555
P2929
P4352
P4554
P4553
P4552
P4549
P2525
P4546
Atom HA of residue 14
P4545
P4544
P2522
P4543
P2906
P4533
P4532
P2903
P4530
P4803
P4528
P4527
P4524
P4521
P11292
P8236
P8024
Atom CB of residue 43
Atom N of residue 24
P4519
P4518
P4516
P4515
P4513
P6125
P4512
P2492
Atom HG13 of residue 3
P4510
P4509
P4508
P1436
P4505
P4504
Atom OD2 of residue 52
Atom O of residue 23
P4502
PairScore 12
P4501
P4500
P4498
Atom C of residue 11
Atom HD13 of residue 3
P4497
Atom HA of residue 12
P4495
P4494
P4493
Atom CB of residue 15
P4492
P4488
Atom C of residue 49
P4486
P4484
Atom H of residue 13
P4483
P4480
P4478
ARG
P4477
P4476
P2460
P1408
P4475
P4473
Atom C of residue 94
P4472
P7973
P4471
P4470
P4468
P4465
P5837
P4455
Atom CA of residue 3
P4453
P4450
P4446
P4454
P5836
P1387
P4445
Atom HB3 of residue 45
P4443
P4442
Atom CA of residue 46
P4441
P4439
P4436
P5976
P4435
Atom H of residue 32
P5975
P4861
Atom HE21 of residue 31
P4852
P8528
P4434
P4433
Atom CB of residue 45
P4432
P4864
P4858
P2352
P4428
P4863
P4427
P4862
P4414
P5800
Atom HG13 of residue 3
P4426
P4859
P4423
P4855
P4419
P4853
P8512
P4417
Atom HA of residue 44
Atom HD12 of residue 44
P1987
P1868
P4416
P5798
P4412
P5797
P4411
Atom CG2 of residue 109
P5795
P4409
P4396
P5782
Atom CG1 of residue 3
P5794
P4408
P4403
P5789
P5786
P4400
P8495
P5785
P4399
Atom HG23 of residue 7
Atom C of residue 18
P4401
P5787
P1840
Covariance1DFunction 70
Atom CZ2 of residue 108
P5783
P4397
P5781
P4395
P5780
P4394
P7823
P2320
P7820
P4390
P8503
P7819
Atom CG of residue 29
P1847
P4392
P5778
Atom O of residue 50
P5775
P4389
P7818
P4391
P5777
P5774
P4388
P8502
P7817
P4387
P11097
Atom N of residue 71
P11085
Atom HG21 of residue 9
P7814
P4375
Atom OE2 of residue 51
P5770
P4384
P4383
P7811
Atom HB3 of residue 68
P8478
P4381
P11081
Atom HA of residue 9
Atom HE2 of residue 1
P4380
P7809
P4379
P7808
P4378
P7805
P7803
P4373
P7798
P4368
P7797
P4367
P11067
Atom HD22 of residue 8
P7796
P4357
P1845
P4366
P7795
P4365
P11065
Atom HD13 of residue 8
P7794
P5896
P2294
P4364
P7793
P4363
P7790
Atom C of residue 19
P4360
P7789
P4359
P4345
Atom N of residue 113
P4344
P4328
P4327
P1784
P4326
P4324
P4323
P4322
P4320
P4310
P4319
P4316
P5855
P4305
Atom HB3 of residue 2
P4314
P4312
P4238
Model 366
Atom CA of residue 73
P4261
P4251
Atom HB2 of residue 45
P4260
P8373
P2198
Atom CA of residue 70
GaussianProcessInterpolation51
P4258
P5641
P4255
P4253
Atom HD2 of residue 72
P4252
P1714
Atom CD of residue 72
P4250
P4240
Atom O of residue 45
P4249
P4248
P4237
PHE
P4246
Atom H of residue 72
P4245
P2185
P4244
Atom NH1 of residue 72
P4243
P4241
P4228
Atom HB2 of residue 6
Atom HD13 of residue 71
P2169
P8342
P4234
P5776
P4232
P0
P5772
Atom HD23 of residue 71
P4231
P5771
P4230
P4229
P5769
GaussianProcessInterpolationRestraint 18
P5764
P2166
P4223
P5762
P1964
P1686
P4221
P5761
P4220
P8324
P4219
P4218
P8323
P4217
P5107
P4215
P4213
P4210
P4209
Atom CD2 of residue 15
P4207
P4197
P1665
Atom CB of residue 15
P1672
Atom HG13 of residue 70
P4206
P4205
P4203
P4200
P4198
Atom C of residue 70
P4195
P2140
P4194
P4193
Atom N of residue 70
P4192
P2137
P1658
P4191
P4189
P4188
P4187
P4185
P4184
P4180
P1644
P4176
P4175
P1798
P8280
P4174
P4173
P4164
P4162
P4160
P4150
Atom H of residue 14
P4159
P0
P4149
Atom C of residue 16
Atom ND1 of residue 68
P4158
P4156
P4155
P4153
P4151
P8023
P4139
Atom HE2 of residue 11
P8022
P4148
P1784
P8255
P8021
P4147
P8019
P4145
P4144
P8017
P4143
P8016
P8250
Model 362
P4142
P8015
P4141
P8014
P4140
P8013
P4129
P1980
P8012
P4138
P8252
P8010
P4136
P8009
Atom HG1 of residue 66
Atom CG of residue 67
P4135
P8008
P4134
P8007
P4133
P8004
P4130
P8244
P8001
P4127
UnaryFunction6
P8000
Atom CG of residue 16
P2539
P4126
P7999
P4125
P4124
P8363
P6767
P3306
P7187
P7181
P4123
P6765
P3304
P7185
P3298
P6759
P7179
P4121
Atom O of residue 66
P4113
P4111
P1752
P4109
P7183
P2387
P4108
Covariance1DFunction 89
P4107
P4106
P1337
P4105
P4103
Model 344
P4102
P4101
Atom CD of residue 27
P4096
P5494
P5491
P4093
P4092
P5490
P5478
P4080
P1975
Atom CD of residue 64
P5487
P4089
P4091
P5489
P5486
P4088
P5483
P4085
P4087
P1573
P5485
P2511
P5482
Atom HB2 of residue 64
P4084
P4086
P5484
P5481
P4083
P1734
Atom H of residue 64
P5480
P4082
P4071
P5469
Atom HG13 of residue 3
P5477
P4079
P1972
P5475
P4077
P5472
P4074
P4076
P5474
P1
P5471
P4073
P4072
P1559
P5470
P5467
P4069
P5466
P4068
P1720
P4070
Atom HZ3 of residue 63
P5468
P5465
P4067
P4056
Atom H of residue 24
P5463
P4065
Atom HG12 of residue 5
Atom CD of residue 63
P5462
P4064
P4066
Atom HE2 of residue 63
P5464
P4063
Atom O of residue 61
P4062
P4051
Atom CG of residue 24
P4060
Atom HB3 of residue 11
Atom HB2 of residue 63
P4059
P4058
P4055
P3982
Model 339
P4054
P4053
P1706
Atom HG2 of residue 62
P4052
P4050
P4048
Atom CG2 of residue 5
P4047
P4045
Atom HG1 of residue 12
P4042
Atom O of residue 62
P4041
P4040
P4039
P1692
P4037
P7912
P1678
P2466
P4034
Atom O of residue 5
P4033
P4032
P7909
P2463
P4031
Atom HA of residue 4
P4030
P4029
Atom CZ of residue 4
P4028
P0
Atom HB of residue 61
P4027
P4023
P4022
P4019
P4018
P7904
P1949
P4017
P4016
P4015
P4014
P4013
P4012
P4010
P4008
P7897
P1664
P4007
P4003
P7880
P2437
ILE
P4001
Covariance1DFunction 61
P3997
P4
P3995
P3994
P7882
P1650
P3983
Atom HB of residue 17
P3992
P3989
P3988
Atom CB of residue 59
P3965
P3964
Atom H of residue 17
Atom HG3 of residue 1
P3963
Atom HE2 of residue 1
P1622
P3962
Atom CB of residue 58
P3951
Atom O of residue 74
P3960
P5363
P7404
P3959
P3948
ARG
P3957
P3956
P3955
Atom HD3 of residue 37
Atom HB2 of residue 57
P7838
P3953
P8397
P1620
Atom CD of residue 51
P3952
P2389
P3949
P1608
P3947
P3944
P1342
Restraint 69
P3943
P3870
Model 327
P3942
P3941
P3930
Atom CA of residue 2
P3939
P3936
P3935
SER
Model 349
P3934
Atom CG of residue 50
P3929
P3928
P8361
P0
P7372
P3927
P3916
Atom HA of residue 12
P3925
P2362
Restraint 68
P3924
P3922
P3921
P3919
P3918
P1580
P2360
P3917
P7360
P4806
P5326
Atom HA of residue 49
P3915
P1566
P2357
Atom H of residue 55
P3914
Atom H of residue 35
P3913
P3912
P3910
Atom HG22 of residue 55
P3909
P3897
P1317
P3906
P3899
Atom C of residue 55
P3898
P7339
P7338
P2341
P3896
P7337
Atom N of residue 55
P3895
P7335
P3893
P7334
P3880
P2
P3892
P7333
P3891
P8227
P2301
P5298
P5301
Atom HA of residue 48
P7332
P3890
P7331
P3889
P4805
P7330
P3879
Atom HA of residue 11
P3888
P1559
P7329
P1552
P7327
Atom O of residue 42
P3885
P7326
Atom HB3 of residue 54
P3884
P7325
P3883
P7324
P3873
Atom CB of residue 54
Atom HB3 of residue 16
P3882
Atom OE1 of residue 16
P7323
P3881
P7321
P7320
P3806
Model 320
P3878
P7319
P3877
P7317
Atom H of residue 53
P3875
P7316
P3874
P7312
P7311
P3869
P2333
P7310
P3868
P7309
P3867
P7308
P3866
P7307
P3865
P5272
P5275
Atom H of residue 46
P7306
P2312
P3864
P7305
phys
P3863
P7304
Atom CD of residue 2
P3862
P7303
P1
Atom N of residue 4
Atom CB of residue 52
P2309
P3861
P7302
P3860
Atom HA3 of residue 10
P7296
P3854
P7295
P3853
P7294
Atom H of residue 10
P3852
P7293
P3839
Restraint 164
P3851
P7735
P10560
P5258
P7721
Atom HB2 of residue 45
P2317
P7292
P1378
P3850
P7291
P1375
GLY
P3849
P7290
P3848
P3847
P3834
P4
P3846
Atom HG22 of residue 9
P3845
P3844
P3843
P1510
P3842
P2426
Atom CA of residue 43
PHE
P5247
P5250
Atom O of residue 45
P8283
P7284
P2285
Restraint 64
Atom H of residue 9
P2222
P8282
GLN
P7283
P3838
P2424
P7282
P3837
P7281
P3836
P2219
P7280
P3835
P7279
P7278
Atom HB of residue 14
Atom HD13 of residue 8
Atom HD12 of residue 50
P3833
P8280
P7277
P2283
P3832
P2408
P7276
Atom C of residue 9
P3831
P7714
P3
P7271
P1505
P7274
P5361
P2280
P3829
P7273
P3828
P7272
P1496
P3827
P6992
Atom HB of residue 44
Atom HD21 of residue 8
P3825
P8266
P7267
Atom CB of residue 50
P7708
P3822
P8265
P7266
P7707
P8218
P3821
P7263
P7704
P3818
Atom HE22 of residue 49
P3805
P4
P7703
P3817
P5650
P7261
Model 428
P7702
P3816
LEU
P5649
P8263
P7260
P7701
Atom H of residue 8
P3815
P3814
P3813
P5356
P1482
P3812
P5362
Atom O of residue 8
P3809
P7694
P3808
P5358
P5357
P7690
P3804
P7689
P3803
P5347
Atom N of residue 7
Atom HZ1 of residue 48
P3794
P5346
P7679
P3793
P5345
P7678
P3792
P1412
Atom CD of residue 74
P3737
P3725
Atom HD13 of residue 73
P2
P3734
P1264
P3733
P3732
P1283
P1
P3731
P3730
P3728
Atom CD2 of residue 45
P3727
P1262
P3724
P5131
P5555
P7168
Multivariate Normal distribution 7
P3714
P5113
Atom CG of residue 73
P3723
P1398
P3720
P3719
Atom CE of residue 27
P3718
P5116
P3717
Atom HD11 of residue 44
P5114
P3715
P3716
P5115
P5112
P3713
Atom O of residue 63
P5111
P3712
P5109
P3710
LYS
P1231
P3700
P5099
P1312
Atom CA of residue 44
P3709
P3711
P5110
P3708
P1236
P5104
P3705
P2304
P5538
Restraint 120
Atom HA of residue 38
P1233
P5101
P3702
P1232
P5100
P3701
P1230
P5098
P3699
P5096
P3697
P5095
P3696
P2138
P5093
P3694
P7125
P1366
P1223
Atom HD11 of residue 43
P5089
P3690
P1224
P3691
P5090
P1221
P5087
P3688
P5086
P3687
P5083
P3684
P3686
P5085
P5082
P3683
P3685
P5084
P5081
P3682
P5080
P3681
P5079
P3680
Atom O of residue 43
P5078
P3679
P5077
P3678
P5076
P3677
P5075
P3676
P7110
P1352
P3664
P5063
Atom CB of residue 71
P5072
P3673
P5071
Atom HH21 of residue 42
P3672
P5069
P3670
P3671
P5070
P5067
P3668
P5066
P3667
P3669
P5068
P5065
P3666
P5062
P3663
P3665
P5064
P2129
P5061
P3662
P1330
P5059
P3660
P3661
P5060
P5057
P3658
P3659
P5058
P5055
P3656
P5054
P3655
P3657
P5056
P3
P5053
P3654
P5052
P3653
P5050
P3651
P3652
P5051
P5048
P3649
P5482
Atom HG3 of residue 34
Atom CG2 of residue 70
P5047
P3648
P3646
Atom HB2 of residue 69
P5042
P3643
P1797
P5041
P3642
P3644
P5043
P5040
P3641
P5039
P3640
Atom HE22 of residue 40
P5037
P3638
P5471
Atom CB of residue 34
P5036
P3637
P1158
P5024
P3625
Atom CG of residue 69
Atom CB of residue 41
P5033
P3634
P1168
P3635
P5034
P5031
P3632
P1164
P5030
P3631
P1162
P5028
P3629
P5015
P3616
P0
P1161
P5027
P3628
P1159
P5025
P3626
P1160
P3627
P5026
Atom HG3 of residue 33
Atom HG of residue 43
P5022
P3623
P5021
P3622
P5020
P3621
P3611
Atom CA of residue 40
P5010
Atom H of residue 68
P5019
P3620
P5018
P3619
P5016
P3617
P5013
P3614
Atom HZ1 of residue 11
P3613
P5012
P3612
P5011
P5007
P3608
PHE
Atom HH12 of residue 42
P5004
P3605
P5003
P3604
P3602
P4998
P3599
P1561
Atom CB of residue 32
P4997
P3598
P3600
P4999
P1755
Atom CD of residue 38
P4996
Atom CA of residue 39
P3597
P4995
P3596
P4994
P3595
P1329
Atom HG3 of residue 38
P4991
P3592
P3594
P4993
P4990
P3591
P4988
P3589
P4987
P3588
Atom HB3 of residue 38
P3590
P4989
P4986
P3587
P4985
P3586
P4983
P3584
P7970
Atom HB2 of residue 37
P4982
P3583
P3585
P4984
P1741
P4981
P3582
P4980
P3581
P4978
P3579
Atom HG2 of residue 41
Atom HD3 of residue 37
P4977
P3578
P3580
P4979
P4976
P3577
P4975
P3576
Atom CA of residue 31
P4974
P3575
P4973
P3574
P4972
P3573
P4962
P3563
Atom CA of residue 66
P4971
P3572
P4970
P3571
P4968
P3569
Atom O of residue 41
P3570
P4969
P1727
Atom O of residue 37
P4966
P3567
P4965
P3566
P3568
P4967
P4964
P3565
P5117
GLN
PRO
P4963
P3564
P4961
P3562
P4960
P3561
P4957
P3558
P3560
P4959
P4956
P3557
P3559
P4958
P4955
P3556
P4953
P3554
P4943
P3544
Atom HB2 of residue 64
P3555
P4954
P1713
P1385
P4951
P3552
Atom CB of residue 1
P1982
Atom CA of residue 30
P4941
P3542
Atom H of residue 64
P4949
P3550
P4948
P3549
P4947
P3548
P4946
P3547
P3545
P4942
P3543
Atom HG2 of residue 34
P4940
P3541
P4929
P3530
Atom HZ3 of residue 63
Atom HD3 of residue 11
P4938
P3539
P3540
P4939
P1699
P4936
P3537
P4935
P3536
P3538
P4937
P4925
P3526
Atom HE2 of residue 63
P4934
P3535
P4932
P3533
P4931
P3532
P3534
P4933
P4930
P3531
Atom O of residue 34
P4928
P3529
P3454
Model 311
P4916
P3517
Atom H of residue 63
P4922
P3523
P4919
P3520
P3521
P4920
Atom O of residue 75
P4917
P3518
P3519
Atom HB2 of residue 63
P4918
Atom HG2 of residue 33
P4915
P3516
GLY
P4525
P4914
P3515
P4913
P3514
P4911
P3512
P4910
P3511
P4907
P3508
P1863
P1671
P4906
P3507
P3509
P4908
P4905
P3506
P4895
P3496
Atom NE2 of residue 62
P4904
P3505
P4902
P3503
P4901
P3502
P3504
P4903
P4900
GaussianProcessInterpolation35
P3501
Linear1DFunction 15
Atom H of residue 74
P4899
P3500
P4898
P3499
P3497
P4896
P4893
P3494
P4513
P7900
Atom HD3 of residue 11
Atom CG of residue 74
P3493
P3490
P3489
P3488
P3473
P1
P3481
P3479
P3478
P1643
P3477
P3474
Atom C of residue 18
Atom HD13 of residue 73
P3472
P3469
P2051
P3467
P3466
P3464
P7341
P1629
P3462
Atom HH11 of residue 72
Atom CG of residue 73
ILE
P3461
P3450
Atom CG of residue 60
P3459
Atom CD1 of residue 59
Atom O of residue 25
P1312
P3457
P3456
Atom N of residue 13
ILE
P3455
ASN
Atom HB3 of residue 72
P3453
P3451
P3449
P3448
P3374
Model 313
P3446
P3444
P3442
P3441
P3440
P3439
P3430
P4828
Atom HA of residue 71
P4825
P3427
P3428
Atom HZ3 of residue 48
P4826
Atom CB of residue 59
P4823
P3425
Atom HD22 of residue 71
Atom CA of residue 31
Atom HE2 of residue 48
P3424
P3426
P4824
P3423
P3422
P3421
P3419
P1587
Atom HB2 of residue 48
P3417
P3416
Atom HG23 of residue 70
P3415
P3414
Atom HE1 of residue 4
P3413
Atom CB of residue 58
P3411
GaussianProcessInterpolationRestraint 1
P3410
P3409
P2109
P3408
P6853
P3407
Atom CB of residue 63
P3406
P2094
P3391
P3389
Atom O of residue 21
P3388
Atom HG of residue 69
P1559
P3387
P3386
P2085
P6831
ASP
P2087
P3385
P7771
Atom HG23 of residue 70
P3384
P3383
P2081
P3378
P3377
P367
Atom CD of residue 54
P6820
P10088
P1347
Atom C of residue 20
Atom CG1 of residue 70
P3373
P7251
P1545
P3372
P3369
P3368
P3366
P1537
Atom HE2 of residue 4
P7254
P2067
P3363
P3362
P3361
Atom C of residue 16
P3358
P1531
P3357
P3355
P3353
P3351
P3350
P3349
P2053
Atom C of residue 69
Atom HB2 of residue 15
P3348
P3347
P3346
P3344
P3340
P3339
P3338
Atom CD of residue 74
P3336
P3335
P3262
Model 309
P3334
P3333
P3332
Atom HD1 of residue 68
P3331
Atom CA of residue 74
P3329
Atom HA of residue 66
P3328
P1503
P3327
P3325
GaussianProcessInterpolationRestraint 0
P3324
P2035
P3323
Atom H of residue 72
P3322
Atom NH1 of residue 72
Atom CB of residue 68
P3320
P3319
P3318
P3316
Atom HA of residue 65
Atom HD22 of residue 67
P3313
P1489
P3312
Atom CD1 of residue 67
P2
P3311
P2058
P3310
P3309
P3307
Atom HB3 of residue 67
P3306
P4
Atom HA of residue 67
P3304
P3303
P1475
Atom HA of residue 66
P4100
P3293
P3291
P3290
P3289
P3288
Atom HZ3 of residue 63
P3287
Atom O of residue 10
Atom HE3 of residue 63
P3284
Atom HA of residue 65
P8202
P3283
P1461
P8201
P3282
Atom O of residue 66
P3281
P3720
P6722
P3279
THR
P3278
P3272
P3269
P1447
Atom C of residue 65
P3267
P3266
P3705
P6707
Atom N of residue 9
P1311
Atom N of residue 65
P3264
P3263
Atom O of residue 75
P3261
P3260
P2118
P3259
Atom HD2 of residue 63
P3699
P6701
P2105
GLY
P3258
P3256
P3695
P6697
P3254
Atom NE2 of residue 62
P3253
P1433
P3252
Atom HB3 of residue 8
P3251
P3690
P6692
Atom HD3 of residue 74
P3249
P3248
Atom HG2 of residue 74
P3247
P3246
P3245
P3685
P6687
P3244
P3684
P6686
P7134
Atom CG of residue 8
P2091
P3660
P61
P3243
P3242
P1318
P3241
P3239
P3238
LEU
P1419
P1
P3237
Atom CG of residue 74
P3236
Atom HG22 of residue 7
P3233
P3232
Atom HG1 of residue 7
P3231
P3230
P3229
P3669
P6671
P2077
P3228
P3227
Atom NE of residue 72
P3226
P3220
P8139
P3223
P8140
P3221
P3219
P3218
P3217
Atom HD21 of residue 71
P3214
P3201
P0
P2063
P3213
Atom C of residue 73
P3211
P3209
P1391
P3207
P3206
P3
P3154
P3153
P3109
P3108
P3106
P3104
P2
P3102
P3101
P3099
Atom NH1 of residue 54
P7494
Atom HD22 of residue 67
P3096
P7492
P3094
P7489
P3091
P3097
P7495
P7486
P3088
P3095
P1968
P7493
P3
P7484
P3086
P3052
Atom O of residue 67
P3051
P3049
LEU
P3048
Atom HG12 of residue 36
P6490
P3044
P6487
P3041
P6486
P3040
Atom HA3 of residue 35
P6485
P3039
P6484
P1905
P3038
P6480
P3034
P1877
P6479
P3033
P6478
P3032
P6477
Atom CD1 of residue 50
P3031
P6474
P3028
P3
P6473
Atom HE3 of residue 63
P3027
P6472
P3455
P6913
P3026
P6483
P1360
P0
P6471
P3025
P6470
P3453
Atom HA of residue 50
P6911
P3024
P6469
Atom CB of residue 65
P3452
P6910
P1891
P3440
P6898
ListSingletonContainer459
P3023
P6467
P3021
P1863
P6464
P3018
P248
P3446
Atom HA of residue 64
P6904
P3017
P6462
P2083
P3016
P6460
P13238
P3014
P6459
Atom O of residue 11
P3013
P6458
Atom HG22 of residue 3
P13237
P3012
P6468
P1346
P6456
P3010
P1918
P6455
P3009
P6466
P1344
P6429
Atom O of residue 49
P1877
P3008
P6453
P1317
Atom HG12 of residue 17
P3007
P3006
P3004
P3003
P3002
P3001
P2999
P2998
P4551
Atom HD3 of residue 48
Atom HA of residue 62
P2997
P2996
P3412
P176
P2995
P3411
ListSingletonContainer455
Atom HG2 of residue 48
P13220
P2994
P1863
P1
P2993
P2992
P2991
P2987
P2986
P2984
Atom O of residue 48
P2983
Atom HB3 of residue 62
Atom HG21 of residue 17
P2982
P2981
LYS
P2980
P2933
P7852
P7855
P2936
P2932
P7851
P7854
P2935
P3375
P6377
P2931
P7850
P7853
P2934
Atom HD11 of residue 44
P2929
P7848
P2928
P7847
Atom CE2 of residue 59
P6375
Atom CD1 of residue 59
P2926
P7845
Restraint 167
P2925
P1849
P7844
P2924
P7843
P13295
P7846
P2927
P2
P2923
P7842
Restraint 170
P2921
P7840
P2920
P7839
P2922
P2918
P7837
P2917
P7836
Atom O of residue 44
P2915
P7834
P2914
P7833
Atom HA of residue 58
P2913
P7832
P7835
P2916
P2912
Atom OD1 of residue 58
P7831
ILE
P2911
P7830
P2910
P7829
P2908
P7827
P2907
P7826
P7828
P2909
P13404
P2906
Atom HG of residue 57
P2905
P2903
P2902
P2901
P2900
Atom CE1 of residue 59
P2899
P2898
P2897
P2895
P2894
P2892
P2888
P13386
P2887
Atom H of residue 58
Atom HE2 of residue 6
P2885
P2891
P7289
P2882
P13380
P2881
P2874
P6319
P2873
Atom HA of residue 57
P2871
P2870
P2869
Atom HD13 of residue 13
P2867
Atom N of residue 42
P2866
Atom CA of residue 36
P2865
P2863
Atom HG3 of residue 41
P2862
Atom HD21 of residue 56
Atom HB2 of residue 41
P2859
P2857
P2856
P2855
P2854
P2829
P2826
P2824
P6243
Atom CZ of residue 54
Atom H of residue 39
P3242
P2547
P6246
Atom HG of residue 43
P2822
P2821
P2820
P3239
P4804
P2819
Atom HA of residue 52
P2815
P2814
P2810
P13125
P2809
P2808
P2807
P13122
P2805
P2802
P2799
P2797
P113
P6219
P1332
P2795
Atom HE22 of residue 41
P2794
P2791
P13106
P2788
P2787
P2786
Atom HD22 of residue 50
P2785
P2783
P2779
P2777
Atom HA of residue 50
P2776
P2775
Atom CD1 of residue 50
P2774
P2773
P2772
P2771
P2770
P2769
P2768
P2766
P2765
Atom CG of residue 33
P2763
P2761
Atom CB of residue 8
P2759
P2757
P2756
P2754
P99
Atom H of residue 40
P2753
P2752
Atom O of residue 49
P2751
P2750
P2749
GLN
P2748
P2746
P2745
P13095
P2744
P2743
P0
Atom OE2 of residue 34
P2742
P3158
P94
P2741
Atom H of residue 35
Atom O of residue 50
P2740
P2739
P3155
P93
P2738
LEU
Atom HG2 of residue 48
Atom C of residue 64
P2737
P7135
P2736
P3152
P92
P2735
Atom N of residue 64
P2734
P2731
P2729
P2728
Atom HD2 of residue 48
P2725
Atom HG1 of residue 14
P2724
P2721
P2720
Model 292
P2718
P2717
P2715
Atom O of residue 42
Atom HE3 of residue 48
Chain A
P2712
P13437
Atom HB3 of residue 46
P2711
P2710
P13435
Atom HA of residue 46
P2709
P2
P2707
P2706
P2705
Atom C of residue 49
P2704
Atom H of residue 32
P2703
P2702
P13426
P2698
Atom HD2 of residue 45
P2697
P2696
P2695
P2693
P2692
Atom HE21 of residue 31
P13419
P2691
Atom HA2 of residue 47
P2689
Atom HB3 of residue 31
P2688
P2687
P3106
P8562
Atom CA of residue 26
P13366
P2686
P2684
Atom HG21 of residue 44
Atom HB3 of residue 25
P2681
Atom HG22 of residue 14
Atom HA of residue 25
Atom CA of residue 45
P2679
Atom O of residue 46
P13356
P2675
Atom CE2 of residue 45
Atom N of residue 31
P3094
P8550
P2674
P2673
ALA
P2672
P2670
P2669
P2667
P2664
P2663
P2662
Atom H of residue 45
P3078
P24
P12881
Atom O of residue 44
Atom N of residue 14
P2661
P2660
P2659
P12878
ILE
P2658
P13338
P2656
ListSingletonContainer222
Atom CB of residue 30
P2655
P12862
Atom HZ1 of residue 27
P2651
P3067
P21
P2650
P2649
P2643
P13314
P12853
Atom HG2 of residue 49
P2642
P3058
P173
P2641
P2640
P12865
Covariance1DFunction 47
ListSingletonContainer586
P2633
P64
Atom HG3 of residue 11
P2632
P2631
P2628
P2626
P2625
P2622
P12831
P7529
Atom CG of residue 50
P2620
P2619
P2615
P2614
P2613
P2610
Atom HD12 of residue 8
P2607
ARG
P2606
P2601
P2600
P2599
P2598
P2597
P2596
P6995
P2594
Atom CG of residue 41
P1860
P2593
P2592
P2590
P6038
P2589
P3476
P8471
P2588
P3474
Atom CA of residue 27
P8470
P2586
P2555
P2554
P2552
P2952
P2547
P2546
P6046
P3688
P2542
P7411
P2539
P2576
ListSingletonContainer388
P2536
P5580
P2534
P2573
P7
P6969
P6
P2533
P5577
P2531
P6016
P2527
P3670
P2526
P12275
P2525
P12272
P2522
P2560
P2521
P7389
P7374
P95
P2519
P2557
P2518
P7386
P94
P2516
P2508
P6435
P5987
P2501
P5984
P2498
P3638
P2497
P3635
P2494
P6417
P6938
P2493
P5515
P2977
P2487
Atom HB3 of residue 38
P2486
P2485
P2481
P142
Atom HG3 of residue 38
P2478
P2476
P2472
P2959
P2471
P3603
P2465
P5433
P6394
P6385
P2464
P5434
P6819
P6387
P3446
P6816
P5428
P2460
P7323
P2459
P12200
P6377
P2457
P7320
P2456
P12197
P2454
P3363
P3585
P2449
P2448
P5483
P2446
P2445
P6893
P6372
P2441
P6881
P6363
P6884
P2444
P2927
P2442
P6369
P6878
P7302
P2440
P2924
P2439
P2435
P2432
P5462
P2427
Atom HD23 of residue 15
P5389
P6350
P6341
P2424
P3331
P43
P3328
P2422
P3553
ListSingletonContainer167
P7280
P2420
P2416
P2412
P6849
P6852
P2415
P6846
P2406
P2398
P2397
Atom CG2 of residue 55
P2395
P3299
P3296
P2393
P3518
P7245
P81
P2388
P2387
P2384
P3
Atom HD2 of residue 54
P2382
P2380
P68
P2379
P2377
P6294
P6285
P2373
P2371
P12100
P2366
P2365
P2362
P88
P2361
P2358
Atom HB3 of residue 52
P2355
P3329
P5312
P2354
P3326
P5309
Atom OD2 of residue 52
P2351
P12082
P2350
P6262
Atom HG21 of residue 30
P6253
P2344
P2345
P3243
P5812
P3240
P2342
Atom CD1 of residue 30
P2339
Atom CG2 of residue 30
P2335
P6764
P6767
P2338
P2810
P2336
P2332
P2331
P2329
P5353
P6244
P6235
P2328
P2327
P3297
P5280
P5793
P2325
P2324
P3294
P5277
Atom CA of residue 60
P2322
P5336
P7171
P12050
P2321
P1
P6743
P6746
P2319
P12047
P2318
P2310
P2306
ListSingletonContainer99
P2305
ListSingletonContainer236
P2302
P2300
P5319
P3193
P3415
Atom H of residue 58
P2295
P2293
P12018
P2292
P12015
P2289
P2286
P2284
P6190
P2277
P6187
P2276
P9742
P8480
P2274
P11997
P2273
P6686
P6689
P2267
P3383
P2266
P5284
P2268
P3
P3158
P6168
P2725
P6159
P2259
P2257
P6165
P2722
P6156
P2256
P6167
P5203
P1759
P2255
P2254
P2249
P2248
P2247
P5706
P2246
P5703
P2243
Atom HB2 of residue 62
P2242
VAL
P6147
P2704
P6138
P2240
Atom CD of residue 62
P2237
P2231
P2228
P2702
P8430
P6133
P2690
P6124
P2227
P2219
P6636
P9665
P1725
P6639
P2222
P6633
P5671
P2214
P8416
P2213
P5222
P2209
P7054
P3316
Atom HD2 of residue 6
P2205
P11921
P2204
P11918
P2201
PHE
P2200
Atom NE2 of residue 41
P6611
P6614
P2199
P2197
P5138
P2196
P2194
P2193
P1691
P2189
P7033
P3295
P2186
P5639
P11900
P2185
P11906
P6083
P5634
P2640
P6074
P2182
P2180
P6080
P5631
P1688
P2637
P9618
P1681
P5188
P2178
P2177
P5185
P2175
P2170
P6582
P6585
P2173
P2171
P6579
P2168
P5106
P2167
Atom OE1 of residue 40
P2166
P6494
P5104
P6576
P2165
P6062
P6050
P6571
P5613
P2619
P6574
P6053
P2163
P2157
Atom CG of residue 40
P2154
P2152
P2151
ARG
P6569
P6048
P6557
Atom CB of residue 39
P6039
P6560
P2150
P2148
P8347
P2147
P2144
P5584
P2135
P2131
P6539
P6542
P2134
P6536
P5
P2130
P2127
P2123
P3379
P3376
P2457
P7254
P2122
P5863
P2114
P6861
P2113
P2108
P8308
P6821
P3360
P8408
P7241
P3354
P6815
P7235
P2102
P2103
P5859
P6361
P2094
Atom N of residue 15
P8401
P2101
P2100
P2098
P8407
P5837
P2093
P8400
P7226
P3339
P6800
P7220
P2088
P5621
P2080
P6330
Atom HD12 of residue 71
P5822
P5819
P2079
P13495
P8543
P2072
P2812
P4204
P3833
P4201
P2809
P5812
P2069
P2064
Atom O of residue 3
P3321
P6317
P6776
P3315
P7196
P3309
P6770
P2053
P1344
P7190
P2060
P2059
P2056
P2797
P4189
P3818
P4186
P2794
P2055
P3406
P2965
P2050
Atom HE3 of residue 1
P6816
P13529
P12628
P2049
P6289
Atom HD2 of residue 74
P2046
P2040
P5565
P2033
P6736
P3275
P3
P2028
P2026
P7152
P6726
P7149
P2027
P5761
P6274
P6761
P5759
P2025
P5549
P2018
P2017
P7140
P6714
P2013
P6259
P6746
P2011
P2742
P4134
P3763
P4131
P2739
P2009
P3245
P2000
P1999
P5537
P2333
P6731
P1997
P3169
P2486
P8460
P6243
P1996
P2727
P4119
P3748
P4116
P2724
P1995
P5725
P1993
P5519
P1989
P6684
P1985
P6716
P1983
P6228
P1982
P2709
P3733
P1981
P5713
P1979
P5504
P1976
P3215
P1972
P6669
P1971
P6701
P1969
P3718
P2694
P1967
P1965
P1961
P1958
P6654
P1957
GeneralizedGuinierPorodFunction 36
P7079
P6686
P1955
P5682
P5679
P1950
P1947
ScoreState 40
P1944
P6639
P1943
P2046
P7064
P6671
P1941
P5660
Atom HG21 of residue 22
P8404
P8561
P6183
P1940
P1936
P5664
P1933
P3170
P1930
P6627
P2267
P2420
P8392
P2032
P7049
P7043
P1928
Atom HB3 of residue 19
P8391
P6656
P1927
P8389
LEU
P3673
P2649
P5652
P1925
P2022
P2646
P3670
P1923
P1922
P3155
P1916
Model 32
P6608
P1914
P6647
P2017
P7033
P5455
P6153
P1912
P3658
P2634
P5637
P1911
P5631
P8372
P2008
P2631
Atom HG of residue 67
P3655
P5635
P1909
Covariance1DFunction 87
P1908
P1901
P6593
P1900
P6632
P2003
P7018
P5440
P6138
P1898
P2619
P5421
P6119
P3643
P1897
P2005
P8515
P1894
P5620
P5617
P1892
P3125
P1888
Atom CA of residue 67
P2606
P6590
P6125
P1886
P3
P1884
P5424
P3646
P6122
P0
P6104
P3628
P1883
P1881
P2597
P1880
P3695
P8340
P1877
P3110
P5598
P1874
P2591
P1873
P3107
P6563
P1872
P1974
P6987
P3631
P6107
P1869
P3967
P1868
P1867
P2582
P1866
Atom OG of residue 65
P1864
P5589
P5586
P1863
P3095
P1860
P1969
P8285
P7184
P6548
P1858
P1968
P8284
ListSingletonContainer566
P2575
P6581
P1857
P8319
P1960
P6972
P8318
Atom O of residue 65
P3616
P6092
P6074
P3598
P1855
P3952
P1854
P1853
P1963
P8278
P2191
P1851
P8312
P2566
P1850
P1846
P1842
P1840
P3904
P1838
P1837
P1836
P1834
Atom N of residue 62
P1829
P1317
P5561
P5558
P1825
P0
P8296
P2176
P6558
P1824
P6949
P3593
P6069
P6051
P3575
P1822
P5555
P1820
P8290
P1819
P6564
P8256
P1817
GeneralizedGuinierPorodFunction 34
P1816
P1812
P8266
P6510
P1811
P1631
P5570
P1809
P1808
P11829
P3434
P1807
P8317
P3432
P1805
P6521
P6524
P1804
P1801
P3215
P2
P1800
P0
P2562
P1798
P5112
P3422
P1795
P11815
P1794
P1793
P1791
P6509
P1790
P1785
P1784
P5540
P1781
P5096
P6498
P1780
P11799
P1779
P1777
Model 204
P2964
P2958
P6490
P2961
P1775
P1773
P3399
P1771
P1768
P5525
P1767
P5081
P1766
P11784
P1765
P1762
P11786
P3392
P6481
P2949
P2943
P6475
P3389
P2946
P6478
P1761
P5965
P3170
P1758
P2536
P1
P5514
P1757
P1756
P1754
P8225
P1753
P4994
P1750
P2527
P6887
P1748
P6466
P2934
P3373
P2928
P6460
P2931
P6463
P1747
P5950
P3155
P1744
Covariance1DFunction 25
P1743
P1740
P5506
P5051
P8209
P5039
P5494
P1738
P4979
P1736
P6872
P1734
P2919
P3369
P5935
P1732
P3140
P1730
P1728
P1726
P1725
P5491
P5036
P2504
P8194
P5024
P5479
P1724
Atom O of residue 10
P4964
P6433
P1722
P6857
P1720
P2904
P5919
P5910
P1717
P1715
P2494
P6428
P1714
P1712
P5904
P3330
P6413
P8167
P3
P3333
P6416
P1703
P1700
P1698
P1697
P5006
P8164
P8173
P1696
P4933
P3323
P1693
P2471
P1690
P4997
P2470
P6398
P6401
P1689
P1686
P1683
P2461
P11693
P1680
P4918
P5434
P1679
P6812
P1678
P1676
P6383
P6386
P1675
P1672
P3300
P1669
P8134
P8143
P1668
P11678
P1666
P4903
P1665
P6797
P6794
P5415
P8139
P1664
P8538
P1658
P2438
P1656
P2437
P5849
P1655
P4961
P3277
P8119
P8128
P1654
P1652
P2
P11662
P1651
P2829
P1648
P1644
P2404
P0
P1642
P5834
P1641
P1638
P11647
P1637
P4670
P5872
P4872
P5388
P6767
P6764
P5385
P1636
P2814
P1634
P1630
P1627
P1627
P3237
P5825
P4859
P8098
P1626
P11632
P1623
P2405
P5373
P6752
P6749
P5370
P1622
P2799
P2796
P1621
P1620
P4924
P3020
P1618
Atom HD22 of residue 25
P165
P4846
P1614
P6317
P1613
P2395
P1612
P11617
P1609
P2784
P5354
P2781
P1607
P1600
P3237
P5786
P1596
P4827
P11602
P1595
P1594
P2769
P5342
P6721
P1592
P1585
P5777
P1584
P11587
P1581
P1580
P2754
P6706
P2362
P1578
P1574
P1571
P1564
P6261
P6264
P1561
Atom HE2 of residue 33
P4759
P1530
P1528
P1524
P3161
P2694
P8392
P6646
P1522
P1515
P1513
Model 183
P7966
P1511
P2296
P1510
P11513
P2679
P6631
P7972
P1508
P1505
P5682
P126
P4729
P1502
P3135
P1499
P1498
P1309
P1496
P2664
P6615
P1494
P4789
P1490
P6188
P4777
P5232
P8225
P11493
P1493
P4714
Atom NE of residue 14
P1488
P2272
P1485
P1484
P7936
P7945
P1483
P1482
P2649
Atom CA of residue 14
P2646
P1481
P11478
P1479
P8209
P2870
P1478
P5226
P4771
P2263
P1476
Atom HG23 of residue 7
P4699
P1474
Atom CA of residue 13
P7930
P1469
P7920
LYS
P1468
P6585
P1466
P11463
P3102
P1465
P2855
P1464
P4756
P1462
P1458
P3092
P1455
P2619
P2840
P9179
P2825
P8336
P11447
P1450
P4741
P1448
P1445
P2230
P5625
P1439
P6555
P1438
P1437
P8172
P2223
P8160
P8320
P5170
P8163
P1435
P3069
P1431
P1430
P5610
P8314
P5601
P1428
P3056
P7875
P7884
P1426
P1425
P1423
P9164
Atom HG23 of residue 9
P2810
P11417
P1422
P1420
P4639
P8154
P2207
P5599
P7862
P7
P5152
P8145
THR
P1418
P5597
P1416
P11406
P1415
P1414
P5594
P7859
P7868
P1411
P1409
P4696
P1406
P1401
P7844
P3036
P7853
P1397
P1395
P9137
P2780
P1394
P8288
P4681
P1392
P5120
P4609
P2
P8115
P1390
P5121
P1389
P1388
P3026
P8262
P1387
P2173
P7829
P1383
P1382
P1381
P2765
P1380
P4594
P330
P1364
P2748
P324
P4577
P6049
P1358
P5088
P2998
P1356
P1355
P7
P1354
P1347
Atom HG3 of residue 1
P3749
P1342
P5517
P1338
Atom CB of residue 16
P5065
P2540
P1337
P2719
P2986
P5513
P1336
P1330
P4674
P4209
Atom H of residue 46
P4197
P4662
P1325
P2186
P1324
Atom C of residue 1
P2653
P1323
Atom N of residue 63
P7924
Atom CA of residue 63
Atom HD11 of residue 13
P2731
Atom HG11 of residue 17
Atom CG2 of residue 55
P6996
P6540
P1960
P1316
P7019
P4673
P4522
P8036
P1315
P1312
P1309
CHARMMStereochemistryRestraint4
P4487
P7306
Atom CA of residue 11
P3647
P5046
P4726
P1434
P5359
P7692
Atom OG1 of residue 66
P3037
P2880
P2727
P5323
P4281
P7668
Atom HA2 of residue 76
P6711
P3709
P3268
Atom O of residue 76
Atom CB of residue 63
Atom C of residue 76
Atom C of residue 75
Atom CA of residue 75
P2104
Atom N of residue 75
P2101
Atom HH12 of residue 74
P4253
P2100
P4262
Atom HH11 of residue 74
P3240
P2098
P4795
Atom HB2 of residue 8
Atom HD2 of residue 74
P6665
P3
Atom HB3 of residue 74
P4251
Atom NH2 of residue 74
Atom CB of residue 74
P4783
Atom HD23 of residue 73
P7101
ListSingletonContainer158
P1416
P7113
Atom HZ2 of residue 6
P1409
P8142
Atom HD21 of residue 73
P1408
Atom HD13 of residue 73
P1405
P3222
Atom HG of residue 73
Atom N of residue 62
P6664
P1404
Atom HB3 of residue 73
P6457
P6663
Atom CG of residue 73
P6650
Atom HH22 of residue 72
P4758
Atom HH11 of residue 72
P4212
Atom HE of residue 72
Atom HD2 of residue 59
P3197
Atom HB3 of residue 72
P6639
Atom HB2 of residue 72
P4747
Atom NH2 of residue 72
P3186
Atom CB of residue 72
P6628
Atom O of residue 72
P4183
P2040
P4192
Atom CA of residue 72
P6625
ARG
Atom HB2 of residue 72
Atom CG of residue 71
Atom HA of residue 72
P8080
Atom CB of residue 71
P4559
Atom CA of residue 71
P2019
P2885
LEU
P3158
P1343
P2017
P2
Atom HG23 of residue 70
P7052
P4706
P8069
Atom HB of residue 70
Atom H of residue 70
P8064
Atom CG2 of residue 70
P3147
Atom CG1 of residue 70
P6589
Atom CB of residue 70
Atom O of residue 70
P6582
P4146
Atom HD22 of residue 69
Atom HD21 of residue 69
P8052
Atom HD13 of residue 69
P6575
P4139
Atom HB3 of residue 69
P6573
P4137
Atom HA of residue 69
Atom HB2 of residue 56
Atom HG21 of residue 70
P8041
P4524
Atom CG of residue 69
Atom HG13 of residue 70
P2849
Atom CB of residue 69
Atom HG11 of residue 70
P3122
Atom C of residue 69
Atom N of residue 69
Atom HE1 of residue 68
Atom HA of residue 68
Atom NE2 of residue 68
Atom CD2 of residue 68
Atom CB of residue 68
P3103
Atom O of residue 68
P3100
HIS
Atom HD23 of residue 67
P1959
Atom HD21 of residue 67
P3098
P7496
P7487
Atom HB3 of residue 67
P3089
P6525
LEU
P1953
Atom HB2 of residue 67
P8003
P6965
P2812
P2821
P6974
Atom H of residue 67
P6973
P2820
Atom HA of residue 68
P7999
Atom O of residue 67
P3080
P1954
P7478
P7469
P3071
P13153
Atom HA of residue 66
P6513
Atom H of residue 66
P2806
P6959
Atom HD23 of residue 67
P2794
P6947
P1947
P7985
Atom OG1 of residue 66
P13139
P7973
Atom H of residue 65
Atom CA of residue 65
Atom N of residue 65
P3047
P7444
Atom HG3 of residue 64
P4443
Atom HB2 of residue 64
P2768
P6484
Atom OE2 of residue 64
P6482
Atom CG of residue 64
P3036
Atom N of residue 64
P2754
Atom HZ2 of residue 63
Atom HE22 of residue 49
Atom HD2 of residue 63
P3022
PairScore 0
Atom HB3 of residue 63
P6440
P2743
Atom HA of residue 63
P6459
Atom NZ of residue 63
P3011
Atom CG of residue 63
P13233
P7927
Atom C of residue 63
P7412
P13228
Atom HE22 of residue 62
Atom HE21 of residue 62
Atom HG21 of residue 17
Atom HD2 of residue 63
Atom CG of residue 62
P2988
Atom HZ1 of residue 63
Atom OE1 of residue 49
P6889
P4543
P7385
Atom CA of residue 62
P1869
P7387
P6867
Atom HG21 of residue 61
Atom HG13 of residue 61
P3413
P2972
Atom CD1 of residue 61
Atom CB of residue 61
P7513
P2958
Atom HD21 of residue 60
P8232
P7363
P6375
P6831
P163
Atom HB2 of residue 60
Atom HD13 of residue 61
P6845
P8224
P8221
P6842
P2674
Atom CB of residue 60
P2944
P7863
P7866
P2947
P13174
Atom C of residue 60
Atom CD2 of residue 45
P2941
P7860
P8212
P13170
Atom HH of residue 59
P7859
P2940
P0
P2937
P7856
Atom HD2 of residue 59
P2934
P1460
P7986
P8237
P7337
P214
P6383
Atom HB3 of residue 59
P2660
Atom HA of residue 59
P2930
P7849
Atom OH of residue 59
Atom CZ of residue 59
P6373
P13297
Atom CE1 of residue 59
P3367
Atom HB3 of residue 60
Atom CG of residue 59
PairPredicate 5
Atom HD3 of residue 29
P6371
Atom HB2 of residue 60
P13416
P2919
Atom HB3 of residue 58
Atom HB2 of residue 58
P0
Atom H of residue 58
P3353
Atom HH of residue 59
Atom CG of residue 58
Restraint 103
Atom HE2 of residue 59
Atom CG2 of residue 44
P6798
ListSingletonContainer310
P8177
P2
P8174
P6795
Atom CA of residue 58
Atom HA of residue 57
P7811
Atom N of residue 12
Atom CA of residue 57
Atom HD22 of residue 56
P7797
Atom H of residue 56
P7287
P6770
P8149
P1326
P8146
P6767
Atom CD2 of residue 56
P3772
Atom CD1 of residue 56
Atom CB of residue 56
P2875
Atom N of residue 58
P2598
P7793
Atom O of residue 56
P7270
Atom CA of residue 56
P2872
Atom O of residue 6
P2595
P7781
Atom HA3 of residue 35
P7790
LEU
Atom HG23 of residue 55
P4268
Atom HG22 of residue 55
P6108
P6314
P6115
P2085
ListSingletonContainer14
P6106
P6312
P7263
Atom HB of residue 55
P8134
P3758
Atom HA of residue 55
P2861
P0
Atom HD23 of residue 56
P2584
P7779
Atom OG1 of residue 55
Atom O of residue 55
THR
P7304
P3
P4689
P6300
P7772
Atom HH22 of residue 54
P7766
P6737
Atom HE of residue 54
P2848
Atom HD2 of residue 54
Atom HG13 of residue 44
P3731
P2569
Atom HG2 of residue 54
P7293
P4678
P6083
P6289
Atom HB2 of residue 54
P2841
P3270
P6728
Atom H of residue 54
P7245
Atom H of residue 40
Atom CZ of residue 54
Atom CG of residue 54
P7279
P4664
P1962
ARG
P6716
P8095
P8092
P6713
Atom HA2 of residue 53
Atom HH12 of residue 54
Atom CA of residue 53
GLY
P3258
P2817
Atom HB3 of residue 52
P7225
Atom HB2 of residue 52
P3256
P7265
P4650
P6055
P6261
Atom H of residue 52
P6702
P8081
P3705
P8078
P6699
Atom CG of residue 52
P7723
ASP
P6248
P3244
P2803
Atom HG3 of residue 51
Atom O of residue 4
P7211
Atom HE21 of residue 41
Atom HG2 of residue 51
Atom HG2 of residue 41
Atom HB2 of residue 51
P6686
P8065
Atom HA of residue 38
P3689
P8062
P6683
Atom CD of residue 51
P119
P6237
P3233
P6213
P111
P2792
Atom CB of residue 51
Atom HB3 of residue 37
Atom C of residue 51
P6236
P7708
Atom CA of residue 51
Atom HB2 of residue 18
Atom N of residue 51
P6230
P3226
P6674
P8053
P3677
P8050
P6671
Atom HD13 of residue 50
Atom N of residue 42
Atom HD11 of residue 50
P3219
P2778
Atom HB3 of residue 50
P7184
P7694
Atom H of residue 50
P7176
Atom CA of residue 50
Atom CB of residue 41
Atom N of residue 50
P7682
Atom HE21 of residue 49
Atom HB2 of residue 49
Atom H of residue 49
P6200
P3196
P2755
Atom NE2 of residue 49
Atom HB2 of residue 40
Atom OE1 of residue 49
Atom CD of residue 49
Atom HD13 of residue 50
P7671
Atom CG of residue 49
Atom HZ3 of residue 48
P8014
P3638
P7142
Atom HZ2 of residue 48
Atom N of residue 6
P7659
Atom HE3 of residue 48
Atom HB2 of residue 48
P8003
P3627
P2
Atom HA of residue 48
Atom CD of residue 40
P3171
P2730
Atom NZ of residue 48
P6174
Atom HE2 of residue 63
Atom CE of residue 48
Atom CD of residue 48
P5966
P3168
P6172
P2726
Atom O of residue 48
P6681
P5963
P3165
P6169
P2723
LYS
Atom HA3 of residue 47
Atom HA of residue 16
Atom O of residue 47
P2716
P6160
Atom C of residue 47
P3154
P13438
P2713
GLY
ListSingletonContainer280
P6157
P3
P4113
Atom N of residue 47
P5949
P3151
P6155
Atom CA of residue 46
Atom HZ of residue 45
P2699
P6143
Atom CD of residue 49
Atom HE2 of residue 45
P5937
P3139
P6143
Atom HB3 of residue 45
P7963
P3587
Atom CA of residue 49
Atom HB2 of residue 45
Atom O of residue 26
Atom CE1 of residue 45
Atom C of residue 26
Atom CD2 of residue 45
GLY
Atom CB of residue 45
P3582
Atom N of residue 47
Atom HA of residue 15
P7952
P3576
Atom O of residue 45
Atom HD12 of residue 15
P3120
P7949
P3573
PHE
Atom HG1 of residue 14
Atom HD12 of residue 44
Atom N of residue 26
Atom HD11 of residue 44
P4506
P3114
P6118
Atom HZ of residue 45
ListSingletonContainer350
P8547
Atom HG12 of residue 44
P2665
Atom H of residue 44
P8411
P4495
P3103
P6107
Atom HD23 of residue 43
P3073
P8531
P8551
P6097
Atom HA of residue 9
Atom HD21 of residue 43
P6
Atom HD13 of residue 43
Atom CD1 of residue 44
P3534
P178
P13332
P12871
Atom HD12 of residue 43
Atom HB2 of residue 8
Atom HD11 of residue 43
P4031
Atom CD2 of residue 43
Atom HG21 of residue 44
Atom CG of residue 43
P3050
P12829
Atom N of residue 42
P7527
Atom CA of residue 43
Atom N of residue 43
P7550
Atom HH21 of residue 42
Atom HH12 of residue 42
P4463
P3071
P6075
P2629
P12849
P7547
Atom HE of residue 42
P3065
P12844
P7542
P2624
Atom HG3 of residue 42
P6068
Atom HD22 of residue 43
Atom HG2 of residue 42
P7167
Atom HB3 of residue 42
Atom N of residue 24
Atom H of residue 42
P7155
P2003
P6133
P7164
P8423
Atom NH2 of residue 42
P5721
P7194
Atom NE of residue 42
Atom CB of residue 42
P6052
Atom CA of residue 42
P3494
Atom HZ1 of residue 27
P3503
Atom NE of residue 42
Atom HE22 of residue 41
P6489
P7868
Atom H of residue 23
P7853
P6474
ListSingletonContainer344
P7865
P6486
P3986
Atom NE2 of residue 41
P6494
P3036
P3030
Atom HD2 of residue 42
P3015
Atom CE of residue 27
P12815
P7513
Atom CD of residue 41
Atom CG of residue 27
Atom CB of residue 41
P6033
Covariance1DFunction 46
Atom N of residue 41
P6477
P7856
P3024
P12803
Atom CG2 of residue 36
P7501
Atom HG2 of residue 40
Atom HB3 of residue 40
P6024
Atom H of residue 40
P6536
P7496
Atom OE1 of residue 40
Atom HE21 of residue 41
P6466
P7845
P6454
P8458
Atom HG23 of residue 22
P7842
P6463
P2573
P3963
Atom CG of residue 40
P156
Atom HB3 of residue 41
P7489
Atom C of residue 40
P7486
Atom N of residue 40
P6012
P6444
P5988
P10
Atom HB3 of residue 39
P6522
P2550
P6010
P7482
Atom OD2 of residue 39
Atom OD1 of residue 39
P7475
Atom C of residue 39
ListSingletonContainer209
P4103
Atom CA of residue 39
P7472
Atom N of residue 39
Atom HG3 of residue 38
Atom HB3 of residue 38
Atom HA of residue 38
P7463
Atom CD of residue 38
P6443
P5987
P7460
P7
Atom O of residue 38
P5984
Atom CA of residue 36
P7457
PRO
Atom N of residue 38
Atom CB of residue 37
PRO
Atom CB of residue 24
P2960
P4061
P4058
P2957
P6408
P7787
P7784
P134
P6405
Atom HG22 of residue 36
P7432
Atom HG13 of residue 36
P3421
P5958
Atom HG12 of residue 36
P3419
P5956
Atom HA of residue 36
P3472
P6468
P5956
P7428
Atom CD1 of residue 36
P2949
P4050
P4047
Atom HG12 of residue 23
P2946
P4041
P2940
Atom HD2 of residue 37
P6397
P7776
P6394
Atom CB of residue 36
Atom HG3 of residue 37
Atom HG2 of residue 37
Atom CE of residue 11
P7421
Atom C of residue 36
Atom H of residue 35
P3458
P6454
P5942
P7414
Atom C of residue 35
P5929
Atom OE2 of residue 34
P6363
P7742
SER
Atom HZ1 of residue 33
P8436
P5913
P7726
P3354
Atom HG22 of residue 7
P3360
P7385
Atom O of residue 30
Atom HG3 of residue 33
ListSingletonContainer188
P5904
P13578
Atom NZ of residue 33
Atom O of residue 33
P7363
Atom H of residue 32
P6335
Atom HZ2 of residue 33
Atom HE3 of residue 29
P6851
P12663
Atom CG of residue 32
Atom CA of residue 32
Atom N of residue 32
P7704
Atom HE21 of residue 31
Atom HB2 of residue 31
Atom H of residue 31
P2868
P3969
Atom OE1 of residue 18
P3966
P2865
P0
Atom OE1 of residue 31
Atom CD of residue 31
Atom CG of residue 31
P3312
Atom CA of residue 31
P3298
P8303
Atom HD11 of residue 30
ListSingletonContainer178
P3300
Atom HG13 of residue 30
P8309
Atom CB of residue 42
P8294
Atom HG12 of residue 30
P74
P8293
Atom CB of residue 44
Atom HA of residue 30
P6290
P3280
Atom HD11 of residue 15
P3289
Atom C of residue 30
Atom HB2 of residue 27
P3286
Atom N of residue 30
Atom HD2 of residue 29
P6791
P12603
Atom HG2 of residue 29
P8551
Atom HB2 of residue 29
Atom HG2 of residue 31
Atom H of residue 29
P6265
P6775
Atom NZ of residue 29
Atom HB of residue 30
Atom HA of residue 14
Atom HE22 of residue 31
Atom CB of residue 29
P8381
P5825
P6254
P3261
Atom N of residue 29
P12578
Atom CD1 of residue 8
P12587
Atom HB3 of residue 28
P7274
ALA
P8246
ListSingletonContainer460
Atom N of residue 28
P6763
P12575
Atom HZ3 of residue 27
P6240
P3247
Atom HZ2 of residue 27
P3739
Atom HE3 of residue 27
P6759
P12571
Atom HE2 of residue 27
P6229
P3236
P12554
P1328
P12563
Atom HA of residue 43
Atom HA of residue 27
Atom H of residue 8
P6750
Restraint 143
P1327
Atom H of residue 27
P5580
P2047
P7251
Atom C of residue 27
P5790
P2543
Atom HA of residue 28
Atom CA of residue 27
Atom CD2 of residue 43
P6738
Atom HG23 of residue 26
Atom CA of residue 22
P6215
P3222
P12549
Atom HG22 of residue 26
P4086
P8501
Atom HG21 of residue 26
P2525
P3705
Atom CA of residue 2
P6726
P6204
P3211
P12538
P4077
Atom CB of residue 26
P2516
Atom O of residue 26
P2024
P12534
P4073
GaussianProcessInterpolation25
VAL
P6271
P2757
P4149
P3778
P4146
P2754
P2023
P2505
Atom H of residue 25
P8481
P8480
Atom ND2 of residue 25
P197
P5748
P3193
P6186
P6696
Atom CA of residue 25
P7206
Atom OE2 of residue 24
P3181
Atom OE1 of residue 24
P12507
Atom CD of residue 24
P6680
Atom C of residue 24
P6677
Atom N of residue 24
P6166
Atom HD13 of residue 23
P6684
Atom HD11 of residue 23
Atom HG23 of residue 23
P34
Atom HG13 of residue 23
P5716
P7188
Atom HB of residue 23
P31
Atom CG2 of residue 23
Atom HB3 of residue 24
Atom C of residue 23
Atom OE2 of residue 24
P6134
P67
P6137
P2463
Atom HG2 of residue 19
P6146
ILE
Atom HG21 of residue 22
Atom HG1 of residue 22
P5626
P4848
P4396
Atom O of residue 22
P1997
Atom CA of residue 18
Atom HA of residue 21
Atom OD1 of residue 21
P7151
P7154
P8413
P2001
Atom CG of residue 21
P3620
P2000
Atom CB of residue 21
P3771
P7508
P172
Atom HA of residue 18
P2670
P1998
Atom C of residue 21
Atom HB3 of residue 20
Atom H of residue 20
P7133
P3603
SER
P5658
P6622
Atom HD3 of residue 19
P7122
P3592
Atom CG of residue 19
PRO
P3958
P8368
P2
Atom N of residue 19
P5632
P2409
P3084
Atom OE2 of residue 18
Atom CA of residue 19
P6598
Atom OE1 of residue 18
P7106
P3960
P3576
Atom CD of residue 18
Atom CG of residue 18
P1902
P2390
Atom CA of residue 18
P5394
P4896
P4442
Atom CB of residue 54
Atom HA of residue 17
Atom CG2 of residue 17
Atom CD1 of residue 69
P3995
P3989
Atom CB of residue 17
P2410
P3971
Atom CA of residue 14
VAL
Atom HG2 of residue 16
Atom H of residue 16
Atom OE2 of residue 16
Atom H of residue 5
P2661
P3647
Atom O of residue 16
P3623
P3595
Atom CA of residue 53
Atom N of residue 16
Atom HD23 of residue 15
Atom HD12 of residue 15
P7833
Atom HD12 of residue 71
P5796
P5799
Atom HD11 of residue 15
Atom HB2 of residue 15
P7992
P5002
P5880
Atom O of residue 15
Atom C of residue 15
Atom CA of residue 15
P7453
LEU
Atom HG22 of residue 14
P1813
Atom HG21 of residue 14
P3981
P2418
P3972
Atom C of residue 14
P3980
THR
P7822
P5800
Atom CB of residue 71
P2336
P4385
P1619
P4828
P5785
P2759
P5788
Atom N of residue 14
Atom HD11 of residue 13
Atom HG21 of residue 13
P1697
P5586
Atom HG12 of residue 13
Multivariate Normal distribution 21
P1818
Atom HA of residue 13
P2800
P7638
P7212
P3242
P3233
Atom CG2 of residue 13
Atom OD2 of residue 52
Atom N of residue 56
P3776
P7472
P7451
P1673
P3755
P1455
Atom HG22 of residue 12
P4044
Atom HD13 of residue 15
Atom HB of residue 12
Atom O of residue 12
P5342
P7675
P3789
Atom CA of residue 12
P2577
P2574
P1506
THR
P3445
P1505
P5235
P8216
P5332
Atom HZ1 of residue 11
P0
Atom CA of residue 24
Atom HD3 of residue 11
Atom HA of residue 1
Atom CG1 of residue 5
Atom HD2 of residue 11
P2697
Atom HG2 of residue 11
P2546
Atom HB2 of residue 11
P5440
Atom H of residue 11
P5655
P2190
Atom NZ of residue 11
P7486
P7495
Atom OG1 of residue 7
P4334
P4325
Atom O of residue 11
P8333
P8094
Atom C of residue 11
Atom OG1 of residue 22
LYS
Atom N of residue 69
P6492
Atom OG1 of residue 14
P349
P6493
P7696
Atom HA2 of residue 10
P7298
P7291
Atom CE2 of residue 45
P1514
P4855
Atom HG23 of residue 9
P2427
P8284
P7285
Atom HA of residue 51
P3840
Atom CA of residue 51
Atom HA of residue 9
Atom OG1 of residue 9
P4754
P4289
P5388
P4751
P5385
P4286
P7721
P5373
P4274
P4739
Atom CB of residue 9
Atom N of residue 9
Atom HD23 of residue 8
Atom CB of residue 18
P1371
Linear1DFunction 22
P3824
Atom HD12 of residue 8
P3810
P7698
P7258
P5363
P7696
P3810
Atom CB of residue 8
P10522
Atom HD13 of residue 43
P2547
GaussianProcessInterpolation41
Atom CA of residue 8
LEU
P5206
P1307
P3529
Atom N of residue 8
Atom HA of residue 43
P4
Atom HG23 of residue 7
Atom HG1 of residue 7
P10511
Atom CG of residue 43
P5351
P3798
P2259
P7684
Atom HB of residue 7
P1
P5196
P3519
Atom H of residue 7
P1471
P7235
P8199
P2258
P1464
P2
Covariance1DFunction 57
Atom CG2 of residue 7
P3785
THR
P5338
P7671
Atom HE3 of residue 48
Atom HZ3 of residue 6
P7225
P8189
Atom HZ2 of residue 6
P4790
Atom HZ1 of residue 6
P4
P3774
Atom CA of residue 48
P7660
Atom HG2 of residue 6
Atom HB3 of residue 6
P4778
Atom H of residue 6
P3765
Atom CE of residue 6
P7206
Atom C of residue 48
Atom N of residue 6
Atom HA of residue 46
P8081
Atom HG23 of residue 5
P2435
Atom C of residue 56
P3779
P7475
P7454
P3758
Atom HG21 of residue 5
Atom HG13 of residue 5
P3
P5103
P1370
Atom HB of residue 5
P3975
P3966
Atom CB of residue 5
P1
Atom CA of residue 5
VAL
P2608
Atom HZ of residue 4
Restraint 40
P4140
P113
P5031
P7576
Atom HE1 of residue 4
Atom HD1 of residue 4
P8490
Atom CB of residue 2
Atom H of residue 4
P4123
Atom CE1 of residue 4
P3598
P2320
Atom O of residue 4
P4855
P6655
Atom N of residue 4
Atom HD13 of residue 3
P7397
P3701
P4872
P2125
Atom HG21 of residue 3
P7522
P7314
P1545
Atom CD1 of residue 3
P3819
P7515
P7494
P3798
Atom C of residue 3
Atom C of residue 16
ILE
P7031
Atom HE22 of residue 2
Atom HB2 of residue 2
Atom HA of residue 2
P7072
Atom H of residue 2
Atom O of residue 2
Atom C of residue 2
P6460
Atom HE3 of residue 1
P2511
P3418
P3415
P2508
P3406
Atom HB3 of residue 1
P1545
Atom H of residue 63
P4057
Atom HG22 of residue 5
P4036
Atom NE2 of residue 62
Atom H of residue 1
P8523
P4847
P8506
Atom CE of residue 1
Atom O of residue 1
Atom O of residue 57
P3937
Chain A
P5303
1G6J_MODEL1.pdb
P2345
P5952
Atom N of residue 1
Atom HG2 of residue 16
P3358
P8563
P7560
phys
P5789
P5792
PairsRestraint 5
P8440
P213
MovedSingletonContainer3
Atom CD1 of residue 71
GridCPF
P3589
P5873
P5882
ListSingletonContainer581
P6456
bonded
P6522
SingletonScore 7
P3569
DihedralSingletonScore3
UnaryFunction11
P5599
SingletonScore 6
P2120
P6788
P3415
P8562
Atom CB of residue 16
P3408
P144
P8559
P8558
P2900
P8556
P2422
P8554
P1793
P3403
P8550
P6996
P3419
P5895
P3401
P8549
P6346
P8547
P8546
P2413
P5380
ListSingletonContainer534
P8545
P5378
P6762
P3750
Atom OE1 of residue 51
P8535
Atom HA of residue 21
P8534
P1777
P6327
P8529
P5873
P8528
P5359
P8527
P3386
Atom C of residue 53
P8524
P8523
P3521
P2391
P8520
P8518
P3357
P6934
P3336
P5319
P8513
P8512
P3330
P8510
P5313
Atom HA of residue 50
P3690
Atom CD2 of residue 50
P6
P2341
P5311
P8509
Atom N of residue 19
P6700
P6274
P8507
P6698
P6272
P8506
P5299
P8499
P5106
P2807
P6684
P8497
P5294
P8494
P2332
P6681
P8489
P6679
P8488
P6674
P8483
P3300
P5283
P3660
P2789
P8480
P3292
P5275
P8475
P8472
P8471
P2316
P3211
P5266
P8467
P2773
Multivariate Normal distribution 34
P8463
P5261
P8462
P3637
P3277
P8460
P6220
P8456
P6221
P1678
P6218
P8455
P1677
P8454
P1676
P6251
P8453
Atom HB3 of residue 46
P1673
P3255
Atom N of residue 51
P8440
P6198
P8436
P6231
P8434
P3493
P1541
P3133
P2163
P8430
P5625
P8428
P6726
Atom O of residue 11
P8426
P6105
P8421
P8420
Atom CG2 of residue 14
P3479
P4897
P3476
P8418
P5102
P8417
P5612
P8416
P8414
P3112
P2144
P8411
P4885
GaussianProcessInterpolationRestraint 32
P8408
P5091
P8407
P6101
P2150
P2596
P6089
P8405
P2594
P6087
P2134
P8404
P6477
P4879
Atom CD1 of residue 4
P8400
P5085
Atom HB2 of residue 38
P8401
P6738
P3726
P8396
P6304
P8389
P8388
P5324
Atom HZ2 of residue 11
P3710
P3708
Atom CA of residue 19
P8375
P6711
P6285
P8370
P3704
P7074
P8367
P12369
P8361
P8359
P8358
Model 263
P8356
P6542
P1919
P6551
P8355
P8287
P1918
P3926
P1814
P3924
P6545
P8349
Atom C of residue 63
P6509
P8340
P1913
P8348
P6933
P8347
P8338
P194
P3567
P6043
P6922
P5323
P185
Atom HD13 of residue 61
P3549
P5530
P8336
P5528
P6914
P8333
P3901
P8332
P7132
P3035
P8331
P6488
P8328
P6616
P6190
P8324
P6614
P6191
P1650
P6188
P8323
P1649
Atom CA of residue 34
P8322
P3239
GLU
P8321
P5730
P8318
P6182
P8317
P2726
P6177
P5213
P6203
P8304
P8299
ModelScoringFunction5
P6671
P2251
P6163
P8297
MD 1
P2250
P5198
P6197
P8296
P5705
PHE
P3570
P3567
P8292
P6807
P0
P8290
P6805
P6575
P8288
P8280
P5180
P6179
P8278
P5178
P6177
P8277
P5684
P3549
P3546
P8272
P2680
LEU
P8271
P6170
P8270
P6568
P2223
P6556
P8269
P2676
P8267
P8257
P2662
Atom CA of residue 2
P8254
P2660
Atom CA of residue 11
P8253
P8252
P8266
P5147
P8249
P5656
P3521
Atom CD of residue 41
P4939
P3518
P8247
Atom HE22 of residue 41
P8245
P4946
P1573
P8244
P5665
P5210
P2198
P6755
Chain A
P6526
P8243
P8241
P6754
P6516
Atom HG3 of residue 16
P6136
P8240
P3510
P4928
P3507
ScoreState 33
P8237
P2641
P8236
P7787
P8231
P7786
P1812
P4356
P8230
P4355
Covariance1DFunction 69
P5260
P5895
P7784
Atom HB3 of residue 49
P4354
P5344
ASN
P1834
P8228
P7782
P0
P4352
P8226
P7780
P4350
P7779
P8224
Atom CG2 of residue 22
Atom HE22 of residue 49
P4348
P5241
P7777
P8222
P4346
P5239
P8220
P8219
P8218
P2275
P4343
P2
P5236
P8217
P1831
P4342
P4341
P5727
P4338
P5231
P8212
P3
P4337
P8223
P8455
P5242
P7778
P1
Atom N of residue 15
P5230
P8211
P4336
P5229
P8210
P5228
P8209
P5227
P8208
P4333
P5226
P8207
P4331
Atom O of residue 76
P8437
P5224
P8205
P5223
P8204
P2262
P4329
P1787
P5222
P8436
P8203
P8199
P5720
P5723
Atom HZ3 of residue 6
P8198
P4759
P4753
P2254
Atom HG11 of residue 5
P8194
P8427
P4749
P8184
P4748
P4730
P8409
P8417
P8183
P4746
P4728
P8408
P8181
P2
P4745
P8180
P4744
Atom HD2 of residue 48
P8167
P2
P8179
P4743
P8178
P4742
P8177
P4741
Atom HB3 of residue 48
P8176
P4737
P1758
P8172
P4736
P8171
P4734
P8169
Restraint 86
P4733
P8168
P4732
P8155
Restraint 85
P4731
P8400
P8166
P1957
P4724
P2228
Atom C of residue 48
P8165
P4729
P8399
P8164
P4710
P8391
P8163
P4727
P4721
P2225
Atom HD22 of residue 73
Atom N of residue 48
P8162
P6107
P1515
P7720
P4726
P8161
P4722
P1744
P8157
P0
Atom HG21 of residue 14
P8156
P4720
P4719
P8154
P4718
P8153
P4717
P8152
P4716
P1730
Atom CD1 of residue 73
P8151
P4715
P8150
GaussianProcessInterpolation4
P4714
P8149
Covariance1DFunction 20
P4713
P8148
P4711
Atom HZ3 of residue 11
P8146
P4709
P8144
P4708
P4707
P8142
P8139
P3972
P8361
P8131
P8128
prior
P1715
Atom HD12 of residue 69
P8126
Atom NE of residue 72
P8125
Atom CB of residue 45
P8124
P8123
P3975
P2189
P8122
P2184
P8121
P1
P8120
P2181
P8118
Atom HD12 of residue 44
P8117
P8115
Atom HD21 of residue 71
P8113
P1701
P8111
P8109
P1687
Multivariate Normal distribution 18
P8346
P8108
P8106
P3946
P1965
P8336
P8105
P8104
P8103
P8102
Atom HE21 of residue 2
P8101
P2165
P8100
P8097
P4217
P2182
P4215
P10907
P139
P7651
P8092
P4214
P7650
P8091
P4213
P7649
P3943
P2160
P8090
P2179
P4212
P7648
P8089
P4208
P1444
P7644
P8085
P4206
P8083
P7641
P3932
Atom H of residue 15
P8082
P4204
P7640
P1666
Atom CG of residue 15
P5592
P1673
P8081
P7639
P8080
P4201
P10893
P133
P7637
P8078
P4200
P4176
P0
P7636
P8316
P8077
Atom HB of residue 61
P4199
P7632
P2155
P2158
P7635
P8076
P4197
P7633
P5576
P1314
P3915
P8306
P8074
P4195
P7631
P3913
P8305
Atom CB of residue 4
P8072
P2163
P4194
P7630
P8071
P4193
P1430
P7629
P8070
P1437
P4190
P7626
P8067
P4188
P7624
P2133
P8065
P8433
P4187
P7623
P8064
P4185
P7621
P8062
P4184
P7620
P8061
P4183
P7619
P3922
P5727
P8060
P8630
P4181
P1416
P7614
P2139
P7617
P2127
P8058
P4178
P8055
P7612
P5710
P8053
P7608
P2130
P7611
P8052
P4171
P7607
P8048
P4170
P10877
P2515
P7606
P8047
P4169
P7605
P8046
P8415
P4168
Atom N of residue 23
P7601
P2123
P7604
P8045
P4167
P10874
P2512
P7603
P8044
P4166
P7602
P8043
P4165
P7579
P3883
P8274
P8042
P4163
P8040
P7584
P3888
ILE
Atom C of residue 68
P8038
P7586
P3890
P8281
P1799
P8037
P1631
P8036
P4158
Atom CB of residue 23
P7594
Atom HA of residue 14
Atom N of residue 68
P8035
P4153
TRP
P7589
P8030
P4152
P5043
P7588
P7566
P3870
P8263
P8029
P4150
P5041
P7586
P8267
P8027
P8397
P4149
P5040
P7585
P8026
P5048
P1787
Atom HA of residue 67
P5042
P8024
P1738
P4991
P7972
P5094
P1570
P4990
P7971
P4947
P2480
P7928
Atom HG of residue 15
P4939
P2473
P7927
P2471
P7925
P7924
P7923
P7922
P7920
P1960
P7919
P7918
UnaryFunction28
P7917
P7916
CHARMMStereochemistryRestraint9
P1685
P7915
P7913
Atom N of residue 17
P5434
Atom HG1 of residue 55
MET
P7908
P7907
P7905
P5418
P7902
P4915
P7460
P7901
P58
P4913
P7455
P1677
P7458
P4912
P7457
P7898
Atom CG of residue 51
P4911
P4905
P2379
P7456
Atom CB of residue 2
P5432
Atom CD of residue 51
P7176
P4909
P7454
P7895
P4908
P7453
P7894
P3987
P7873
P7421
P3725
P1645
P3719
P7415
P4890
P7872
P7837
P7836
Atom O of residue 5
P7833
P7832
P7831
Atom CG of residue 37
P7830
P7829
Atom CA of residue 33
Atom HD23 of residue 56
P2383
P4845
P7828
P4844
P7827
P4390
GaussianProcessInterpolation44
P7380
P1607
P7383
P2386
P7824
P5490
P4934
Covariance1DFunction 60
P7823
P5489
P5480
P1598
P4945
Atom HD12 of residue 36
P2384
P7822
P5488
P7821
P5487
P7820
P5486
P5472
P2358
P4820
P7793
P1
P7805
P5471
P7083
Atom CZ of residue 45
P7092
Atom HB2 of residue 49
P5469
P7802
P5468
P4924
Atom HA3 of residue 35
P7801
P2494
P7081
P7090
Atom H of residue 49
P5467
P7800
P5466
P0
P7799
P5462
P7795
P7794
P4907
Atom CA of residue 55
P4811
P7792
P4810
P7791
P4809
P2355
P7790
P7787
P7786
P7785
P7783
P2476
P7339
P7780
P7779
P7775
P7774
P7773
P7771
P10601
Atom NZ of residue 48
P7770
P1551
P7768
P7767
P7772
P4795
P5429
P4330
PairRestraint 0
P4318
P1539
P4783
P7765
P7764
P1538
P7759
P7756
P3600
Atom CD2 of residue 4
P7755
P10584
GLY
P1537
GLY
P2318
P7753
P2313
P0
P7752
P10582
Atom HB3 of residue 46
Atom HG11 of residue 17
P7751
P4781
P4316
P2329
P5415
P5412
P4778
P4313
Atom HG23 of residue 5
Atom CG of residue 52
P4301
P5400
P4766
P7748
P2316
P7747
P7746
Atom HG12 of residue 17
P7301
P3859
P7745
P1524
P3857
Atom HG3 of residue 51
P7740
P3578
P3587
P7739
P3577
P3586
P7738
P3584
P7736
P4315
P2435
LEU
P4739
P8186
Atom HA of residue 45
P3574
P3583
P7735
P2296
P3573
P3582
P7734
P3572
Atom OE1 of residue 51
P3581
P7733
P3571
P3580
P7732
Atom HG21 of residue 9
P7730
P4295
P4760
P5394
Atom HG13 of residue 3
P4757
P5391
P4292
P4280
P5379
P4745
P7727
P4294
P4759
P5393
P4756
P5390
P4291
P5378
P4279
P4744
P1504
P7726
P5376
P4277
P4742
P7724
P1511
P4753
P5387
P4288
P5375
P4276
P4741
P7723
Atom HD13 of residue 44
P4750
P5384
P4285
P4273
P5372
P1497
P4738
Atom HD13 of residue 50
P7720
P4752
P4287
P2303
P5386
P2300
P5383
P4749
P4284
P4272
P5371
P4737
P4266
P4731
P2284
P7719
P5382
P4748
P4283
P2279
P0
P5370
P4271
P4736
P7718
P5381
P4747
P4282
P5369
P4270
P4735
P7717
P4281
P4746
P5380
P5377
P4743
P4278
P7713
P3548
P2275
P3557
P7712
P3820
P7706
Atom HB3 of residue 8
P3819
P3811
P5343
P2264
P7697
P3802
P7688
P5354
P3801
P7687
P5353
P3800
P7686
P2376
P1477
Atom CD1 of residue 43
P5352
P3799
Atom CA of residue 49
P7685
P5350
P5341
P1468
P3797
P7683
P0
P5349
P3796
P7682
P5348
P3795
P2256
P7681
P5344
P1376
P3791
P7677
P5622
P7235
P3790
P7676
P3788
P7674
P5340
P3787
P7673
P5337
P3784
P7670
P2172
P3783
P7669
P5614
P7227
P1454
P3782
P7668
P3781
P7667
P5333
Atom HD3 of residue 48
P3780
P7666
P3
P1294
P3767
Atom CA of residue 76
P2232
P1303
P3776
P7662
P5607
P7220
P3775
Atom HG3 of residue 6
P7661
P3773
P7659
P7214
P1308
P8178
P5173
Atom HA3 of residue 47
P3496
P3505
P7657
Atom HA2 of residue 47
P7656
P7655
P7654
P7651
P7646
P5161
P7182
P2217
P3484
Atom CA of residue 10
P7645
P1310
P7644
Atom O of residue 46
P7642
P2220
P7641
P2212
P7640
P1434
Atom O of residue 37
Atom CD of residue 41
P7639
P7638
P7636
Atom HE1 of residue 45
P7635
P2215
Atom HA of residue 5
P7631
P7618
Restraint 59
P7630
P7629
Atom H of residue 45
P7628
Atom HG2 of residue 40
P7627
P7625
P7611
P0
P7623
P1411
P2196
P7622
P7621
Atom HE1 of residue 4
P7620
P10449
P2123
Atom HD12 of residue 73
P7617
P5561
P7174
P7615
Atom HD13 of residue 44
P7614
Atom HB of residue 36
GLN
P7613
P7610
Atom CB of residue 73
Atom O of residue 67
P2183
P7608
P1397
P7607
P7605
P1390
P7604
Atom O of residue 39
P7602
P7598
P4608
P8154
Atom CZ of residue 128
P4160
P7153
P7594
P4607
P4598
Atom HB3 of residue 38
P8153
P4159
P7152
Atom HG2 of residue 72
P7593
P7163
P2305
P4606
P8152
P4158
P7151
P7136
P7592
P7146
P1388
P7149
P7590
P4603
P8149
Atom O of residue 128
P4155
P7148
P7589
P4602
P8148
P4154
P7147
P7588
P4599
P10409
P4587
P5107
P8145
P4151
Atom HG21 of residue 9
P7144
P7585
P10408
P4586
Atom HD3 of residue 33
Atom HD3 of residue 37
P5106
P8144
P4150
P7143
Atom NE2 of residue 62
P2168
P7584
P4596
P7141
P1220
Atom CG of residue 72
P7582
P10417
P4595
P10411
P4589
P1651
P8141
P1381
P4147
Atom HA of residue 9
P7140
P7581
P10416
P4594
P8140
P4146
P7139
P7580
P10415
P4593
P8139
P2281
P4145
Atom C of residue 127
P7138
Atom CD1 of residue 43
P7579
P7577
P5243
P7576
P1364
P7574
P7573
P1318
P7572
Atom CB of residue 68
P7569
P1920
P7567
P8086
P2152
P7566
P7564
P7563
P1350
Atom HD22 of residue 67
P7562
P7561
P7560
Atom CE of residue 33
P3670
Atom HG21 of residue 36
P7559
P7558
Atom C of residue 71
P7557
Atom N of residue 71
P7554
P3391
P3400
P7552
P7549
P3659
Atom O of residue 36
P1338
Atom CA of residue 71
P7547
P3656
P7545
P7543
P7370
Atom H of residue 26
P7364
P7363
P7361
Atom HD21 of residue 73
P7359
P7358
P7357
P7356
P7355
Atom HA of residue 22
P1436
P6910
P3904
P7354
Atom CA of residue 73
Atom C of residue 73
Atom HD21 of residue 60
P7353
P7349
P7347
P7346
Atom HD2 of residue 72
P7344
P7343
Atom N of residue 14
P7342
Atom HB2 of residue 72
Atom HH of residue 59
P7338
P7337
P7336
P7335
Atom CZ of residue 72
P7334
P7333
P7332
P7331
P7328
Atom O of residue 72
Atom CZ of residue 59
P7327
Atom CA of residue 22
P7326
P7325
Atom HB2 of residue 20
Atom CA of residue 24
P7324
Atom C of residue 28
Atom CG2 of residue 5
P7323
P7321
P7320
P1600
Atom CE1 of residue 59
Atom HA of residue 15
Atom OE1 of residue 31
Atom HG3 of residue 48
P7317
P7316
P7315
Atom HB2 of residue 58
Atom CD of residue 16
P7312
P2126
P7309
P7304
P7303
P7301
P7298
Atom HB of residue 70
P7295
P7294
Atom HB2 of residue 15
P7293
P2105
P7290
Atom HD11 of residue 71
Atom O of residue 75
P7285
P7284
P7270
P0
GLY
P7282
P4395
Atom H of residue 71
P7281
P7280
Atom HG22 of residue 17
P1367
Atom OD2 of residue 21
P7279
P7278
P7277
P7276
P3126
P2090
P7274
Atom CB of residue 56
P7273
P7272
P2083
P7271
P7269
P7267
P4389
P2082
P7266
Atom H of residue 20
P4379
Atom HG11 of residue 70
P7265
Atom CG2 of residue 55
P7264
P7263
P3810
P3804
P2074
P1552
P3801
Atom CA of residue 55
P7257
P2069
P7256
P3808
Atom C of residue 69
P7255
P3807
P3806
P7253
P3805
P7252
P3803
P7250
P2054
Atom CD of residue 19
Atom H of residue 3
P3802
P7249
P7248
Atom HG of residue 69
P3359
Atom OE2 of residue 18
P7234
Atom HB2 of residue 67
P7233
P7231
Atom HG23 of residue 9
P5175
P1647
P6788
P7229
Atom HB3 of residue 68
P7227
P7226
Atom CA of residue 22
P7225
P7224
P7223
P7222
Atom HG22 of residue 66
P7219
P7218
P7217
P7215
HIS
P7212
P7211
P7210
P7209
P1495
Atom C of residue 66
P7208
P5153
P6766
P7207
Atom HB3 of residue 16
P7206
P6760
Atom HB2 of residue 8
P6763
P7204
Atom HA of residue 50
P6762
Atom H of residue 66
P7203
P2027
P7201
P6759
P7200
P6756
P7197
P6755
P7196
P6754
P7195
P6750
Atom C of residue 8
P6753
P7194
P6752
P7193
P0
P6751
P7192
P7191
P6747
P7188
P6758
P1619
P6746
P7187
P6745
P2013
P7186
P4697
P4832
Atom HG2 of residue 64
P4199
P7181
P4696
P4831
Atom HH12 of residue 74
P4198
P7180
P4695
P4188
Atom O of residue 64
P4830
P4197
P7179
P4694
Atom HG21 of residue 66
P2046
P4829
P4196
P7178
P4693
P4828
P4195
P7177
P4691
P4826
P4193
P7175
P4686
P7170
P7167
P7166
P1
Atom HB of residue 17
P358
P6723
P4680
P4185
GLU
Atom NH1 of residue 74
P4665
P0
P4182
P7164
P6722
P4679
P4181
P7163
P6720
Atom HD2 of residue 74
P4194
P4827
P4677
P4179
Atom HZ1 of residue 63
P7161
P2093
P6716
Atom H of residue 76
P4673
P4175
P7157
Atom CE of residue 48
P6715
P4672
Atom HG2 of residue 63
P4174
P7156
P6714
Atom HA3 of residue 76
P4671
Atom HD23 of residue 73
P4173
P7155
P6708
Atom CD of residue 6
P6711
P4668
P4170
P7152
P8162
P7133
Atom N of residue 61
P7093
P3205
Atom HB2 of residue 6
P3203
P3202
Atom HA of residue 6
Atom N of residue 60
P2052
P3200
P3199
P18
P4740
P7086
Model 302
P3198
P3196
Atom CB of residue 6
P3194
P3193
Atom HB2 of residue 59
P1377
P3192
P3182
Atom CB of residue 59
P4723
P7069
P3181
P3177
Atom HB3 of residue 58
P3176
P2034
Atom HE of residue 72
P1314
P1359
P3175
Atom HD12 of residue 71
Atom HA of residue 58
P3174
P2031
P3173
P4714
P7060
P0
P0
Atom HB3 of residue 71
P3172
P3168
P8087
P3171
P3169
P8085
Atom C of residue 72
Atom CB of residue 58
P8084
P3167
P8083
P4708
P7054
P3166
P8082
P3164
Atom HB2 of residue 68
Atom HG of residue 57
P3162
P8078
P3161
P2020
P2027
P8077
Atom O of residue 69
P4702
P7048
P3157
P4554
P8073
P3156
P8072
P3595
P7042
P6596
Atom CA of residue 72
P3152
P8068
P4693
P7039
P8063
P3146
P2006
P2013
P8062
P3145
P8061
P3144
P8060
P2003
P3143
P8059
P4542
P3142
P1
P8058
P4541
P3141
Atom HD23 of residue 69
P8057
P4539
P3139
P8055
Atom H of residue 71
P4538
P3138
P8054
P4536
P3136
P3137
P4537
P3134
P8050
P4675
P7021
Atom HG of residue 69
P3133
P8049
P3135
P4535
P3132
P4529
P8048
P3131
P1999
P8047
P3129
P8045
P1989
P3128
P8044
P3127
P8043
Atom HG22 of residue 55
Atom CD2 of residue 69
P3126
Atom CD1 of residue 69
P8042
P3124
P8040
P3123
P8039
P8038
P4663
P7009
P3121
P8037
P3119
P8242
P8035
P3118
P8034
P3117
P8033
P3116
P4506
P1978
P1985
P8032
P4657
P7003
P3115
P8031
Atom CA of residue 55
Atom HD1 of residue 68
P3114
Atom HB3 of residue 68
Atom O of residue 70
P8030
P3111
VAL
P8027
P6552
Atom CE1 of residue 68
P8025
Atom ND1 of residue 68
GLY
P6954
P2801
P7992
P2810
P6963
P7991
P6953
P2800
P2809
P6962
P6951
P2798
P7989
P2807
P6960
Atom HB of residue 66
P6950
P2797
P7988
P6949
P2796
P7987
P2805
P6958
P13143
P1935
P6948
P2795
P1942
P7986
Atom O of residue 53
P2804
P6957
P7984
P6946
P2793
P2802
P6955
P7974
P0
P6945
P2792
P7983
P6944
P2791
Model 296
P7461
P7982
P7979
P6941
P2788
P6939
P2786
P7977
Atom HG of residue 65
P7976
P6938
P2785
P6936
P2783
P2782
Atom O of residue 52
P2790
P6943
P2780
Model 310
P1921
P2789
P6942
P2779
Atom CG of residue 67
P2778
ASP
P2787
P6940
P2775
P2784
P6937
Atom HD23 of residue 50
P7960
P6931
P7958
P6929
P7956
P6927
P1906
P1913
P7955
P193
P6926
P7954
P6925
P7953
Atom OG of residue 65
Atom CB of residue 17
PairsRestraint 0
P7952
P6923
P13256
P7951
P6922
P2
Atom C of residue 64
P7950
P6921
P7948
P6919
P3914
Atom CG of residue 50
P190
P3923
P6475
P3029
P1898
P3020
P3015
P2755
P6452
Atom OE1 of residue 64
P2734
Atom O of residue 22
P4558
P13232
P4407
P1873
P6891
P3
P6448
P7409
Atom O of residue 42
P7435
P0
P6446
P7407
P6887
P6445
P7406
P6886
P6444
P6885
P6443
P6884
P6883
P6441
P2741
P6438
P2720
P1865
Atom OE1 of residue 62
P1883
P7402
P6882
P6439
P7400
P6880
P7399
P1862
P6879
Atom HB3 of residue 71
P7398
P6878
P1900
P7440
P4823
P6436
P7397
Atom H of residue 15
P6877
P8232
Atom HA of residue 71
P7427
P1824
P236
P6435
P7396
Atom HE3 of residue 48
P6876
P7395
P6875
P7394
P6862
P173
P6874
P7392
P6860
ListSingletonContainer320
P6872
P13219
P7391
P6871
P7389
Atom H of residue 62
Atom C of residue 48
P7388
Atom HB2 of residue 62
Atom HG13 of residue 17
P6868
P6865
P7384
Atom CE of residue 48
P6864
P7382
Atom ND1 of residue 68
P7381
P6861
P7379
P6859
P7377
Atom CA of residue 68
P6857
P7376
P6856
P7375
Atom HB2 of residue 46
Atom CD of residue 62
P6855
P13203
P7374
P6854
P8230
P6851
P8227
P6848
P2682
ListSingletonContainer316
P2685
Atom N of residue 61
P6850
Atom C of residue 47
P8229
P8226
P6847
P6849
P8228
P8225
P6846
Atom HB3 of residue 60
P8223
P6844
Atom H of residue 67
Atom HG23 of residue 61
P8222
P6843
P1809
Atom HD11 of residue 67
P8220
P6841
Atom HD1 of residue 45
P6840
P6839
P6835
P4395
P6285
P8109
P2571
P3733
P8106
P6727
P2839
Atom NH1 of residue 54
Atom CG of residue 41
P8108
P2570
P3732
P8105
P6726
P130
P8107
P129
P8104
P6725
P2567
P3729
P8102
P6723
P2566
P3728
P8101
P6722
P3725
P8098
P6719
P3730
P2568
Atom CD of residue 42
Atom OG1 of residue 55
P6721
P8100
P3724
Atom CD1 of residue 44
P8097
P6718
P6720
P8099
P3717
Atom N of residue 44
P3723
P8096
P6717
P3722
P3721
Atom HA of residue 40
P8094
P6715
P2827
Atom HA3 of residue 53
Atom C of residue 44
P3720
P8093
P6714
P3718
P8090
P6711
P2
P3715
P6709
P3714
P6708
P6710
P8089
P3713
P6707
P2550
P3711
P8084
P6705
Atom HD21 of residue 43
P6706
P8085
P3709
P8082
P6703
P3708
P3704
P8077
P6698
P6700
P8079
P3703
P8076
P6697
P3702
P8075
P6696
P3701
P8074
P6695
P3700
P8073
P6694
P3
P3699
P8072
P6693
P3698
P8071
P6692
P6690
P8069
P3693
P8066
P6687
P6689
P8068
Atom O of residue 7
P3692
P3690
P8063
P6684
P6685
P8064
Atom HD3 of residue 42
P3688
P8061
P6682
P3687
P6225
P8060
P6681
P7709
Atom HB2 of residue 52
P3686
P8059
P6680
P3684
P8057
P6678
P3683
P8056
P6677
P3681
P8054
P6675
P3680
Atom C of residue 38
P6676
P8055
P1329
P3679
ListSingletonContainer364
P8052
P6673
P3678
P8051
P6672
Atom HG2 of residue 37
P3676
P8049
P6670
P3675
P8048
P6669
P13002
P4181
Atom C of residue 42
P6665
Atom CA of residue 52
P13001
P4180
P2119
P6664
P12998
P4177
Atom O of residue 37
P6661
P12997
P4176
P6660
Atom HB3 of residue 51
P12996
P4175
P13087
Atom CB of residue 50
P6659
P12995
P4174
P12994
P4173
P6657
Atom CB of residue 11
P12993
P2125
P4172
P6656
P12992
P4171
Atom CA of residue 8
P6655
P12990
P4169
P6653
P12987
P4166
Atom OE1 of residue 41
P6650
P12986
P4165
P6649
Atom HB3 of residue 49
Atom C of residue 51
P12985
Atom HE22 of residue 49
P4164
P6648
P13080
P12984
P4163
Atom HZ3 of residue 6
Atom HB of residue 36
P6647
P12983
Atom HE22 of residue 2
P4162
Atom N of residue 51
P12982
P4161
P6645
P4160
P6644
P4159
P6643
P12978
P4157
Atom OE2 of residue 64
P6641
P12977
P4156
P6640
P12976
P4155
P6639
Atom HG of residue 50
Atom C of residue 49
P12974
P4153
P6637
P12973
P4152
Atom CA of residue 49
P6636
Atom N of residue 49
P12971
P4150
P6634
P12970
P4149
P6633
P12968
P4147
Atom HZ1 of residue 48
P6631
P12964
P4143
P6627
P13061
P12963
P3
P4142
P6626
Atom CA of residue 50
P12962
P4141
P6625
P12961
P4140
Atom O of residue 34
P7125
Atom HD2 of residue 63
P6624
Atom CA of residue 34
P6154
P3
P6166
P6622
P6177
P12956
P4135
P12954
P4133
P6617
P12953
P4132
P6616
P12950
P4129
Atom HD3 of residue 33
Atom HG11 of residue 17
P6613
Atom C of residue 48
P12949
P4128
P6612
Atom CD of residue 49
P12948
P4127
P6611
Atom CA of residue 1
Atom N of residue 48
P12946
P4125
P6609
P12945
P4124
P6608
P6606
P6604
Atom OE2 of residue 16
P6601
P6600
Atom O of residue 33
Atom HG2 of residue 16
P6599
P6598
P6595
P7104
Atom CB of residue 46
P6592
P6591
P6590
Atom CB of residue 22
P6589
P6587
Atom O of residue 32
GLU
P6585
P6584
Atom HD1 of residue 45
P6127
P6583
P6581
Atom HA of residue 45
P6580
P6578
P6575
Atom O of residue 15
P6565
UnaryFunction1
Atom HB2 of residue 15
P6574
Atom CG of residue 45
P6572
P6570
Atom C of residue 45
P6569
P6568
P6567
P6554
P67
Atom N of residue 45
P6566
P6553
P185
P6564
P6563
Atom CA of residue 46
P6560
P8548
Atom HB2 of residue 25
Atom HG13 of residue 44
P6558
Atom OG1 of residue 14
P6551
P6550
Atom C of residue 44
P5903
Atom HG2 of residue 2
P8545
P7926
P6547
Atom N of residue 44
P7923
P6544
P7921
P6542
P7920
P6541
P6543
P7922
P7919
P6540
Atom CD1 of residue 13
P8538
P7918
P6539
P7905
Atom C of residue 13
P6526
ListSingletonContainer221
Atom HD12 of residue 44
P7917
P6538
P7916
Atom HG13 of residue 13
P6537
P7914
P6535
P6536
P7915
P7912
P6533
Atom H of residue 43
Atom C of residue 22
P7911
P6532
P6534
P7913
P7910
Atom HG12 of residue 44
P6531
P7909
P6530
P3
P6528
P7907
P7904
P6525
P8527
P6527
P7906
Atom HD13 of residue 43
Atom HA of residue 29
P7903
P6524
P7901
P6522
P6523
P7902
Atom HZ2 of residue 29
P7899
P6520
P7898
P6519
Atom HA of residue 15
P6521
P7900
P7897
P6518
Atom HD3 of residue 42
P174
P7894
P6515
Atom HZ1 of residue 11
P7893
P6514
P6516
P7895
P7892
P6513
P7891
P6512
Atom HG2 of residue 11
P7890
P6511
Atom H of residue 22
P7889
P6510
P6507
P7886
P7885
Atom N of residue 15
P169
P7884
P7881
P6502
P6057
P6055
P6053
P8489
P3038
P6496
P6505
P6049
P6493
P7870
P6491
Atom HH22 of residue 42
P8492
P7869
P6490
Atom CA of residue 24
P7867
P6488
ListSingletonContainer345
P7864
P6485
P7852
P6473
P8476
P7861
P6482
P7859
P6480
P7858
P6479
Atom CA of residue 41
P6481
P7860
P7857
P6478
P7854
ListSingletonContainer212
P6475
P6476
P7855
ARG
P7850
P6471
P8463
Atom HG12 of residue 26
P2580
Atom CB of residue 27
P7849
P6470
P6472
P7851
P7848
P6469
P7497
Atom HA of residue 22
P8461
Atom HB of residue 26
P7847
P6468
P7846
P6467
Atom CD of residue 40
P7843
P6464
P6465
P7844
P6462
P7840
P6461
P7839
P6460
P6459
P6458
P8452
P6457
P8449
Atom HD22 of residue 25
P6456
P6455
P2979
P4080
P4077
P2976
P7806
P7803
P6424
Atom HD13 of residue 23
P8256
P4076
P2975
P8431
P7805
P4075
P2974
P7804
P6410
P7789
Restraint 99
P4054
P2953
Atom HD12 of residue 23
P7801
P6422
P4074
P2973
P6412
P7791
P8418
P7800
P6421
P2972
P4073
P4070
P2969
P6420
P7799
P7796
P6417
P2970
P4071
P4068
P2967
P6418
P7797
P7794
P6415
P2964
P4065
P4062
P2961
P7788
P6409
Atom C of residue 39
P3427
P5964
P8242
P8405
Atom C of residue 42
P2963
Atom N of residue 20
P4064
P2954
P4055
Atom HG2 of residue 38
P6411
P7790
Atom CB of residue 4
P2962
P4063
P140
P4060
P2959
P6395
P7774
P129
P7786
P6407
P7
P4057
P2956
P7783
P6404
P3422
P5959
ILE
PairPredicate 4
P2958
P4059
P4056
P2955
P6406
P7785
P7782
P6403
P7780
P6401
P4052
P2951
P6402
P7781
P7778
P6399
P4051
P2950
P7777
P6398
P2952
Atom CB of residue 19
P4053
P6400
Atom HA of residue 18
P7779
P4049
P2948
P7775
P6396
P4046
P2945
Atom CZ of residue 42
Atom HA of residue 37
P6393
P2947
P4048
Atom HA of residue 23
P4045
P2944
P6392
P4044
P2943
P6379
P1
Atom N of residue 23
P6391
P4042
P2941
P6389
Atom HG21 of residue 22
P6388
P4039
P2938
Atom HB of residue 22
P6386
P4038
P2937
P8384
P6385
P2939
P4040
P4037
P2936
P6384
P4036
P2935
Atom CG2 of residue 9
P125
P6383
P4035
P2934
P6382
P2926
P4027
P8392
Atom N of residue 37
P6380
Atom HG2 of residue 34
P2933
P4034
P4031
P2930
P6378
P3383
P6377
P3444
Atom O of residue 48
P5934
P8383
P6375
P7755
P6
Atom CD1 of residue 50
Atom HD23 of residue 8
P7752
P6373
P7754
P7751
P8380
P6372
P7749
P6370
P6367
P3866
Atom C of residue 34
P7745
P6366
P6368
P7747
Atom CA of residue 34
P7744
P6365
P7743
P6364
P3863
Atom N of residue 34
Atom O of residue 20
Atom CB of residue 8
Atom H of residue 8
P6360
P6319
LYS
P5812
P6256
ListSingletonContainer467
Atom CB of residue 30
P8540
P4
P6255
P3250
P6243
P8258
Atom HG3 of residue 29
P3248
P6241
P8524
P3246
P6239
P3245
P6238
P8523
P3244
P6237
Atom CB of residue 13
Atom CD1 of residue 43
P8266
Atom HG23 of residue 13
P3243
P6236
P12568
P8520
P3241
P6234
P3235
Atom HB2 of residue 24
P6228
P3234
P6227
P2539
Atom C of residue 28
P7595
P3223
P6216
Atom HG11 of residue 26
ListSingletonContainer255
P2531
P3219
P6212
P2766
P4158
P3787
P4155
P2763
P5769
P3217
P6210
P2764
GeneralizedGuinierPorodFunction 37
P4156
P4153
P2761
P3785
P5767
P3215
P6208
P2030
P4152
P2760
P3784
Atom HB3 of residue 24
P5766
Atom CG1 of residue 23
P3214
P6207
P2762
P4154
P3783
P4151
P2759
P5765
P3213
P6206
Atom H of residue 73
P3781
P5763
Atom HB3 of residue 27
P3209
P6202
P3198
P6191
P2512
P6701
Atom C of residue 5
P3207
P6200
P2356
P2021
P2753
P3854
P3851
P2750
Atom HD21 of residue 25
P3205
P6198
P3204
P6197
Atom C of residue 27
P3197
P6190
Atom HG21 of residue 26
P7567
P8474
P3192
P6185
P2007
P6691
P8469
Atom HB3 of residue 24
P3188
P6181
P3187
P6180
P2003
P6178
P6155
P6154
P6151
P6150
P6140
P2466
P6149
P6147
Atom N of residue 7
Atom O of residue 24
P6145
P6141
P7159
P2007
P6136
P6135
Atom NE of residue 42
P171
Atom OE2 of residue 18
Atom HG2 of residue 18
P6132
P2447
ListSingletonContainer116
Atom HB of residue 23
P6131
Atom HE3 of residue 6
P6130
P6129
Atom HB3 of residue 21
P7497
Atom HE2 of residue 11
P8420
P6128
P6127
Atom O of residue 20
P3606
Atom OE1 of residue 16
P6090
ListSingletonContainer111
P6102
P3604
P7119
P3
P162
P6100
P3602
Atom HB of residue 5
P6098
P6
P3598
P6082
P7461
P64
P3595
P8388
P2424
P6094
P1921
Atom CA of residue 21
P6091
P8384
P3594
Atom HB of residue 9
P3593
Atom N of residue 16
P6089
P6088
P3588
P6084
P8377
P3587
P6083
P3585
P6081
P3584
P7111
Atom H of residue 18
P6080
P3583
P6079
P3581
P3952
P8362
P7099
P2001
P6077
P3579
Atom HG21 of residue 5
P6075
Atom CB of residue 18
P3578
P6074
P3574
P6070
P6066
Atom HG3 of residue 19
P6589
ListSingletonContainer580
P6065
P6064
P5633
P6062
P2619
P3720
P8280
P6503
P6060
P5620
Atom CD of residue 19
P6059
Atom CA of residue 19
P6058
P8279
P7445
Atom C of residue 41
P6057
P3078
P2610
P6055
P3077
P2609
P6054
P6500
P6052
P2376
P3056
P8275
P6499
P6495
P8237
P8335
P2604
P0
P8334
P3682
P6040
P6036
P10040
P2584
P3466
P6035
P6034
P2368
P6033
P6032
P6031
P6030
P6029
P6028
P1
P12278
Atom HB2 of residue 25
P6027
P6026
P6025
P6022
P6018
P3448
P6017
P6015
P6014
Restraint 136
P6013
P12260
P3
P6012
P6011
P6001
P2339
P6010
P6009
P8270
P5998
P2336
P6006
P6004
P3865
Atom HE2 of residue 1
P6002
P6446
P6445
P5985
ListSingletonContainer574
P5997
P6444
P5996
P5994
P7371
P5992
P5990
P6437
P5989
P6436
P5988
P5986
P3416
P7367
P3413
P2499
P8298
P5983
P7364
P5982
ListSingletonContainer469
P5981
P5980
P7343
P14
P5976
P145
P5975
P5973
P5972
P2310
P5969
P5955
ListSingletonContainer103
P5967
P2482
P2307
P5966
P146
P5965
P5952
ListSingletonContainer239
P5964
P5961
P5959
P5958
P5948
P2291
P5957
P5956
P5954
P6916
P3384
P3381
P2470
P5953
Atom C of residue 38
P2469
P5951
P5950
P8236
P5947
P5946
P5945
P5944
P5943
P5941
P5940
P5938
P5937
P2453
P5934
P5933
P6379
Atom H of residue 36
P5931
P5930
P5929
P5915
P127
P131
P5927
P5925
P5924
P5922
P5921
P5919
P5918
P5917
P12166
Atom CD of residue 31
P12164
Restraint 133
Atom HZ of residue 4
P5913
P9895
P5900
ListSingletonContainer170
P2433
P5912
Atom HG21 of residue 5
P2431
P5898
P150
P7289
P5910
P3769
Model 217
P5905
P2242
P5903
P5902
P9896
P5901
P2239
P6775
P3763
P5899
P5384
P9904
P5454
P9892
P2245
P5442
P5897
P1
P5896
P2898
P5893
P2896
P5891
P2413
ListSingletonContainer91
P2895
P5890
P5877
ListSingletonContainer89
P2894
P5889
P2411
P2893
P5888
P2410
P2892
P5887
P2408
P5418
P5873
P113
P2890
P5885
P2889
P5884
P2888
P5883
P2887
P12133
Atom H of residue 55
P5882
P5872
P2222
P2886
P5881
P2885
P5880
P2227
P2884
P5879
P2882
P2224
P2881
P5864
P60
P5876
P2880
P5875
P2878
P2877
P2875
P5870
P2394
P2874
P2219
P5869
P2873
P5868
P2863
P8521
P2872
P5867
P5863
P5862
P2857
P8397
P2
P5861
P2203
P3688
P0
P5860
P7237
P2864
P5859
P3284
P5853
Atom HB2 of residue 54
P3279
P5848
P3278
P3275
P2374
P2199
P5847
P3277
P5846
P5403
P3500
P2372
P3276
P5833
P101
P5845
P5844
P6945
P2368
P8379
P3274
P5843
P3273
P12093
P3673
Atom O of residue 53
P5842
P6943
Atom CB of residue 19
P8378
P3272
P5841
P3271
P5828
P83
P5840
P3269
P5829
P2183
P5826
P2180
ListSingletonContainer92
P5838
P3267
P5836
P3266
P5835
P6936
ListSingletonContainer524
P8371
ARG
P3265
P5834
P3263
P5832
P3260
P3259
P12079
Atom O of residue 52
P3258
P3257
UnaryFunction25
P3256
P12076
ASP
P3250
P6782
P3255
P3249
P6781
P5824
P3433
P73
P3645
Atom HA of residue 30
P6760
P2158
P5802
Atom CB of residue 49
P3305
P5288
P5801
P5800
P5799
P5798
P5797
P5794
P5792
P2323
P8478
P5791
P5789
P2320
P9793
P2155
P8528
P5788
P5787
P5786
Atom HE1 of residue 59
P8515
P5785
P5775
P2134
P5784
P5783
P2131
P5781
P5780
P5778
P2307
P5774
P5760
P1799
P5759
P5725
P5724
P2260
P5722
P3225
P8308
P5721
P5720
P57
P5719
P63
P8451
P5718
P8460
P5708
P1760
P5717
P5261
P5716
P5713
P5712
P11956
JeffreysRestraint_P0
P5710
P5709
P5705
P2244
P5704
Atom C of residue 63
P2241
P5701
P5700
P5699
P4981
ListSingletonContainer503
P3202
P8284
P5698
P8441
P8432
P5697
P5696
P8440
P5695
P5692
P5690
P5689
P5688
P5678
P1732
P5687
P5686
P5685
P3529
P6632
Atom HG22 of residue 61
P5683
P5682
P5681
P5680
P0
P8415
P5679
P8422
P5677
P5676
P1739
P8421
P5675
P2217
P5674
P1715
P2212
P5214
P5669
P5213
P5668
P5667
P5211
P5666
P0
P1577
P63
P5146
P5658
P2199
P6534
P6108
P8246
P62
P5143
P5656
P5141
P3447
Model 209
P5654
P1700
P9647
P5653
Atom N of residue 17
P5651
P3081
P5650
P8239
Atom CA of residue 18
P5649
P3079
P5648
P2192
P5647
P5646
P2
P5645
P5201
P1692
P5644
P5643
P5642
P5641
P5640
P2
P8298
P5638
P1685
P5637
P3505
P2177
P3496
P4914
Atom N of residue 3
P5123
P8371
P2639
P5633
P2636
P5630
P5119
P6506
P3492
P4910
P5116
P2635
P5629
P2164
P3491
P4909
P5115
P3494
P5118
P4912
P3482
Atom HD11 of residue 3
P6056
Atom HG23 of residue 9
P2634
P5628
P1547
P4908
P5114
P2633
P5627
P3489
P4907
P5113
P2632
P5626
P4906
P5112
P11886
P2172
P5616
P2622
P1674
P2631
P5625
P4916
Atom O of residue 40
P4904
P5110
P2629
P5623
P3485
P4903
P5109
P2628
P5622
P3484
P5108
P2615
P5609
P1
P8359
P2627
P5621
P2626
P5620
P9624
P8368
P8358
P2625
P5619
P2623
P5617
P8353
P2620
P5614
P5146
P5601
P1660
P2616
P5610
P2158
P2614
P5608
P1664
P2609
P1657
P11868
P2156
P5607
P5605
P2606
P11865
Atom CB of residue 40
P2153
P5604
P5156
P2149
P8349
P9588
P2594
P1650
P2603
P5599
P6037
P4875
P5081
P5585
P1645
P5594
P4874
P2544
P5080
P5593
P4873
P5079
P5592
P4872
P5078
P5591
P4871
P2541
P5077
P5590
P4870
P5076
P5589
P5075
P5588
P5074
P2138
P5587
P2536
P5073
P5586
P2129
P5071
P5070
P5583
P2127
Atom N of residue 5
P5069
P2133
P5582
P1504
P5068
P5581
P5067
P5580
P5066
P8330
P5579
P5065
P9571
P2580
P5578
P5577
P5063
P5576
ScoreState 32
P5062
P5575
P5061
P5574
P5058
P5571
P4847
P5055
P5568
P5054
P5567
Atom HG21 of residue 36
P1490
P5053
P5566
P5051
P1617
P5564
Atom CA of residue 3
P2515
P5048
P8312
P2564
P8311
P5559
P5557
P1796
P5553
P5039
P6426
P1779
Atom CG of residue 1
P5036
P5549
P5031
P5544
P1793
Atom HB3 of residue 19
P2497
P5030
P5543
Atom CE2 of residue 4
P5029
P5542
P5028
P5541
Atom CG of residue 19
P5025
P5538
P5024
P1778
P5537
P2492
P5023
P1609
P8286
P1602
P5539
P6918
P5536
P5021
P8285
P5534
P5020
P5533
P5019
P5520
P3
P5532
P5017
MD 20
P5530
P8354
P5014
P5527
P5012
P5010
P5523
Atom CD of residue 18
P5009
P1764
P2543
P5522
Atom HE3 of residue 33
P5008
P5521
P6621
P1447
P5007
P2476
P5005
P1574
P5518
Atom HB2 of residue 18
P5004
P5517
P8231
P5516
P8230
P5515
P3016
P5000
P6895
P1755
P5512
P5507
P5052
P8210
P5040
P5495
P5504
P5049
P3357
P8207
P5037
P5492
P1735
P5503
P5048
P8206
P5502
P5047
P8205
P5035
P5490
P3354
P8204
P5034
P5489
P3
P5033
P5488
P5498
P5043
P5031
P5486
P5497
P5042
P8200
P5030
P5485
P5496
P5041
P8199
P8198
P5028
P5483
P5493
P1559
P5038
P8196
P8192
P488
P8195
P5025
P5480
P5022
P5477
P1721
P8191
P5021
P5476
P5007
P5462
GeneralizedGuinierPorodFunction 63
P8189
P5019
P5474
P1710
P8188
P5018
P5473
P3338
P8186
P5016
P5471
P5482
P5027
P8185
P5015
P5470
P8184
P5014
P5469
P8183
P5013
P5468
P8182
P5012
P5467
P8179
P5009
P5464
P4995
P1
P8177
P1521
P5461
P6842
P1706
P9462
P2484
P3088
P5447
P1516
P3095
P5454
P1927
P1695
P3089
P5448
P6827
P1692
P3073
P5432
P1502
P1931
P471
P3080
P5439
P3079
P5438
P3078
P5437
P1681
P3069
P5428
P5427
P5426
P5425
P1916
P5424
P6377
P5421
P5419
P5418
P5857
P5416
P6795
P6792
P5413
P1661
P8543
P6791
P5412
P1901
P5855
P5414
P1485
P6793
P6790
P5411
P6789
P5410
P6788
P5409
P5399
P6778
P1471
P6787
P5408
P6785
P5406
P6784
P5405
P5403
P5402
P5404
P6783
P6780
P5401
P5364
P2793
P2787
P6319
P5363
P2792
P5362
P2791
P5361
P2790
P5360
P2789
P5359
P1844
P2786
P6723
P5344
P1
P5356
P2782
P5352
P4909
P3005
P5809
P1604
P8484
P5351
P3238
P2779
P5349
P2385
P2778
P6727
P5348
P2777
P5338
P6717
P1414
P4892
P6726
P5347
P3235
P2776
P6725
P5346
P2775
P6724
P5345
P2773
P6722
P5343
P2772
P2770
P6719
P5340
P8072
P1834
P8051
P2968
P1404
P2763
P6715
P5325
P5323
P2752
P6704
P1521
P5262
P5261
P2305
P1519
P5260
Atom OD1 of residue 32
ScoreState 27
P4746
P5259
P6359
P4745
P1338
P5258
P6358
P4744
P1516
P2302
P5257
Atom CB of residue 19
Model 417
P4741
P8378
P5254
P4739
P3136
P391
P5252
P1510
Atom HB3 of residue 32
P4738
P5251
P4737
P5250
Atom HA of residue 32
P4736
P5249
P1517
P4735
P5248
P4734
P8371
P5247
P5244
P2287
P4796
P6195
P4784
P5239
P4795
P8231
P6194
P4783
P5238
P4788
P8224
P6187
P4776
P5231
P5241
P4786
P6185
P8222
P4774
P5229
P5240
P4785
P6184
P8221
P4773
P5228
P1487
P6182
P6181
P4768
P5223
P8365
P5218
P2266
P5213
P5224
P4769
P5659
P3100
P374
P382
P5657
P2250
P5210
P5656
P8202
P1471
P5209
P5208
P8200
P8197
P8356
P8199
P5206
P8196
P5203
P5201
P369
P8192
P5190
Atom HB3 of residue 4
P5199
P1460
P8190
P5197
Atom CA of residue 26
P1457
P8187
P5194
P8186
P5193
P8185
THR
P5192
P8183
P8182
P8181
P5188
P2
P8180
P8177
P8337
P5187
P8179
P5186
P5184
P8174
P5181
P2606
P5179
P8168
P5175
P8167
P5174
Model 403
P8175
P2226
P8166
P5173
P8165
P5172
P8162
P5169
P1432
P5167
P8159
P5166
P3057
P354
P5165
P6126
P2591
P8315
P8157
P5164
P8156
P5163
P8155
P9155
P8152
P8313
P5162
P5161
P8153
P5160
P5159
P8150
P2202
P5157
P8148
P5155
P8147
P2199
P5154
P8146
P5153
P8144
P5151
P5147
P5
P5146
P5142
Model 165
P5141
P5140
P5139
P6514
P8287
P5137
P2564
P1403
Atom HB2 of residue 46
P5136
P5134
P8283
P1400
P3
P5133
P5130
P5129
P5128
P5127
P5126
P2551
P5122
P5119
P1386
P5118
P7832
P8109
Atom HA of residue 45
P5117
P5115
P5112
P5111
P5109
Atom CZ of residue 45
P2164
P5105
P5102
P5101
P1367
P5100
P5099
P5098
P5096
P8243
P5095
P5094
P5093
P5091
P9084
P5090
P5087
P325
P1353
P5073
P3
P320
P5085
P5083
P5082
P5081
P5080
P5079
P5078
P5077
P5076
P6462
P2135
P5072
P6452
Atom CG2 of residue 88
P1341
P5062
Atom CA of residue 11
P5071
P5069
P2543
P5068
P5514
P5067
P5066
P5064
P5063
P5060
P4539
P306
P5052
P4538
P5051
P4537
P5050
P4536
P5049
Atom HA of residue 5
P4535
P5048
P5046
P5492
P5045
P5491
P2521
P5044
P5031
P1
P2519
P5043
P5041
P5038
P5036
P5035
P5034
P2511
P5033
P5032
P8023
P5030
P8021
Atom CE1 of residue 4
P5028
P2495
P5015
GeneralizedGuinierPorodFunction 49
P8020
P1794
P5027
P8018
P5025
P1801
P8017
P5024
P8016
P5023
P8015
P5022
P8014
P5021
P8013
P5020
P292
P8012
P5019
Atom HG22 of residue 22
P1787
P8011
P5018
P4553
P5008
Atom HG22 of residue 3
P8010
P5017
P8009
P5016
P8008
P8005
P8003
P5010
P4554
P5009
P2490
P8001
P7998
P2487
P8000
P5007
P7999
Atom CD of residue 70
P5006
P5005
P1773
P7996
P5003
P7995
P5002
P2
P7991
P4998
P7990
P7989
P4996
P4995
P7986
P4993
P7985
P4992
P7983
P4990
P2019
P7982
P4989
P1759
P7981
Atom O of residue 54
P4988
P4987
P278
P7979
P4986
P7978
GLY
P4985
P2466
P4983
P4981
P2463
P6359
P4980
P2899
P2010
P4979
P4978
P4977
P4975
P4973
P4972
P4971
P4970
P4968
P4966
ILE
P4965
P4964
P4963
P1742
P2882
Atom CD2 of residue 4
P2885
P8561
P4961
P4960
P4502
P2442
Atom CB of residue 37
P4958
P4957
P4956
P4955
SER
P4954
P264
Atom OG1 of residue 118
P4953
P4951
P4950
P4949
P2434
P4948
ASP
P4946
P3
P4945
P4944
P4943
P4942
P4940
P4892
P1677
P4891
P4890
P1674
P4888
P11150
P8491
P4886
P4882
P4881
Atom CA of residue 69
P4879
P4877
P6256
bonded
P4874
P1660
P2366
P4873
P4872
P11135
P8477
Atom NZ of residue 1
P4871
P4870
P4838
P6219
P235
P8475
P7862
P8481
P5317
P6251
P6248
P4867
P1644
P7858
P2360
P2804
P5316
P6250
P6247
P4866
P7860
P5315
P6249
P6246
P4865
P5313
P1643
P6244
P4863
Atom HB3 of residue 72
P7855
P1650
P5310
P6241
P4860
P7854
P5309
P4862
P6243
P6240
P4859
P7852
P5307
P6238
P4857
P7849
P5304
P6235
P4854
P7847
P5302
P4855
P6236
P2348
P6233
P4852
P7846
P2790
P5301
Atom CB of residue 36
P7845
P5300
P4853
P6234
Atom CB of residue 72
P221
P7844
P5299
P4847
P7563
P8843
P4846
ASN
P1635
P4844
P4842
P6222
P4841
Atom HD21 of residue 71
P2165
P6221
P4840
P6220
P4839
Atom CD2 of residue 34
P4378
P5790
P4833
Atom HZ3 of residue 11
P8431
P4822
P2323
P6204
P7802
P4372
P4820
P2327
P1610
P7534
P8814
Atom N of residue 3
P4819
P8486
P7800
P4370
P2308
P4810
P7799
Atom O of residue 1
P4369
P4809
P7520
P203
Model 134
P8406
P7523
P8803
P4808
P5763
P4807
P5762
P4806
P8414
Atom C of residue 22
P1588
P7798
P4805
P4804
P4361
P7516
P8796
P4802
P7515
P8795
P4801
P8398
P7514
Restraint 50
P2298
P8794
P4800
P2722
P7513
P8793
P4799
P7512
P8792
P4798
P7511
P8791
P4797
P7510
P8790
P4796
P7509
P8789
P4795
P7505
P8785
P4791
P6179
P1582
P7504
P8784
P4790
Atom HG1 of residue 7
P7503
P8783
P4789
P5733
GaussianProcessInterpolation5
P7502
P8782
P4788
P7501
P8781
P4787
P7499
P8779
P4785
P2282
P8776
P4782
P8775
P4781
P8774
P4780
Atom CA of residue 68
Atom HB of residue 7
P7771
P8773
P8562
P4779
P8772
P1561
P4778
P189
P8770
P4776
P1568
P8769
P2277
P4775
P8767
P4773
P2708
P8382
P2274
P4772
P2269
P8762
P4768
P5192
P2
P8761
P8550
P4767
P8760
P4766
P8758
P4764
P8753
P4759
P8752
P4758
Atom HG of residue 67
P8751
P4757
P8750
P4756
P8362
Atom HB3 of residue 6
P8747
P4753
Atom N of residue 67
P8363
P5707
P8746
P4752
P8743
P6127
P4749
Atom O of residue 10
P8540
P2
P1540
P8739
P4745
P8738
P4744
P8728
P4734
P1968
P175
P8737
P2248
P4743
P8736
P4742
P8735
P4741
P8734
P2245
P4740
P2674
LYS
P7731
P8733
P4739
P7730
P8731
P4737
Atom HG12 of residue 5
P4735
P1526
P8724
P8516
P4730
P8723
P4729
P8721
P4727
P8720
P4726
P8719
P4725
P8718
P4724
P8717
P4723
P8716
P2229
P4722
P8714
P4720
P8710
P4716
SER
P1512
P2221
P8709
P4715
P8708
P4714
P8707
P4713
P8705
P4711
P161
P8704
P8497
P4710
P8703
P4709
P8702
P4708
P8701
P4707
P8700
P4706
P8699
P4705
Atom HD21 of residue 67
P8698
P4704
P1498
P8694
P4700
P8693
P4699
P5653
Model 406
P1484
P2205
P8691
P4697
P8690
P8484
P4696
P5650
P8688
P4694
P5649
P8687
P1939
P4693
P5648
P8686
P4692
P5647
P8685
P4691
Atom HD3 of residue 63
P8684
P2200
P4690
P5645
P7403
P8683
P4689
P5642
P8680
P4686
P5641
P8679
P4685
P5640
P8678
P4684
P2192
P8677
P4683
P2624
P5644
P8295
P5638
P8676
P4682
P8675
P4681
P8665
P4671
P2116
P8662
P4668
P2
Atom HB2 of residue 62
Atom CG2 of residue 66
P5636
P8674
P4680
P5635
P8673
P2129
P4679
P8672
P4678
P8276
P147
P8671
P4677
P8670
P4676
P8668
P4674
P1470
P8664
P4670
P4664
P10936
Atom H of residue 62
P4663
P4661
P8449
P4660
P10929
P5107
P4659
P2102
P4656
P1456
P2168
P4655
P8087
P4654
P8086
P4653
P8442
P4652
Atom HD13 of residue 61
P4651
P4650
Atom OE2 of residue 64
P4649
P8263
P4647
P4646
P4644
P5597
P4641
P1442
P4640
P4639
P4638
P2152
P4637
P1327
P4636
P4635
P2051
P2533
P2147
P4633
P8423
P4632
P4631
P8420
P2144
P4630
P4629
P4623
P8413
P4622
P4621
P8412
P4620
P4618
P4617
P4615
P8406
P4614
P4611
P1414
P4610
P4609
P2120
P4608
P4607
P4603
P8395
P4602
P2504
P2501
Atom CG of residue 62
P4601
Model 123
P1803
P4600
P4599
P2540
P5554
P4596
P1400
P4595
P4590
Atom CD2 of residue 3
P4589
P4588
Atom HG13 of residue 61
P4587
P4577
P4586
P4584
P8376
P4581
P4578
P4575
P4574
P4573
P4572
P8365
P5947
P1775
P4570
P2475
P4569
P4565
P5952
P1368
P4563
P4562
P4560
P8356
P4559
P4558
P10815
P5513
P4557
P10814
P5512
P4556
P1761
P4555
P2461
P4554
Atom CZ of residue 23
P4553
P8546
P4552
P4550
P7981
P4548
P8540
P4546
P8537
P4543
P5915
P5914
P5911
P4533
P4532
P4531
P4527
P4526
P1333
P4525
P4524
P4523
Atom CG of residue 79
P4521
P4519
P4518
P7252
Atom HH11 of residue 54
P4517
P1724
P4516
P4506
Atom HD13 of residue 73
P4515
P5895
P7506
Atom HG of residue 57
P4514
P4512
P4511
P2421
P4510
P4509
P4508
Atom NH2 of residue 54
Atom O of residue 57
P4502
P4500
P4497
P2408
P4496
P7927
Atom CG of residue 73
P4495
P4494
P4946
P5044
Atom CD2 of residue 15
P4493
P4490
P4489
P4488
P4487
P1696
P4486
P4485
P4484
GaussianProcessInterpolation7
P4483
P4482
P4481
P5042
P5430
P2461
P5030
PHE
P4479
P4476
P4475
P4474
P4473
P4472
P4470
P4469
P4468
P7898
P2416
P5421
P5424
Atom CA of residue 55
P4466
P4465
P4463
P7893
Atom HD12 of residue 50
Atom HH12 of residue 54
P4461
P4460
P4459
P4458
P1668
P4456
P4454
P4451
P7882
P7164
Model 117
Atom CB of residue 50
Atom H of residue 54
P4450
P43
P4449
Atom C of residue 3
P4995
Atom HG23 of residue 17
P4444
P4439
P2422
Atom HA of residue 2
Atom HA of residue 59
P7871
P4438
P7870
P4437
P7159
Atom HA3 of residue 53
P1642
P2427
P7869
P4436
P4986
Atom HD11 of residue 15
P2419
P7868
P0
P4433
P7864
P5800
P4422
P4122
SER
P4431
P7863
P5799
P4421
P4121
P4430
P7862
P5798
P4420
P4120
P4429
P7861
P4428
Atom O of residue 59
P7860
Atom HB3 of residue 49
P4427
Atom NE2 of residue 2
P7859
P4426
P7858
Atom C of residue 49
P2344
P4425
TYR
P7857
P4424
P7856
P4123
P4423
P69
P2414
P7855
P1628
P7854
P7853
P7852
P5797
P4419
Atom HE3 of residue 1
P4865
P7848
P4418
P5796
P5793
P4415
P4864
P7847
P4417
P1633
P5795
P5792
P4414
Atom HA of residue 1
P4862
P7845
P4861
P7844
Atom HB3 of residue 48
P5369
P2331
P1626
P5789
P4411
Atom N of residue 74
ASP
P4860
P7843
P4413
P5791
P5788
P4410
P4859
P7842
P5786
P4408
P1326
P4857
P7840
P2042
P5785
P4407
P1614
P2393
P4856
P7839
P5784
P4406
P5771
P4393
Restraint 32
P5783
P4405
P5782
P4404
P4392
P2028
P5365
P4846
P5779
P4401
P4402
P1619
P5780
P5777
P4399
P4398
P5775
P4397
P4385
P4384
Atom CD1 of residue 50
P4383
P2503
P5332
P7369
P4377
P5331
P7368
P4376
P2298
P7364
P1592
P5330
P7367
P4375
P5329
P7366
Atom CG2 of residue 36
P4925
Atom H of residue 12
Atom HD1 of residue 45
Atom HE22 of residue 49
P4374
P5316
P29
P5325
P8365
P7362
P4817
P4370
P7361
P4816
P4369
P21
P4815
P2483
P4368
Atom HZ of residue 45
P7359
P2335
P4814
P4367
GeneralizedGuinierPorodFunction 6
P5321
P7358
P4813
P1584
P4366
P5320
P7357
P4365
P4362
P7353
P4808
SingletonScore 15
P2286
P4361
P2321
P4800
P2283
P7349
P4358
P7347
P4356
P7346
P4355
Atom CG of residue 45
P4802
P7345
P4354
P4801
P7344
P4353
P7343
P4352
P4798
P4797
P4788
Atom HG13 of residue 44
Atom HD3 of residue 48
P5727
P4349
P4796
P4348
P4795
Atom HG2 of residue 48
P4794
P4346
P6
P4793
P4345
P4792
P4344
P4791
P4343
P4789
P4341
P11
P4787
P4339
P4786
P4338
P2307
P4785
P4337
P4784
P1556
P4336
P5716
Atom O of residue 48
P4783
P4335
P2267
P4782
P4334
P4781
P4333
P5713
LYS
P4780
P4332
P4778
P4330
Atom C of residue 44
P4777
P4329
Atom N of residue 44
P4774
P8215
P4768
P2254
P4326
P4773
Atom CA of residue 60
Atom HG23 of residue 5
P4325
P4873
Atom C of residue 16
P2293
P8217
P4770
P4322
P8216
P4769
Atom CB of residue 14
P1542
P4321
P4320
Atom CG1 of residue 17
P8214
P4767
P4319
P8310
P1539
Atom HA of residue 46
P8213
P4766
P2438
P4318
Atom CA of residue 47
P8210
P4763
P8209
P4762
P4314
P8208
P4761
P4313
P8206
P4759
P4311
P8204
P4757
Atom CG2 of residue 58
P4309
P4756
P8197
P4750
P2238
P4308
P2279
P4755
P4307
P2236
Atom HD2 of residue 45
P4754
P1528
P4306
P8194
P4747
P2235
P4305
P8199
P4752
P4304
P8198
P4751
P4303
P4302
P8196
P4749
P4301
P8195
P4748
P4300
P4299
P8191
P4744
P8182
P4735
Atom CD2 of residue 45
P4296
P2429
P6964
Atom CA of residue 2
P7287
P8190
P4743
P4295
P8192
P4745
Atom HD3 of residue 42
P8189
P4742
P4294
P8188
P4741
P4293
P2265
P8187
P4740
P4292
P1514
P4291
P8185
P4738
P4290
P10559
P8184
P4737
P4289
P8183
P4736
P4288
P8281
P4287
P8181
P4734
P4286
P8180
P4733
P4285
P8179
P4732
P4723
P7706
P8170
Atom HD11 of residue 44
P4284
P8178
P4731
Atom CA of residue 56
P2406
P4283
P6995
Atom HG21 of residue 44
P8176
P4729
P5659
P4281
P4277
P8169
P7705
P4722
P4274
P8168
P7704
P4721
P4715
P8162
P2206
P4273
P7703
P8167
P4720
P4272
P8166
P7702
P4719
P4271
Atom O of residue 44
P8165
Atom HA of residue 41
P2209
P7701
P4718
P8264
P4270
P7700
P8164
P4717
P4269
P8163
P4716
P4268
P7697
P8161
P4714
P4266
P7696
P8160
P4713
P7695
P8159
P4712
P4264
P7694
P8158
P4711
P4263
P2237
P7693
P8157
P4710
P8155
P7691
P4708
P4260
P7690
P8154
P4707
P4259
P4257
Atom HB2 of residue 43
Atom CB of residue 66
P4256
P4254
P5198
Atom HG21 of residue 7
P4253
P4251
P4249
P4248
P4245
P4244
Atom ND2 of residue 65
P4242
P7671
P4688
P4240
P4239
P2206
Atom HE of residue 42
P4238
P4235
P4234
P4232
P4670
P1332
P1458
P4231
P2358
P4230
P4229
P4228
P4675
P4227
ModelScoringFunction23
P4674
P4226
P4672
P4224
P4671
P2195
P4665
P2161
P4223
P4669
P4221
P4667
P4646
ModelScoringFunction22
P4219
Atom N of residue 42
P4666
P4218
P4664
P1444
P4216
P4663
P4215
P2158
P4662
P4653
Atom HG3 of residue 41
P4214
P4661
P4213
P4660
P2342
P4212
P4659
P4211
P4658
P4210
P2351
Atom H of residue 41
P4657
P4209
P4656
P4208
P4652
P4204
P2181
P4650
CYS
P4202
P4649
P1430
P4201
P4648
P4200
P4647
P4199
P2329
P4198
P4645
P4197
Atom CB of residue 41
Atom CA of residue 37
P4642
P4194
P4639
P2163
P4633
P2132
P4191
P2332
Atom NE2 of residue 40
P4636
P8182
P4188
P2167
P4635
P8181
P4187
P4634
P1416
P8180
P4186
P4632
P8178
P4184
P4631
P4625
P2121
P8177
Atom CD2 of residue 23
P4183
P4630
P8176
P4182
Atom H of residue 36
P4628
P4627
P8173
P4179
P4626
P8172
P4178
P4624
P8170
P4176
P4623
P8169
ALA
P4175
P1676
P10435
Atom H of residue 39
P4622
P8168
P4174
P4621
P8167
P4173
P4616
P4612
P7157
P8158
P4164
P2289
P7145
P8146
ARG
P4152
P4597
P7142
P8143
P4149
P1648
P10414
P4592
P7137
P8138
P4144
P10413
P4591
P8137
P4143
P10412
P4590
P8136
P4142
P8135
P4141
P1370
P8133
P4139
P10407
P4585
P8131
P4137
P10406
P4584
P10397
P4575
Atom O of residue 37
P8130
P4136
P10405
P4583
P8129
Atom CZ of residue 125
P4135
Atom OG1 of residue 9
P10404
P4582
P8128
P4134
P10403
P4581
P10394
P4572
PRO
P8127
P4133
P2265
P4127
P10396
P1637
P4574
P4126
P10395
P4573
P495
P4125
P1356
P4124
P1364
Atom HD12 of residue 8
P1357
P5502
P5499
P4117
P5501
Atom CG2 of residue 36
P1350
P2117
Atom N of residue 33
P4113
P4107
P4105
P4557
P4102
Atom HB3 of residue 69
Atom CA of residue 70
P0
P7542
P1615
P6823
P1808
P7540
P10378
P8003
P7539
P6821
P10366
P7527
P7991
P7098
P4095
P7539
P10377
P8002
P7538
P1601
P6820
P7538
P10376
P8001
P7537
P6819
P10364
P7525
P7989
P7537
P10375
P8000
P7536
P6818
P10363
P7524
P7988
P6827
Atom CA of residue 35
P4092
P1
P4553
P7535
P10373
Atom CA of residue 36
P7998
P7534
P6813
P485
P6816
P8094
P1336
P10361
P7522
P7986
P4090
Atom OE1 of residue 41
P7534
P10372
P7997
P7533
P6815
P10360
P7521
P7985
P4089
P4551
P7533
P10371
P7996
P7532
P4530
P6814
P4550
P7532
P10370
P7995
P7531
P10358
P7519
P7983
P6822
Atom HB3 of residue 34
P4087
P4549
P7531
P10369
P7994
P7530
P6812
P10357
P7518
P7982
Atom O of residue 122
P4086
Atom HD11 of residue 69
P7529
Atom CG of residue 123
Atom HB of residue 7
P6810
P10355
P7516
P7980
P4084
P7528
P6809
P10354
Atom OE1 of residue 34
P7515
P7979
ALA
P4083
P7527
Atom N of residue 34
P6808
P4082
P7525
P2245
P6806
P7512
P7976
P4080
P7524
P10362
P7987
P7523
P1587
P6805
P4079
Atom HG3 of residue 40
P7522
P6803
P7509
P7973
P4077
P7521
Atom O of residue 69
P7518
P10356
P7981
P7517
P6817
P4533
P6799
Model 105
P7505
P7969
P4073
P1315
P7517
P8088
Atom N of residue 7
P6798
P7504
P7968
P4072
P3626
P4102
Atom HZ1 of residue 33
Atom CE1 of residue 68
LEU
P7515
P6796
P7502
P7966
P4070
P7513
P6794
P7500
P7964
P4068
P4532
P7512
P6793
P7499
P7963
P7510
P6791
P4065
P7509
P1573
P6790
P4064
P4528
P7508
P7507
P6789
P478
P7495
P7959
P4063
P8265
P4526
P7506
Atom NZ of residue 6
P6787
P7493
P7957
P4061
P4525
P7505
Atom C of residue 33
P6786
P7492
P7956
P4060
P8244
P4524
P7504
P7967
P7503
P7491
P7955
P6785
P8473
P4059
P4523
P7503
Atom HA of residue 6
P6784
Atom CE of residue 33
P7490
P7954
P4519
P7499
P6780
P7486
P7950
P4054
Atom NZ of residue 29
P6779
P7485
P7949
P3606
Atom CA of residue 33
P4515
P7495
P6776
P7482
P7946
P8463
P4514
P7494
P1559
P6775
P4049
P4512
P7492
P6773
P7479
P7943
P4047
P4511
P7491
Atom C of residue 32
P6772
P7478
P7942
P4046
P4510
P7490
P2213
P7953
P7489
P6771
P2032
P7477
P7941
P4045
Atom HE of residue 42
P4509
P7489
P7952
P7488
P6770
P2031
Atom OD2 of residue 32
P7476
P7940
P4044
P4506
P7486
P6767
P7473
P7937
P4041
P4505
P7485
P7948
P7484
P6766
P4040
P4504
P7484
Atom HA of residue 28
P6765
P7471
P7935
P4039
P4503
P7483
P6764
P7470
P7934
P4038
P4500
P7480
P6761
P4499
P7479
P4037
P5427
P1545
P6760
Atom HD11 of residue 3
P5424
P4034
P4498
P7478
P4036
P5426
P6759
P7465
P7929
P5423
P4033
P4496
P7476
Atom HG of residue 65
P7939
P7475
P6757
P5421
P4031
P4495
P7475
P7938
P7474
P6756
P464
P7926
P5420
P4030
P4493
P7473
P6754
P7924
P4028
Atom CA of residue 43
P4492
P7472
Atom HB2 of residue 39
P6753
P7923
P4027
P4491
P7471
P6752
P7922
P5416
P4026
P4490
P7470
P6751
P7921
P5415
P4025
Atom N of residue 42
P4489
P7469
P7932
P7468
P6747
P457
P6750
P2029
P7920
P5414
P4024
P3578
Atom CD of residue 37
P4487
P7467
P6748
P7918
P1408
Atom N of residue 67
Atom O of residue 13
P4485
P7465
Atom HG3 of residue 31
P7464
P4023
P5413
P6746
P7916
P5410
P4020
P4484
P7464
P7463
P1531
P6745
P5409
P4019
Atom HG2 of residue 64
P6743
P7913
P5407
P4017
P2187
P6742
P7912
P5406
P4016
P5113
P4479
P7459
Atom CD of residue 27
P6740
Atom HD12 of residue 30
P7910
P5404
P4014
Atom CD of residue 41
P4478
P5112
P7458
P2184
P6739
P7909
P5403
P4013
P5110
P4476
P7456
P6737
Atom HD11 of residue 30
P7907
P5401
P4011
Atom HG23 of residue 36
P5109
P4475
P7455
P6736
P5400
P4010
P5120
Atom HG3 of residue 37
P7973
Atom HB2 of residue 65
P4473
P7453
P6734
P1994
P7904
P5398
P4008
P4458
P7438
P5092
P1
Multivariate Normal distribution 4
P5104
P4470
P7450
P6731
P7901
P5395
P4005
P5102
P4468
P7448
GLU
P4006
P5396
P7899
P5101
P4467
P7447
P7898
P5100
Atom HG2 of residue 40
P4466
P7446
P4004
P5394
P7897
P5391
P4001
P5099
P4465
P7445
P7896
Atom CG1 of residue 36
P5098
P4464
P7444
P7895
P5389
P3999
P3554
Atom CG2 of residue 30
P5097
P4463
P7443
P5388
P3998
P5096
P4462
P7442
P1967
Atom CB of residue 30
P450
P7893
P4461
P5095
P7441
P7892
P5386
P3996
P6985
Atom NE2 of residue 40
P5093
P4459
P7439
P7890
P5384
P3994
P5091
P4457
P7437
Atom HG2 of residue 63
P6730
P1517
P3995
P5385
P7888
Atom HG13 of residue 13
P0
P5088
P4454
P7434
P5379
P3989
P4441
P5075
P7421
P1704
Linear1DFunction 41
P4453
P5087
P7433
P3991
P5381
P7884
P5378
P3988
P5086
GLN
P4452
P7432
P3990
P5380
P5377
P3987
P5085
P4451
P7431
P7882
P5376
P3986
P5084
P4450
P7430
P7881
Atom HE21 of residue 62
P5375
P3985
Atom CA of residue 64
P5082
P4448
P7428
Atom HG3 of residue 29
P7879
P5373
P3983
P4447
P5081
P7427
P7878
P6972
Atom HG21 of residue 5
P5080
P4446
P7426
Atom O of residue 63
Atom CB of residue 129
P3984
P5374
P7877
P5371
P3981
P6971
GLN
Atom HB2 of residue 34
P5079
P4445
P7425
P7876
P5370
P3980
P5078
P4444
P7424
P7875
P5369
P3979
Atom H of residue 34
Atom HZ1 of residue 63
P5077
P4443
P7423
LYS
P1967
P7874
P5368
P3978
P5074
P4440
P7420
P3966
P2059
P3975
Atom CA of residue 15
P5073
P4439
Atom HG22 of residue 13
P7419
P3977
P5367
P3529
Atom CD of residue 29
P5072
P4438
P7418
P3976
P5366
P3973
P5071
P4437
P7417
P3972
P5070
P4436
P7416
P3971
P5068
P4434
P7414
P3969
P5067
P4433
P7413
P5066
P4432
P7412
P3967
P4430
P5064
P1877
P7410
P3965
P5063
P4429
P7409
P3964
P5062
P4428
P7408
P2139
Atom HB2 of residue 25
P3963
Atom HE2 of residue 33
P5061
P4427
P7407
P1489
Atom HB1 of residue 28
P3962
P429
P3958
P5056
P4422
P7402
P3957
P5055
P4421
P7401
P3956
Atom HB2 of residue 33
P5054
P1868
P4420
P7400
P1806
P3955
P4419
P5053
P7399
P3954
Atom H of residue 33
P4418
P5052
P7398
P3953
P4416
P5050
P7396
P3951
P5049
P4415
P7395
P3941
P2041
P3950
P4414
P5048
P7394
Atom HG2 of residue 24
P3949
P5047
P4413
P7393
P3948
P3482
P2038
P3503
Linear1DFunction 39
P5046
P4412
P7392
Atom O of residue 24
P1475
P3947
P4410
P7390
P3945
Atom CD of residue 62
P5043
P1896
P4409
P7389
P3944
P5041
P4407
P7387
P7841
P3942
P5040
P4406
P7386
P5038
P4404
Atom HE of residue 74
P7384
P3939
P5037
P4403
P7383
P3938
P5036
P4402
P7382
P0
Atom CE of residue 27
Atom HD2 of residue 11
P5033
P4399
P7379
P1799
P3934
P5032
P4398
P7378
P3933
Atom O of residue 74
Atom HG23 of residue 61
P5031
P4397
P7377
P1461
P3932
Atom CA of residue 74
P5029
P1883
P4395
P7375
P5027
Linear1DFunction 38
P1881
P4393
P7373
P7824
P3928
P3927
P1904
Atom H of residue 42
P415
P3915
P2024
Atom HB of residue 23
P4891
P3921
P1785
P1771
Atom CZ of residue 42
P3919
P3918
P1447
P3917
Atom HH of residue 59
P6918
P3914
P3913
P3911
Atom HD1 of residue 59
P3909
Atom CA of residue 73
Atom HD12 of residue 3
P3908
P3907
P3906
Atom HB3 of residue 42
P3904
P3902
Atom O of residue 76
P3900
P3898
Atom N of residue 22
P3896
P3894
Atom HD3 of residue 19
P401
P3892
P3891
P1757
P3444
P10159
P7784
Atom H of residue 24
P3879
Atom HZ3 of residue 27
Atom CA of residue 21
P3888
P1419
P3884
P3883
Atom HD3 of residue 74
P3881
Atom HB3 of residue 20
P4
P4845
P3878
P3432
Atom HD13 of residue 23
P4841
P4838
P3873
Atom OG of residue 57
P4868
P3870
P3869
P3867
PRO
Atom HA of residue 23
P3866
P1722
P3865
P3864
P2117
P3862
P3860
P7878
P1729
P387
P3859
P3858
P1862
P4837
Atom O of residue 19
P1391
P3848
P2104
P3857
P3855
P5243
P3853
P3852
P10114
P2125
P6576
P3837
P2
P3849
P3846
P2111
Atom C of residue 56
P7289
P3845
P3399
P6569
Atom NH2 of residue 42
P3843
P4941
Atom CB of residue 22
P4307
P7287
Atom N of residue 56
P1377
P3833
P2090
P3842
P3839
P1829
Atom HA of residue 21
P3836
P2086
P1694
P3835
P3834
P3832
Atom CB of residue 55
P3819
P3
Atom HE of residue 54
P3831
P3830
P1701
P3829
P1832
Atom HA of residue 17
P3818
P2076
P3827
P7726
P1359
P3825
P3822
P3821
P2072
P3816
P3815
Atom HG3 of residue 54
P1687
P3814
P5203
P3813
P3803
P2062
P3812
P7711
P1345
Atom HD2 of residue 19
P3810
P3809
P1673
P8203
P1343
P3808
P3807
P7247
P3806
P3804
Atom CA of residue 16
P3802
P361
P3801
P3800
P6545
Atom O of residue 22
P3354
P1785
P6524
P6533
Atom CA of residue 19
P3798
P3797
P3795
P3794
P6528
Atom HB3 of residue 18
P3793
Atom CA of residue 53
P3792
P3791
P3789
P3788
P3787
P3786
P1659
P3784
P3783
P3780
P7689
Atom CA of residue 15
P3779
P3777
Atom CG2 of residue 9
P3776
P1638
P3775
Atom HG21 of residue 14
P3774
Atom HB3 of residue 51
P3773
P3771
P3770
P1645
P1631
Atom N of residue 9
P3769
P3768
P3767
P2043
P6767
P2036
Atom CG1 of residue 3
P3765
P3763
Atom C of residue 51
P3762
P3752
Atom HG2 of residue 16
P3761
Atom N of residue 51
P3759
P3749
Atom HA of residue 16
P3758
P3756
P3755
P1617
Atom CD2 of residue 8
Atom H of residue 8
P3754
P3753
P1610
P3745
P3735
Atom CA of residue 44
Atom N of residue 8
LEU
P3744
P3742
P3740
Atom CA of residue 50
P3726
P1
P3738
P3737
Atom H of residue 7
Atom HA of residue 7
P3734
P3733
Atom CA of residue 7
P3729
P3728
Atom CD of residue 49
P3716
Atom HB2 of residue 48
P2106
P3725
P1603
P3724
P3722
P3720
P3719
P3717
P3713
P3712
P3701
P2092
P3710
P3709
P3708
P3707
P3705
P3704
Atom H of residue 75
P3703
P3699
P3698
P3697
P3686
P2078
P3695
P3694
Atom CB of residue 14
P3693
Atom HA3 of residue 10
P3692
P3690
P7655
P7135
Atom HG3 of residue 74
P3689
P3687
P1813
P3684
P3683
P3681
P3671
P2064
P3680
P3679
P341
P3678
P3677
Atom CG2 of residue 13
P3673
P3672
P1799
P3669
P3668
P3667
P3666
P3662
Atom HZ3 of residue 11
P3659
Atom HD12 of residue 44
P3658
P1988
P3657
P3656
P1785
P3646
P2046
P7619
Atom O of residue 73
P3653
P3652
P7616
LEU
P3650
Atom CE of residue 11
P3648
P3647
P327
P3644
P3643
P3642
Atom N of residue 10
P1771
P3631
P2032
P3638
P3636
P2
Atom CG2 of residue 44
P3635
P1519
Atom C of residue 10
P3634
P3633
P3632
P2057
P7594
P2
Atom CG of residue 72
P3628
P3627
P3626
P1757
P3616
P2018
Atom CG of residue 43
P1894
P3624
Atom HD13 of residue 43
P3623
P3622
P3620
P1505
P3619
Atom HG of residue 8
P3618
P6620
P6618
P3613
P313
P6617
P3612
P6616
P3611
P1743
P3601
P2004
P6615
P6611
P1880
P6614
P3609
P6613
P3608
Atom C of residue 8
P2011
P6612
P3607
P6619
Atom N of residue 43
P6610
P3605
P1491
P6609
P7566
P1344
Atom N of residue 71
P6605
P6603
P3598
P6601
P3596
P3586
P1990
P6600
P6596
P1866
P6599
P3594
P6598
P3593
P1997
P6597
P3592
P6595
P3590
P6606
P1477
P6594
P3589
P6593
P3588
P4116
Atom CB of residue 22
P6590
P6589
P3584
P6588
P3583
P6587
P3582
P1658
P1715
P6585
P3571
P1976
P6581
P1852
P299
P6584
P3579
P6592
Atom HE22 of residue 41
P6583
P3578
P1983
P6582
P3577
P6591
P1463
P6579
P3574
P3573
P6575
Atom N of residue 41
P6574
P3569
P6573
P3568
P6572
P3567
P6571
P3566
P1701
P6570
P3556
P1962
P6568
P3563
P1969
Atom HB2 of residue 40
P6567
P3562
Atom H of residue 40
P6565
P3560
P1449
P6358
P6564
P3559
P6563
P6562
P3557
P6560
P3555
P6559
P3554
Atom O of residue 7
P1610
P0
P6557
P3552
P1687
P6555
P3541
P1952
P1948
P1428
P3550
Atom HA of residue 39
P6551
P1958
P6554
P3549
P1955
P6552
P3547
P6550
P3545
P6561
P1435
P6549
P6548
P3543
P6547
P3542
P6545
P3540
P1960
P6553
Atom HB3 of residue 39
P6544
P3539
Atom O of residue 12
P6541
P3536
P1941
P6537
P1945
P3526
P1934
P6540
Atom HD3 of residue 38
P6539
P3534
P6538
P3533
P3532
P6535
P6546
P1421
P6534
P3529
P6533
P3528
Atom CD2 of residue 67
P6532
P3527
P6529
P3524
P6527
P3522
P6526
P3521
PRO
P6525
P3511
P1920
P6524
P3519
P6523
P4553
P3518
P1927
P6522
P3517
P6531
P1407
P6528
Atom O of residue 38
P4549
P6519
P3514
P271
P6518
P3513
P6517
P3512
P6510
P3496
P1906
P6509
P3504
P0
P6508
P3503
P1913
P6507
P3502
P6514
Atom CG of residue 37
P3500
P13141
Atom HB2 of residue 65
P6516
P1393
P4891
P6504
P3499
P6502
P3497
P3495
P3494
P3493
Atom CD1 of residue 36
P3491
P3481
P1892
P3490
P3489
P1368
P3488
P2
P3487
P3485
P1379
P3484
P3482
P7871
P3480
P7870
P3479
Atom C of residue 35
P7868
P3477
P7867
P3476
Atom C of residue 36
P3466
P7857
P1878
P7866
P3475
Atom N of residue 36
P7851
P3460
P2
P7863
P3472
P7944
Atom HZ1 of residue 63
P7860
P3469
P7859
P3468
P1361
P7858
P3467
P7424
P251
P7856
P3465
P7855
P3464
Atom CG of residue 34
P7854
P3463
P7852
P3461
P7842
P3451
P1864
P7850
P3459
P7848
P3457
P7845
P3454
P7844
P3453
Atom HD2 of residue 33
P7840
P3449
P7839
P3448
P1375
P3447
P3434
P1
P7837
P3446
P7834
P3443
P4840
P1335
P4838
P1333
P7407
P1905
P1850
P7827
P3436
P7391
P237
P3432
Atom HG of residue 71
P3431
P3429
P4462
P6432
P3427
P4460
P4454
P1
P6430
P1828
P3425
P4459
P6429
Atom CG of residue 32
P3424
P233
P4458
P2547
P6428
P7898
Atom HG23 of residue 61
Atom HE1 of residue 4
P3423
P4457
P6427
P3422
P8262
P4456
P1825
P6426
P7392
P1891
P4808
P3421
P3419
P3416
P3415
P3414
P3413
P3412
P8258
P3408
Atom CB of residue 42
P3407
P3405
P3401
P4514
P7875
Atom HD22 of residue 60
P3400
P3390
P1836
P223
P3399
P3398
P3397
P3396
P3395
P3394
P3393
Atom O of residue 60
P3379
Atom HD13 of residue 30
P3388
P7353
P6833
P3387
P4500
ASN
P7352
P6832
P3386
P3385
Atom HE2 of residue 59
P3383
Atom CB of residue 45
P6828
P7351
P6827
P8240
P6180
P3381
P3380
P2050
P6823
P3377
P4489
Atom H of residue 59
Atom HD12 of residue 44
P8200
P6821
P6892
Covariance1DFunction 1
P3366
Atom HD13 of residue 15
P8199
P6820
P3374
Atom H of residue 30
P3373
Atom HG22 of residue 44
P8196
P6817
P3371
P8195
P6816
P3370
P6818
P8197
Atom N of residue 12
P3369
P8192
P6813
P3367
Atom HA of residue 44
P8179
P6800
P153
P8191
P6812
P209
P4478
Atom C of residue 59
P8189
P6810
P6811
P8190
P7972
Atom HG13 of residue 13
P3362
P6809
P8188
P8185
P6806
P3360
P3359
P6807
P8186
P8183
P6804
P3358
P4395
Atom CG2 of residue 12
P8182
P6803
P3357
P8181
P6802
P3356
P3354
P8178
P6799
Atom HD2 of residue 59
P6801
P8180
P3352
Atom C of residue 58
P8175
P6796
P3349
P6797
P8176
P2
Atom NZ of residue 29
Atom N of residue 58
P8172
P6793
P3347
Atom HB3 of residue 43
P3346
Atom HB3 of residue 57
P8170
P6791
P3345
P8169
P6790
P3335
Atom HB3 of residue 1
P3344
P205
P2120
P4380
Atom HA of residue 1
P8167
P6788
P2118
P3342
P8166
P6787
P3341
P6789
P8168
P3340
Atom CD1 of residue 59
Atom HD21 of residue 71
P8163
P6784
P1
P3338
Atom HA of residue 28
P3334
P6337
P4447
Atom HD23 of residue 56
P8161
P8158
P6779
P195
P3333
P8156
P6777
P3331
P8155
P6776
P3330
P8154
Atom CG of residue 43
P6319
P6775
P3329
P1981
P7767
P1974
P6738
P3292
Atom CA of residue 41
P13040
Atom HG3 of residue 54
P7764
P6735
P3289
P7763
P6734
P3288
Atom CB of residue 56
P7762
P6733
P3287
P7759
P6730
P2014
P3284
Atom HA of residue 54
P3283
P2062
P3282
P3281
P3280
Atom HB2 of residue 25
P3279
P3269
P2000
P3278
P3277
P3276
P7244
P3274
P174
P7243
P3273
P7241
P3271
P7240
Atom HG2 of residue 24
P7235
P3265
P7234
P3264
P3254
P1986
P7233
P3263
Atom O of residue 24
P7656
P7230
P3260
P7655
P7229
P3259
P7227
P3257
P7652
P7226
P3256
Atom OD2 of residue 52
P7651
P7228
P8556
P7225
P3255
P7650
P7649
P7223
P3253
P7648
P7222
P3252
P7647
P7221
P3251
P7645
P7219
P3249
P7644
P7218
P3248
P7643
P7217
P3247
P7641
P7215
P3245
P7637
P7211
P3241
P4278
Atom CD1 of residue 13
P7642
Atom HB of residue 23
P7636
P160
P7210
P3240
P7634
P7196
P4
P7208
P3238
Atom CA of residue 17
P7633
P7207
P3237
P7631
P7205
P3235
P7629
P7203
P7628
P7202
P3232
P7627
P7201
P3231
Atom HG13 of residue 70
P7626
P7200
P3230
P7624
P7198
P3228
P7623
P7197
P3227
P7621
P8524
P7195
P3225
Atom H of residue 42
P7619
P8523
P7193
P3223
P7618
P7192
P3222
Atom NH1 of residue 42
P7617
P7191
P3221
P7622
Atom HB3 of residue 42
P7616
P7190
P3220
P7815
P4251
P6015
P6221
P4330
Atom CD2 of residue 50
P7612
P7186
P3216
P6014
P7814
P4250
P6220
P7611
P3206
Atom CG of residue 15
P3215
P6012
P7812
P4248
P6218
P7811
P4247
P6011
P6217
P7614
Atom N of residue 22
P7608
P3212
P6010
P7810
P4246
P6216
Atom CA of residue 20
P7607
P3211
P6017
P1999
P6008
P6214
P7605
P3209
P6222
Atom H of residue 21
P7816
P4252
P8511
P7807
P4243
P6213
P3199
Atom H of residue 28
P7604
P3208
P6005
P7805
P4241
P6211
P7602
P6016
Atom HA of residue 12
P6004
P7804
P4240
P6210
P7601
P3205
Atom CB of residue 13
P7166
P6003
P7803
P142
P4239
P6209
P4318
Atom HG3 of residue 49
Atom N of residue 21
P7600
P146
P8507
P1985
P6002
P7802
P8498
P4238
Atom HA of residue 20
P6208
P7599
P6001
P6207
Atom HB3 of residue 20
P7598
P3202
P1940
P5999
P7799
P4235
P6205
P3200
P7798
Atom HD12 of residue 73
P8494
P4234
P5998
P6204
P7796
P4232
P6202
P7593
P3197
P7795
P4231
P5995
P6201
P7592
P3196
P5994
P7794
P4230
P6200
P7591
P3195
P5992
P7792
P4228
P6198
P4307
Atom CB of residue 49
P7589
P3193
P5989
P7789
P4225
P6195
Atom HD3 of residue 19
P7586
P3181
P1931
P3190
P135
P5988
P7788
P4224
P6194
P7585
P5986
P7786
P4222
P6192
P7583
P3187
P5984
P7784
P4220
P6190
P6692
P1977
P7581
P3185
P5982
P7782
P4218
P6188
P7579
P3183
P5980
P7780
P4216
P7577
P7779
P4215
P6185
P7576
P3180
P5987
P1971
P5978
P6184
P4293
P7656
Atom HG3 of residue 48
Atom O of residue 19
P7575
P7775
P4211
P6181
PRO
P7572
P3176
P7571
P3175
P6683
LEU
P7569
P6177
P3173
P7568
P7561
P8493
P7567
P6175
P3171
P7566
P121
P4282
P7645
Atom CB of residue 48
P7564
P8474
P7556
P2137
P7562
P6170
P3166
P7560
P1956
P5971
P7134
P6168
P3164
P7557
P7555
P7553
P2113
P7552
P7748
P116
P4265
P7628
Atom HB1 of residue 46
P2107
P4185
Atom C of residue 7
P6150
P3146
P6136
P4524
P3132
P1
P6148
P3144
P6145
P3141
P7747
P115
Atom HA of residue 23
P1935
P6144
P4532
P3140
P4253
P7607
Atom HG23 of residue 12
P7616
P1322
P7749
Atom HG12 of residue 23
P7744
Atom CG2 of residue 13
P2087
P7740
Atom HG3 of residue 11
P5938
P8436
P4520
P6132
P3128
Atom HG22 of residue 12
P8431
P4515
P3123
P2073
P6122
P3118
P4510
P6119
P4507
P3115
P4228
P12893
P7591
Atom HD21 of residue 25
Atom HG22 of residue 44
P1907
P8418
P6112
P4500
P3108
Atom C of residue 5
P8414
P3104
P6108
P4496
P6106
P3102
P4494
P5898
VAL
P4210
P4189
Atom HB of residue 13
Atom C of residue 5
P7573
Atom HD22 of residue 43
P4134
Atom HB3 of residue 2
Atom NZ of residue 11
P6098
P4486
P3094
P4406
P3014
P1977
P3026
P4418
P4047
P4415
P3023
P4055
P8335
P3025
P4417
P57
P4046
P4414
P3022
P4043
P4411
P3019
P4397
P3005
GaussianProcessInterpolationRestraint 44
P4041
P4409
P3017
P4040
P4408
P3016
P4394
P3002
P7
P4038
P3015
P4407
P4036
P4035
P4403
P3011
P4032
P4400
P3008
P3010
P4402
P4031
P4399
P3007
P3009
P4401
P77
P4030
P4398
P3006
P4029
P4013
P1
P8310
P4028
P4396
P3004
P4025
Atom HB3 of residue 74
P4393
P3001
P48
P4023
P4391
P2999
P60
P4022
P4390
P2998
P3000
P4392
P5809
P4021
P4389
P2997
P5808
P4020
P4388
P2996
P5807
P4019
P8355
P4387
P2995
P4018
P4386
P2994
P4016
P4384
P2992
Atom HG of residue 20
P6433
P1961
P1944
P2990
P4382
P8292
P4011
P4379
P2987
P8349
P2989
P4381
P4010
P4378
P2986
P6431
P2988
P4380
P4009
P4377
P2985
Atom CG of residue 60
P4008
P4376
P2984
P6949
P6
Atom CA of residue 38
P41
P4006
P4374
P2982
P2979
P1955
P4371
P4000
P6942
Atom HB3 of residue 37
P3999
P4367
P2975
P2977
P4369
P3998
P4366
P2974
P3997
P4356
P2964
P1941
P4365
P2973
P1930
P3996
P4364
P2972
P8284
P5975
Atom HB2 of residue 59
P3994
P4362
P2970
P3993
P4361
P2969
P3991
P4359
P2967
P3990
P4358
P2966
P2968
P4360
P3989
P4357
P2965
P3987
P3986
P8485
P4354
P2962
Atom O of residue 23
P8241
P3984
P4352
P2960
P2961
P4353
P3982
P4341
P2949
P1927
P4350
P2958
P1916
P3981
P4349
P2957
P3979
P4347
P2955
P2956
P4348
P3977
P4345
P2953
P2954
P4346
P3975
P4343
P2951
P3972
Atom CB of residue 58
P3969
P7337
P4337
P8469
P2945
P2947
P7339
P4339
P3968
P7336
P4336
P2944
P2946
P7338
P4338
P2521
P3967
SER
P6903
P36
P7326
P2934
P4326
P1913
P7335
P4335
P2943
P3965
P7333
P4333
P2941
P2942
P7334
P4334
P3963
P7331
P4331
P2939
P3962
P7330
P4330
P2938
P2940
P7332
P4332
P3970
P2524
P3961
P7329
P4329
P2937
P3960
P7328
P4328
P2936
P1319
P3959
P4327
P7327
P2935
P3957
P1895
P4325
P7325
P2933
P6906
Atom O of residue 57
P3955
P4323
P7323
P2931
P2932
P7324
P4324
P3953
P7321
P4321
P2929
P5726
P6426
P3950
P2928
P7320
P4320
P5725
P6425
P2505
P3949
Atom HA of residue 1
Atom CD of residue 34
P7319
P8451
P5931
P2927
P4319
P5724
P3948
1G6J_MODEL1.pdb
P3947
P5723
P7315
P4315
P2923
P3945
Atom HB2 of residue 56
P5717
P3941
P7309
P4309
P2917
P5716
P3940
P3956
P6432
P65
P3938
P5714
P3937
P5713
P3954
P6430
P1874
P5712
P5711
P3952
P6428
P3934
P3951
P6427
P5709
P3933
P7301
P4301
P2909
P3931
P7299
P4299
P2907
P3930
P3928
P3927
P3925
P3922
Atom O of residue 11
P1860
P3921
P4289
P2897
P7496
Atom HB of residue 13
P3920
P4288
P2896
P7495
P3919
P8422
P4287
P2895
P5897
P7492
P3916
P4284
P2892
P2894
P4286
P7491
P3915
P4283
P2891
P7489
P3913
P4281
P2889
P7487
P3911
P4279
P2887
Atom OD1 of residue 32
P7485
P3909
P4277
P2885
P7493
P3917
P2476
P7484
P3908
P4276
P2884
P1846
P7482
P3906
P4274
P2882
P7481
P3905
P4273
P2881
P7478
P3902
P4270
P2878
P2880
P4272
P7477
P3901
P4260
P2868
Atom HD3 of residue 29
P4269
P2877
P7475
P6375
P3899
P4267
P2875
P7472
P3896
P4264
P2872
P2874
P4266
P7471
P3895
P4263
P2871
P7470
P3894
P4262
P2870
Restraint 179
P7469
P3893
P4261
P2869
P7467
P3891
P4259
P8318
P2867
P7466
P3890
P4258
P2866
LYS
P7338
Atom O of residue 31
P2865
P4257
P3886
P4254
P2862
P7257
P7256
P2863
P4255
P3884
P2118
P4252
P2860
P5838
ListSingletonContainer180
P7335
P13539
GLN
P6359
P3883
P4251
P2859
P7476
P3900
P6376
P2861
P4253
P2444
P3882
P4250
P2858
P3881
P4249
P2857
P3880
P5857
P4248
P2856
P3878
P2111
P5855
P4246
P2854
P3877
P4245
P2853
P2852
P4244
P4241
P2849
P2851
P4243
P3872
P4240
P2848
P2850
P4242
P3871
P4227
P2835
P3
P4239
P2847
P3869
P2104
P4237
P2845
P3868
P4236
P2844
P2846
P4238
P3867
P3866
P4225
P2833
P1386
P4234
P2842
P3863
P2097
P4231
P2839
P4216
P2824
P1
P3860
P4228
P2836
P2838
P4230
P5635
P3859
P5645
Atom HB2 of residue 11
P2091
P5835
P3857
P3856
P4224
P2832
P2834
P4226
P3855
P4223
P2831
P2089
Atom HG12 of residue 13
P3854
P2090
P4222
P2830
P3853
P1382
P4221
P2829
P3852
P4220
P2828
P5830
P7303
Atom HD3 of residue 29
P3851
P4219
P2827
P2817
P4209
P1369
P3850
P4218
P2826
P3849
P4217
P2825
P2083
P3848
P3847
P4215
P2823
P3846
P4214
P2822
P3845
P4213
P2821
P3844
P4212
P2820
P3843
P4211
P2819
P2075
Atom CA of residue 4
P2818
P4210
P4195
P2803
P0
Model 48
P3839
P2076
P4207
P2815
P3838
P8375
P4206
P2814
P2816
P8376
P4208
P3837
P4205
P2813
P3836
P2802
P4194
P1355
P3835
P4203
P2811
P4202
P2810
P3831
P4199
P2807
P3830
P4198
P2806
P2808
P4200
P2396
P3829
P4197
P2805
P3827
P2400
P2061
P3824
P2062
P4192
P2800
P3832
P2399
P3823
P4191
P2799
P2801
P4193
P3822
P4190
P2798
P8529
P3821
P5598
P3820
P4188
P2796
P2795
P4187
P3816
P4184
P2792
Atom H of residue 75
OptimizerState 2
Atom HE of residue 74
P3815
P4183
P2791
P3813
P4181
P2789
P2790
P4182
P3811
P4179
P2787
P2788
P5789
P4180
P3809
P4177
P2785
P3806
P4174
P2782
P2783
P4175
P3804
P4172
P2780
P2781
P4173
P3802
P4170
P2778
Atom CB of residue 27
Atom HG3 of residue 74
P3801
P4169
P2777
P2779
P4171
P2370
P3800
P4168
P2776
P2043
P3799
P2044
P4167
P2775
P2367
P3797
P4165
P2773
P4163
P2771
P3792
P4160
P2768
P2767
P4159
P3788
P2765
P4157
P5768
P3786
P5764
P3782
P4150
P2758
P2124
P5762
P3780
P2119
P4148
P2756
P5555
P2351
P3779
P2746
P4138
P2110
P4147
P2755
P3777
P4145
P2753
Atom HD11 of residue 73
P3776
P4144
P2752
P3775
P4143
P2751
P3774
P4142
P2750
P3773
P4141
P2749
P3772
P4140
P2748
Atom CB of residue 11
P7576
P3771
P4139
P2747
Atom CD2 of residue 73
P2015
P3769
P2016
P4137
P2745
P3768
P4136
P2744
Atom O of residue 73
P4133
P2741
P2743
P4135
P2731
P4123
P2096
P3764
P4132
P2740
P7135
LEU
P3762
P4130
P2738
P3760
P4128
P2736
P3759
P4127
P2735
P3757
P4125
P2733
P8467
P3756
P4124
P2732
P8466
P2001
P3754
P2002
P4122
P2730
P3752
P4120
P2728
Atom HG2 of residue 72
P3751
Atom HB2 of residue 20
P2484
Atom CA of residue 24
P2725
P4117
P3746
P4114
P2722
P3745
P4113
P2721
P2723
P4115
P2319
P3744
P4112
P2720
P3743
P4111
P2719
P3742
P4110
P2718
P2323
P1987
P3739
P1988
P2715
P3747
P2322
P2702
GaussianProcessInterpolationRestraint 40
P3738
P2714
P3735
P2711
Atom H of residue 23
P3732
P2708
P2707
P3729
P2705
P3728
P2704
P3727
Atom HG of residue 71
P6667
P3726
P4084
P1973
P3724
P1974
P2700
ILE
Atom CD of residue 24
Atom HG23 of residue 22
P3721
P2697
P3720
P2696
P2683
P4
P2686
P2054
P3719
P3725
P6666
P2695
P3716
P2692
P8429
Atom C of residue 71
P2293
P3715
P2290
P3712
P2691
P3713
P2689
Atom N of residue 71
P2688
Model 39
P3711
P2687
P3710
P4069
P1959
P3709
P1960
P2685
P3708
P2684
P3707
Atom CA of residue 70
P3706
P2682
P3704
P2680
P3703
P2679
P3701
P2677
P3699
P8559
P2675
P3697
P8558
P2673
P4054
P1945
P2274
P3694
P2661
P2036
P1946
P2670
P3693
P2669
P2668
P3691
P2667
P3690
P2666
P3689
P2665
Atom HD11 of residue 69
P3687
P2663
P3686
P2662
P3683
P2659
P4039
P1931
P3679
P1932
P2655
P3678
P8540
P2654
P3677
P5658
P2653
P3675
P3681
P6622
P2651
P2613
P2612
P2611
P8512
P2610
P2609
P2608
P2607
P2604
P2602
Atom HG21 of residue 66
P2601
P2600
Atom HB of residue 66
P2587
ScoreState 39
P2599
P12381
P8343
P2219
P2598
P1879
P8364
P2588
P1970
P2596
P2595
P2594
P2593
P2592
P2589
P2586
P12368
P8331
P2585
P2584
P2583
P8279
P1865
P2
P1956
P2581
P3966
P3963
P2580
P5365
P2579
P2578
P2577
P2576
P2574
P2571
Atom H of residue 64
P2570
P2569
P2567
P5574
P6587
P1961
P1940
P200
P2565
P3949
P1847
P5364
P5570
P5569
P5568
P2183
P5567
P6953
P2560
P5566
P6952
P2559
P6942
P1932
P5565
P2180
P5564
P2556
P2555
P2553
P8262
P2552
P3935
Atom HD21 of residue 8
P3764
P2547
P2545
P2585
P6078
P2542
P3453
P3450
P2540
P2582
P6075
P2539
P2537
Atom HG2 of residue 37
P2535
P2534
P2532
P3094
Atom CD of residue 37
P2531
P2571
P2528
ListSingletonContainer502
P3078
P2526
P5059
P5572
P1496
Atom HD13 of residue 36
P3075
Atom HB3 of residue 4
P2523
P2522
P2518
P6666
P5052
P2517
P6011
P6046
P1798
P2513
Atom CG2 of residue 12
P2
P2512
P6014
P2552
ListSingletonContainer497
P6008
P6043
Atom N of residue 5
P2510
P1803
P3057
P2507
P1475
Atom CB of residue 1
P2505
P5037
P3
P2555
P5550
P2504
P2502
P3200
P6505
P1786
P1786
P5033
P2500
P6025
P2494
P2493
P1776
P2490
P6632
P5532
P2489
P2488
P2487
P5016
P5529
P2485
P2484
P3389
P3386
P2482
Atom HZ2 of residue 33
P2477
P3022
P1769
P5968
P2474
Atom H of residue 18
P2473
P4814
P5512
P2471
P6390
P3027
Atom HB2 of residue 33
P5066
P5054
P5509
P1752
P2467
P1759
P2464
P2461
P4787
P2460
P1742
P4784
P2457
Atom HG22 of residue 12
Atom CG of residue 2
P4984
P2456
Atom OE1 of residue 2
P2454
P2451
P6570
P2993
P2449
P6567
Atom NE2 of residue 31
P2990
P2446
P5936
P2445
P1735
P5971
P1728
P6358
P4766
P2441
Atom H of residue 31
Atom H of residue 27
Atom C of residue 10
P2438
P5487
P5032
P8190
P5020
P5475
P5961
P2436
Atom CD of residue 27
P2435
P1718
P6350
P3336
P3333
P2434
P5008
P5463
P1531
P8187
P5017
P5472
P5958
P2433
P1718
P6347
P3321
Atom C of residue 27
P3330
P2431
Atom HG22 of residue 26
P2428
P4952
P2427
P2419
P4941
Atom HB of residue 30
P5940
P2417
P2416
P193
P2413
P6319
P2410
P4731
P2
P2409
P192
P2407
P3304
P5892
P3301
P2405
Atom HZ2 of residue 29
P1684
P5438
P2961
P6538
P2958
P6535
P5435
P5417
P6517
P2940
P2401
P1691
P6532
P2955
P5432
P6514
P2937
P2398
P6307
P2395
P5423
P1680
P4909
P5908
P2388
P4906
P5905
P2385
P6496
P4702
P2383
P6798
P8438
P6293
P2382
P2378
P2377
Atom CB of residue 33
P2374
P4685
P5887
P4887
P4945
P6779
P5400
P1650
P178
P2368
P9396
P4946
P8104
P8113
P1640
P6491
P3251
P3248
P2357
P2887
P2353
GaussianProcessInterpolation61
P2350
P175
Atom HG21 of residue 26
P2347
P2345
P3234
P172
P8392
P5822
P4856
P6473
P1633
P6235
Atom HD11 of residue 56
P5855
P2340
Atom CG2 of residue 26
P8395
P2339
P2336
P5362
P4848
P1616
P4649
P7
P2335
P1623
P4646
P2332
P2330
P2329
P3219
P5807
P3216
P2328
P5841
P2327
P1606
P5804
ListSingletonContainer419
P2855
P2324
P6449
ASN
P2320
Atom HG1 of residue 55
P2316
P4823
P5823
P2311
P3198
P5820
Atom C of residue 55
P2308
P2301
P2300
P5323
P6201
P153
P1589
Atom HG23 of residue 23
P2299
Atom C of residue 104
P5321
P2297
P2823
P2295
P2820
P2292
P4596
P2287
P2285
ASN
P6409
P2284
P6406
P2281
P5788
P2279
P5752
P2278
Atom CA of residue 12
P2280
P3163
P6175
P5749
P2275
P8305
P5736
ListSingletonContainer410
GaussianProcessInterpolation60
P6168
P2273
P5292
P2271
P6165
P2270
P5289
P2268
P1555
P2266
P6388
P2265
P5770
P5
P2263
P4771
P2262
P5728
P2256
P6146
P1526
P2249
P2251
Atom HD3 of residue 33
P3131
P2245
P2241
P5738
P2234
P2229
P2228
P2227
P2290
P4799
P6198
P2224
P8298
P2223
P4537
Atom OE1 of residue 18
P2220
P2219
P4722
P0
P2738
P2218
P6111
Atom C of residue 18
P2217
P4719
P2735
P2215
P8257
P2213
ListSingletonContainer402
P5227
P2212
P1497
Atom HB2 of residue 8
Atom HG3 of residue 2
P2210
P151
P2208
P5706
P2205
P6600
P1480
P3081
P4504
P3078
P2203
P5703
P2202
P3087
P1487
P4501
P3075
P2200
LEU
P4701
VAL
P119
P2717
P2199
P6083
P2196
P2195
Covariance1DFunction 32
P1470
P2191
P2188
P5685
P2186
P1458
P2183
P2181
P5634
P25
Atom OD1 of residue 32
P2180
P2179
P2178
P6074
P1463
P2177
P2174
P3046
P4469
P3043
P2171
P8170
P5177
P6278
P2165
P1452
Atom C of residue 22
Atom N of residue 17
P2164
P1429
Atom CB of residue 54
P2163
ScoreState 26
P2162
P11432
P1436
P2160
P21
P12
P5621
P2159
Atom HA2 of residue 53
P5618
P2156
P3028
P4451
P3025
P2155
Atom NZ of residue 6
P2152
P5649
P6036
Covariance1DFunction 74
P2149
P2148
P2147
P2146
P2145
P2144
P2142
P4637
GeneralizedGuinierPorodFunction 22
P2653
P2141
P6249
GaussianProcessInterpolationRestraint 26
P2139
P4634
P2650
P2138
P1412
P6246
P6231
P5596
P7
P2136
P2135
P5631
P6018
P2133
P2130
P1402
P2127
P2996
ListSingletonContainer50
P4419
P2993
P2126
P6221
P3217
P4335
P4326
Atom CB of residue 52
P2123
P2122
P7822
P4258
P8517
P7813
P4249
P6013
P6219
Atom CB of residue 20
P7610
P3214
P13089
P7692
P2118
P3429
P4827
Atom HD2 of residue 19
P4330
P2116
P1319
P5262
P4829
P6595
P6601
P395
P4835
P5250
P2115
P3863
Atom CA of residue 57
P1399
P1398
P7306
P1397
P2110
P1396
P2109
Atom CB of residue 56
P2113
P6861
Atom HG13 of residue 30
P3412
P2103
P4827
P6593
P1389
P5248
P6581
P2102
P3410
P1388
P3389
P5235
P2101
P7761
P1394
P7297
P1848
P1387
P4820
P7749
P2100
P1384
P2097
P7291
P1844
P1383
P2096
P4836
P1382
P2095
P4818
P1380
P7842
P2093
P2099
P6846
Atom HG22 of residue 55
P2088
P5241
P3395
Atom HG21 of residue 55
P3386
P5232
P6565
P3374
P5220
P2087
P7275
P2081
P10103
P4801
Atom CB of residue 21
P10100
P4798
Atom C of residue 21
P2077
P3799
P0
Atom CD1 of residue 71
P3382
P4286
P2075
P5226
P3380
P3371
P5217
P6550
P3359
P2073
P2070
P7716
P2069
P2068
Atom CB of residue 55
P4772
Atom HB2 of residue 2
P7260
P7258
P2067
P7709
P0
P2063
P3367
P4271
P2061
P2060
P7245
P2053
Atom C of residue 19
P3799
P2052
P3476
P4757
P2047
P10058
P4751
Atom HE21 of residue 2
Atom CD1 of residue 67
P1517
P3342
Model 194
Atom HG3 of residue 18
P4246
P4236
P2038
P2037
P2036
P5665
P6629
P3114
Atom OG of residue 20
P3983
P8394
P2033
Atom HB3 of residue 4
P6616
P7137
Atom CB of residue 20
P2032
Atom CB of residue 21
Atom CD2 of residue 4
Atom HB2 of residue 19
P2027
P3605
P6101
P22
Atom O of residue 21
Atom CD1 of residue 4
P2425
P8387
Atom HA of residue 19
P2026
P3674
P2650
P7129
P3590
P2022
P12422
P2021
P2020
Atom CG of residue 16
Model 269
P2018
Atom CB of residue 16
P2017
Atom O of residue 16
Atom CG of residue 21
P2014
P6086
P7456
P154
Atom HA of residue 9
P2012
Atom HZ of residue 4
P2403
P2007
P4016
P5639
GLU
P2003
P5629
P8361
P2000
P1999
P2008
P3575
Atom CB of residue 15
Atom CA of residue 6
P6071
P5627
P1998
P7439
P1991
P1990
P3935
P1989
P1988
P3712
P1987
P8133
P3757
P1986
P7310
P4695
P2071
P6100
P6306
P4266
P1985
P6748
P1983
P2582
P1982
P4246
P1979
P1977
Atom HE21 of residue 41
P8119
P3743
P1973
P1963
P6508
Atom O of residue 6
P5996
Atom HB2 of residue 38
P1949
P1957
P5783
P5982
P1954
P1952
Atom O of residue 15
P7380
P1951
P1948
P1946
P8291
P2
P1945
Atom HB2 of residue 37
P3919
P8251
Atom HA of residue 37
P1940
P5966
P1939
P3988
P1935
P1934
P1930
P1929
P5951
P1925
P1920
P1915
P1912
P1910
P1909
P3958
P5932
P1907
P1906
P3446
P1911
P5936
P3449
P5939
P1904
P11162
Atom HD12 of residue 73
P4889
P5990
ScoreState 23
P1899
Atom HE21 of residue 2
P5453
P1897
P2016
P4448
P2368
P4437
P1889
P2008
Atom OD2 of residue 32
P1888
P2007
P5330
P8538
P8544
P5339
Atom OD1 of residue 32
P1887
P2006
P4880
P1885
P2004
P1883
P2002
P5824
P2009
P1890
P1882
P2001
P1881
P2000
P1873
P1992
P5320
P1999
P1880
P1871
P1990
P5424
Atom C of residue 24
P1997
P1878
P4422
P1994
P1875
P5961
P1865
P1984
ALA
P1991
P1872
P5409
P1864
P1983
P5406
Atom OE1 of residue 2
P1860
P1979
Atom CG2 of residue 3
P1986
P1867
P1859
Model 377
P1978
P2328
P5299
P8509
Atom CH2 of residue 108
P0
P5305
P1985
P1866
P7842
P7832
P2335
Atom HB3 of residue 2
P1981
P1862
Atom N of residue 70
P4402
Atom HG22 of residue 55
P7841
P5946
P1977
P1858
P4128
P1849
Atom N of residue 2
P1856
P1855
P4404
P5790
P1854
P7822
Atom CB of residue 29
P1846
GaussianProcessInterpolationRestraint 22
P1841
P7816
P2
P4386
P8492
P5281
P2312
P5773
P4810
P5275
P1838
Atom C of residue 50
P1837
P7807
P1833
P4377
P1825
Atom C of residue 51
P1832
P5916
P1830
P2302
Atom CG of residue 51
Atom O of residue 14
P1828
Atom CA of residue 14
Atom CB of residue 51
P1827
P7801
P4371
Atom O of residue 51
P1826
Linear1DFunction 34
P5758
P1824
P5364
P1822
P4362
P1819
P5901
P1816
P4797
P1814
P1811
P1809
P1807
P5886
P5250
P7772
P1802
P1793
Atom HZ2 of residue 11
P1800
P4339
Atom HG22 of residue 7
P1799
Atom HG22 of residue 5
P1797
Atom CA of residue 15
Model 374
P1795
P8771
P4777
P8215
P5234
P2269
P5334
P1794
P8435
P1791
P4332
P5237
P2272
P7759
P5225
P8206
P1790
P1
P8202
P1786
P4324
THR
P1785
P1783
P1782
Atom HB of residue 14
P5712
P1781
P8756
P4762
P5319
P1780
P4752
P7731
P8187
P1772
P1771
P2246
P4311
P1770
P2253
P8744
P4750
Atom H of residue 6
P1762
Atom HD2 of residue 74
Atom CA of residue 18
P1769
P5697
P1767
P2250
P8741
P4747
P5304
P1766
Atom CD of residue 6
P1765
P4018
P1764
P5195
P4302
P1763
P4740
P2233
P8175
Atom HE3 of residue 48
P1761
P1757
P4296
P1756
P1754
P2236
P7723
P5682
P1753
Atom CB of residue 66
P8726
P4732
Model 364
P5289
P1752
P1751
P8390
P4003
P1750
P5180
P4287
P1749
P4725
P8160
P1747
P1743
Atom N of residue 74
P4281
P1742
P0
P7712
P1740
P5667
P1739
P5165
P4272
P1735
P6091
P7704
P1667
Model 367
P8145
P1733
P1727
P2203
P1726
P1725
P8696
P4702
P7692
P5259
P1724
P1723
P5643
P1721
P4257
P1720
P8311
P8360
P1719
P8129
P1718
P1716
P1713
P1712
P8681
P2197
P4687
P7677
P1703
Atom CA of residue 45
P5244
P1710
P2
P1709
P1707
P4242
P5134
Atom CA of residue 7
P1706
P7674
P1705
P8114
P1704
P1699
P1698
P1697
Atom N of residue 63
P8666
P8461
P4672
P7662
P5220
Atom HA of residue 71
P5229
Atom HD22 of residue 71
P1696
P1694
P5768
Atom CG of residue 71
P1693
P4227
P7658
P5125
P2170
P1692
P8096
P1680
Atom C of residue 12
P1685
P1684
P1683
P8642
P4645
Restraint 42
P4657
P5214
GaussianProcessInterpolation50
P1682
P5605
P1681
Atom HG11 of residue 70
P8088
P3928
P4212
P1679
P1678
P4207
P7643
P8084
P1676
P4
P1674
P5746
P1671
P1670
P1669
P5589
P1664
P4192
P10896
Atom HE3 of residue 63
P7628
P8069
Atom CA of residue 70
P1662
P7622
P4632
P1660
P8066
P5577
P1659
P1656
P4627
P5184
P1654
P5574
P7594
P3898
P1652
P8289
P4182
P1651
P8288
P1650
P4177
P7610
P2132
P7613
P8054
P1648
P1646
P8051
P3892
P7588
P8282
P5562
P1645
P5715
P1642
P1808
LEU
P1641
Atom HE21 of residue 62
P4612
P5169
P1640
Atom CE1 of residue 68
P1639
P5559
Atom CD2 of residue 68
P1638
P4167
P1637
Atom HZ1 of residue 11
P1636
P4162
P7598
P8039
Atom HB of residue 14
P4
P1634
P4602
P1632
LEU
P5700
P1628
P1627
P5553
P4597
P5038
P0
P5154
P1626
P1625
P3889
P7585
P7564
P3868
P1624
P4147
P5038
P7583
P1620
P4587
P1618
P5685
P1614
P1613
P4582
P5139
P1612
P3874
P7570
P7549
P3853
P1610
P8011
P1609
P4137
P1608
P4132
P7568
P1606
Atom CA of residue 67
P1603
P4567
P1591
Atom HE1 of residue 1
P5124
P1598
P3859
P7555
Atom OE2 of residue 16
P7534
P5643
P3838
P1596
P1595
P1594
P5008
P2467
P7553
P8249
P7551
Model 345
P1592
P4557
P1590
P2
P1589
P5650
Atom HG3 of residue 64
P1583
P4100
P5651
P3844
P7540
P7519
P3823
P1582
P8346
P4549
P1574
Atom C of residue 16
P1581
P5497
Atom OG of residue 65
P1580
P7538
Atom O of residue 65
P1578
P2518
P1576
P1575
P4537
P1571
P7523
P1564
P7961
P8521
Atom O of residue 80
P1736
Atom N of residue 59
P1562
P7254
P2437
P8326
P4528
GaussianProcessInterpolationRestraint 15
P1561
Atom C of residue 14
P4075
P5473
P4
P1558
P5624
P1557
P5079
P1556
P7963
P4518
P1553
P2495
P1552
P7508
P1550
Atom CB of residue 63
P1548
P4513
Atom O of residue 63
P1547
P1542
P2992
P2989
P1541
Atom HD3 of residue 11
P1540
P5616
P6003
P1538
P1537
P4611
P2627
P1536
P1534
P5572
P1533
Atom CD1 of residue 45
P5123
P6221
P1532
P1529
P2978
P2975
P1528
P1526
P5601
P5988
P1524
P1523
P4596
P1522
Atom C of residue 33
P1521
P1520
P16
P6206
P1518
P5104
P8094
P5589
Atom HB3 of residue 32
P1517
P2963
P4386
P2960
P1514
Atom HB2 of residue 32
P5975
P8
P2599
Atom HB2 of residue 48
P1512
P6053
P2149
P8090
P1511
P1509
Atom O of residue 3
P4581
P1508
P1506
P1505
P6176
P5541
P1504
P5089
P8079
P5574
P1503
P4575
Atom HA of residue 48
P2948
P4371
P2945
P1500
P2584
P1498
P1497
P8074
P1496
P1495
P4566
P6180
P1494
P1492
P1491
P6161
P5526
P5074
P8064
P2536
P2933
P4356
P2930
P1486
P1485
P1484
P1480
P1478
P7
P4548
P4547
P1477
P1476
P1473
P1470
AngleSingletonScore5
P4540
P1469
Atom CD1 of residue 50
P1466
P1465
P5045
P2
P1463
P1459
P4526
P1457
Atom HD11 of residue 23
P1456
P1455
P2549
P2503
P1452
P1451
P1449
P1448
P8022
P7743
P5029
P6115
P5480
P5514
P1447
P5028
P8018
P1445
P4511
P1443
P2493
P1441
P1438
P1434
P8007
P5014
P6100
P5465
P5499
P1433
P1431
P4496
P1429
P1424
P1423
Atom N of residue 1
P4490
Atom CB of residue 52
P1422
P5000
Atom O of residue 52
P1421
P7992
P4999
P5484
P1419
P5455
P2470
P5449
P2858
P4281
P2855
P1416
P1415
P4481
P1414
P1413
P1410
GeneralizedGuinierPorodFunction 20
P1409
Atom HD13 of residue 3
P1407
P4984
P6085
P5469
P1405
P1404
P1401
P4466
P1400
P5854
P1399
P5466
P5853
P1398
P7967
P1396
P1395
P4460
P1394
P4969
P6070
P5454
Atom CD2 of residue 111
P1391
P1389
P2
P8412
P7450
P2437
P7244
P8411
P2436
P2841
P4233
P1379
P6810
P3349
P7230
P3343
P6804
P1378
P1377
Atom HE2 of residue 29
P6349
P1376
P3894
P5796
P2793
P8527
P1375
P4
P8526
P6773
P3312
P7193
P1374
P1373
Atom CD of residue 2
P6347
P5821
P1372
P8553
P1368
P13504
P8552
P3841
P1363
P1362
P8545
P1361
P6793
P3332
P7213
P1360
P1359
P1357
P5802
P1354
P7192
P1353
Atom HZ2 of residue 29
P7277
Atom O of residue 28
P1348
Atom HZ1 of residue 29
Atom C of residue 28
P1347
P6778
P3317
P7198
P3311
P6772
P1346
P1345
P2058
P6314
Atom CA of residue 76
P6801
P2057
P1334
P3297
P6758
P1341
P7178
P4120
P7263
Atom CB of residue 43
Atom HG2 of residue 27
P1336
P1333
P3685
P8058
P6679
Atom HD2 of residue 37
P1331
P1330
P7585
P1326
P7625
P7187
P2
P7199
P3229
P6031
P4267
P1325
P8460
P1637
P4661
P1319
P1315
P3372
P1314
P1357
P7571
P1219
Atom HD13 of residue 61
P1313
P8355
P3568
P1308
P1307
P5614
P7083
P1306
P2363
P4446
P2329
P5328
P7365
P4373
P1777
P4317
P1776
Atom C of residue 67
P8740
P8531
P4746
P7769
P3600
P6096
P5779
P5673
P7981
P2799
P6952
Atom HE1 of residue 1
Atom C of residue 29
P1844
P4033
P1320
P3716
Atom H of residue 48
Atom HA3 of residue 76
P2236
Atom HD2 of residue 48
Atom HE3 of residue 6
Atom HA2 of residue 76
P3777
P2240
P7663
Atom HB2 of residue 6
Atom H of residue 76
Atom O of residue 76
Atom C of residue 76
Atom NZ of residue 6
GLY
Atom N of residue 76
P5175
P3498
P5163
Atom HA3 of residue 75
P4668
P4220
P4771
Atom O of residue 75
Atom HG13 of residue 61
P7211
P1305
Atom CA of residue 7
P8175
P4217
P5320
P4768
GLY
P7208
P1317
P8172
Atom HH12 of residue 74
P3761
Atom CB of residue 6
P3491
P2222
Atom HH22 of residue 74
Atom HB2 of residue 46
Atom HH11 of residue 74
P7203
Restraint 161
P1278
P5149
Atom HB1 of residue 46
Atom HE of residue 74
P7643
P4759
Atom HA of residue 46
Atom HD3 of residue 74
Atom HD2 of residue 74
GaussianProcessInterpolation40
Atom HG3 of residue 74
P4654
P4206
P2233
P5309
P4757
Atom HG2 of residue 74
Atom CD of residue 16
P7197
Atom CD of residue 6
P8161
P2213
P8143
Atom HB3 of residue 74
Atom CA of residue 46
Atom HB2 of residue 74
Atom HD2 of residue 74
Atom H of residue 74
P2208
Atom NH1 of residue 74
P5150
P3473
Atom CZ of residue 74
P4663
P1427
P4198
P4186
P4651
P5137
Atom NE of residue 74
P4643
Atom CD1 of residue 58
P4195
P5298
P4746
Atom CG of residue 74
P8150
P8089
P7625
P7613
P8077
P1422
P7185
Atom O of residue 74
P3739
Atom C of residue 74
Atom OE1 of residue 40
Atom HD11 of residue 73
P4629
P8175
P4181
P5284
Atom CA of residue 45
P4732
Atom HG of residue 73
P8136
Atom O of residue 15
P7171
Atom HB2 of residue 73
P8134
Atom H of residue 73
P2191
P7609
Atom CD2 of residue 73
P1245
Atom CD1 of residue 73
P2149
P4618
P8164
P4170
P5273
Atom HA of residue 67
P4721
Atom C of residue 73
P4171
P4636
P7161
Atom CA of residue 73
P5270
Atom H of residue 44
Covariance1DFunction 55
P4718
Atom N of residue 73
Atom CG of residue 45
P8122
Atom CD1 of residue 44
Atom CG2 of residue 44
Atom HH21 of residue 72
P4166
P4631
P7156
Atom HH12 of residue 72
P7153
P4163
P4628
P5262
P7150
P4625
P4160
P7595
Atom HE of residue 72
Atom HD3 of residue 72
P1384
P3707
P4162
P4627
P7152
Atom HD2 of residue 72
P4707
P3
Atom HB3 of residue 72
P5258
P8111
P2
P3439
Atom HB of residue 66
Atom HA of residue 72
P1234
P3703
P5102
P4155
P4620
P7145
P1315
Atom H of residue 72
Atom NH2 of residue 72
P1229
P5097
P3698
P1385
P4153
P4618
P7143
P1378
Atom NH1 of residue 72
P7583
Atom CZ of residue 72
Atom NE of residue 72
P1367
P4136
P4601
Atom CD of residue 72
P4696
Atom CB of residue 72
P8100
Atom O of residue 72
ARG
P1222
P3689
P5088
Atom HD23 of residue 71
P8132
P4138
P4689
Atom HD22 of residue 71
P2285
P7129
Atom HD21 of residue 71
P4124
P4589
Atom HD13 of residue 71
P10401
P4579
P8125
P4131
P4679
Atom HE of residue 42
P3
Atom HB2 of residue 71
P10399
P4577
P4129
HIS
Atom CD2 of residue 71
P1316
P1200
Atom CD1 of residue 71
P4590
P4125
P4578
Atom CG of residue 71
P3417
P5223
P8076
P3408
P1347
P8058
Atom CA of residue 71
P1199
Atom HG3 of residue 42
Atom HZ2 of residue 11
P4668
Atom HG23 of residue 70
Atom HG22 of residue 70
P8071
P3403
P2142
P1375
P1374
P4569
P7550
Atom HG13 of residue 70
P1619
P4109
P7105
P1208
Atom HG12 of residue 70
P5214
Atom HD11 of residue 67
P7103
Atom HB of residue 70
P10382
P7543
P8007
Atom CG of residue 32
P7102
P3384
Atom HA of residue 70
P4562
Atom H of residue 70
P4657
Atom CG1 of residue 70
P8060
P5049
P3650
Atom C of residue 70
LEU
P7093
P8057
P3386
Atom HE2 of residue 1
P8039
VAL
P2249
P7089
P4546
P4643
Atom HG of residue 69
Atom HA of residue 69
Atom CG of residue 69
Atom H of residue 69
P4645
Atom CB of residue 69
Atom CD2 of residue 69
P7519
P6800
P7506
P7970
P4074
Atom O of residue 69
Atom CD1 of residue 69
Atom N of residue 44
P4632
Atom C of residue 69
P1163
P3630
P5029
P1783
P8018
Atom CA of residue 69
P10327
P475
P7071
P2547
P1784
Atom N of residue 69
P1152
Atom HD2 of residue 68
Atom HB2 of residue 43
P2
P4527
P7507
P6797
Atom HB3 of residue 33
P6788
P4062
Atom HB3 of residue 68
P3347
Atom HB2 of residue 68
P8248
P0
Atom CE1 of residue 68
P4531
P7056
Atom HE3 of residue 11
P8022
P4513
P7493
P2216
P6774
P7480
P7944
P6783
Atom N of residue 33
P4048
P1764
P3333
Atom N of residue 68
Atom HD3 of residue 38
Atom HD21 of residue 67
Atom HG of residue 67
Atom CD2 of residue 4
P4502
P7482
P6763
Atom HB2 of residue 67
P7999
Atom C of residue 38
P7981
Atom CG of residue 67
P4031
Atom CB of residue 67
P3313
Atom CA of residue 67
P4488
P7468
P6749
Atom HZ3 of residue 27
P7919
P1406
P2
Atom HG22 of residue 66
P3308
Atom HG21 of residue 66
Atom HG1 of residue 66
P4581
Atom HA of residue 66
P4
Atom H of residue 66
Atom CG2 of residue 66
P4472
P7452
P6733
P1993
P7903
P5397
P4007
Atom HB3 of residue 65
P10277
Atom HG13 of residue 30
P4567
Atom HA of residue 65
Atom HG12 of residue 30
P7971
Atom CA of residue 41
Atom H of residue 65
P2007
P7444
P4442
P6726
P4451
Atom H of residue 30
P4481
P5115
Atom O of residue 65
P7443
Atom HA of residue 27
P7002
Atom CG2 of residue 36
Atom CA of residue 65
SER
P5094
P4460
P7440
P2168
P7891
Atom HB2 of residue 40
Atom HG3 of residue 64
Atom HA of residue 40
P3280
Atom HG2 of residue 64
P6997
Atom HB3 of residue 64
Atom HZ2 of residue 29
PairPredicate 11
Atom OE2 of residue 64
Atom HZ1 of residue 29
P3546
Atom CB of residue 23
Atom OE1 of residue 64
P446
Atom HE3 of residue 29
P3987
P0
P7954
P7936
Atom HD2 of residue 11
Atom CD of residue 64
P5083
P4449
P7429
P7880
Atom CB of residue 64
P3269
Atom O of residue 64
Atom C of residue 64
P1968
P7414
Atom HG2 of residue 29
P3266
GLU
Atom N of residue 64
P6978
P6976
Atom CD of residue 34
Atom HD3 of residue 63
P4435
P5069
P7415
P3970
Atom HG3 of residue 63
Atom HB3 of residue 63
Atom NZ of residue 63
P3962
P4524
Atom CD of residue 63
P3959
Atom CB of residue 63
P3244
Atom O of residue 63
Atom C of residue 63
P0
P3241
LYS
P1697
P6958
Atom N of residue 63
Atom HE22 of residue 62
P3236
Atom HH22 of residue 74
Atom HE21 of residue 62
Atom HG3 of residue 62
P3950
Atom HG2 of residue 62
P4426
P7406
P1690
P5060
P6949
P7391
P1676
P4411
Atom H of residue 62
P2035
P6948
Atom CD1 of residue 3
P2033
P3228
P1666
Atom CG of residue 62
P1890
P5035
P4401
P7381
P3936
Atom CA of residue 62
Atom HG21 of residue 61
P4497
Atom CZ of residue 74
Atom HB2 of residue 15
Atom HG13 of residue 61
Atom CD of residue 74
P3484
Atom N of residue 74
Atom HG12 of residue 61
P3922
Atom H of residue 61
Atom CG2 of residue 61
P3475
Atom CG1 of residue 61
Atom CB of residue 61
P3901
Atom O of residue 61
Atom CA of residue 61
Atom HB3 of residue 60
Atom HB2 of residue 60
Atom HA of residue 60
P4382
P5016
P7869
P4367
P7851
Atom H of residue 60
Atom NH1 of residue 42
P3899
P6903
Atom HH21 of residue 74
P4860
Atom OD1 of residue 60
P3452
P6869
P3172
P4449
P4868
Atom HD1 of residue 59
Atom O of residue 2
P7330
P5000
Atom HB3 of residue 59
P3445
P4834
P3436
Atom HB2 of residue 59
Atom CB of residue 28
P1607
Atom C of residue 29
P4357
P4991
P7844
Atom O of residue 28
P4970
P4336
P1606
Atom NE of residue 72
P4976
P4342
P0
P7826
Atom CD2 of residue 59
P7319
Atom O of residue 16
P3437
P4835
P4832
P3434
Atom C of residue 59
Atom CA of residue 59
GridCPF
Atom N of residue 59
P6871
Atom HB3 of residue 58
P7297
Atom CB of residue 71
Atom CG of residue 1
P4343
P4977
P7830
P4962
Atom HD12 of residue 30
P4328
P7812
P4813
Atom OD2 of residue 58
P7305
P1585
Atom CA of residue 71
Atom C of residue 58
P7814
P4815
Atom HB2 of residue 4
P3420
P3854
Atom CA of residue 58
Atom N of residue 58
P6857
P1584
Atom HG of residue 57
Atom HG21 of residue 70
Atom HB3 of residue 57
P3851
Atom HB2 of residue 57
Atom H of residue 57
P1625
Atom OG of residue 57
P2352
Atom N of residue 57
Atom HD23 of residue 56
Atom HD22 of residue 56
P1635
P2877
Atom HD13 of residue 56
P1631
Atom HB3 of residue 56
Atom HA of residue 56
Atom CD2 of residue 56
Atom CD1 of residue 56
P2866
Atom CG of residue 56
ListSingletonContainer423
P5354
Atom HG21 of residue 55
P1610
P4833
Atom HA of residue 55
P4634
P4631
P161
Atom H of residue 55
P2312
Atom CG2 of residue 55
P2774
P6221
P2317
Atom OG1 of residue 55
P2313
P8470
P3205
P6441
Atom HH22 of residue 54
Atom CG of residue 103
P2837
P158
Atom HH21 of residue 54
Atom HD3 of residue 54
P3196
P3189
P2825
Atom NE of residue 54
P4802
Atom O of residue 54
P4474
Atom HA3 of residue 53
P2847
P4270
P2835
Atom H of residue 53
P4461
Atom O of residue 53
Atom CE2 of residue 111
Model 385
P4458
GLY
P5428
Atom HB2 of residue 52
P4974
Atom HA of residue 52
Atom CG of residue 52
P1428
P4499
P1426
P1420
Atom C of residue 52
P2479
Atom CA of residue 52
Atom HB2 of residue 20
ASP
Atom N of residue 52
P6350
Atom HG3 of residue 51
P117
P2891
P5886
P1792
P5170
Atom CG of residue 51
P5372
P8537
P6342
P1791
P6339
Atom CB of residue 51
P3390
P2281
P5041
Atom HE1 of residue 45
P5029
Atom HG23 of residue 3
P3
Atom HD23 of residue 50
P2741
P6846
P1657
GLU
P1656
Atom HG of residue 50
P1468
Atom H of residue 50
Atom CD2 of residue 50
Atom CB of residue 50
P5376
P1324
P1843
P4829
Atom O of residue 5
Atom HB2 of residue 51
Atom N of residue 28
P5763
Atom CA of residue 50
P8483
LEU
P4820
P5277
Atom N of residue 50
P1838
P1836
P7507
P8787
P1575
P4793
P1835
Atom HG2 of residue 49
P4351
P8456
Atom HG2 of residue 16
P8225
P6152
P4260
P7614
Atom O of residue 49
P4257
P7611
GLN
Atom HZ3 of residue 48
GLY
P6172
Atom HE3 of residue 48
Atom HE2 of residue 48
P12937
Atom HD3 of residue 48
P3681
P6168
Atom HG3 of residue 48
P8478
P2601
Atom HG2 of residue 48
P5097
P8477
Atom HB3 of residue 48
P4383
P1353
Atom NZ of residue 48
Atom CG of residue 48
GeneralizedGuinierPorodFunction 23
P4697
Atom HG3 of residue 16
P2715
LYS
P8201
ListSingletonContainer583
Atom N of residue 48
P5661
P4687
P2187
Atom HA3 of residue 47
P2192
Atom HA2 of residue 47
P2802
GLY
P2204
P9143
P5149
P9159
P2805
Atom O of residue 47
P2800
Atom HB3 of residue 46
P5145
Atom HG12 of residue 17
P4627
Atom H of residue 46
P5138
P7855
P8123
Atom CB of residue 46
P6518
ALA
P2788
Atom HZ of residue 45
P1405
P1539
P4615
Atom HB3 of residue 45
P9113
Atom HB2 of residue 45
P5124
P6078
P8298
Atom CE1 of residue 45
P5565
Atom CB of residue 45
P9102
Atom O of residue 45
P5563
Atom C of residue 45
P8184
P5191
P7908
Atom CA of residue 45
P2620
P8173
Atom HD13 of residue 44
Atom HD12 of residue 44
P7296
P4681
P6086
P6292
P4252
P1972
P1970
Atom HG22 of residue 44
P1968
P132
Atom H of residue 41
P8113
P2575
P3737
P1
P7752
P1967
Atom HG12 of residue 44
Atom N of residue 56
P4244
Atom HA of residue 44
P2579
Atom HB3 of residue 40
Atom CG2 of residue 44
P3726
Atom OE1 of residue 40
Atom CB of residue 44
ILE
Atom CD of residue 40
P7750
Atom O of residue 44
Atom CB of residue 40
Atom CA of residue 44
P7747
Atom CB of residue 54
P4232
Atom HD23 of residue 43
Atom CA of residue 40
Atom HD13 of residue 43
P3712
ListSingletonContainer325
Atom HB3 of residue 43
P3710
P8083
P6704
Atom HA of residue 43
Atom H of residue 43
P7223
Atom CD1 of residue 43
Atom CG of residue 43
P7646
P7220
P3250
P2811
Atom C of residue 37
Atom CA of residue 43
P7253
P4638
P6043
P6249
P4360
P4339
Atom HH21 of residue 42
P7639
P7213
P3243
P2804
P116
P6228
Atom HH12 of residue 42
P6691
P8070
P3694
P8067
LEU
P6688
Atom HH11 of residue 42
Atom HE of residue 42
P7635
P3239
P2800
Atom HD2 of residue 42
P2796
Atom HG3 of residue 42
Atom HG2 of residue 42
Atom HB3 of residue 42
P8160
P4370
Atom HA of residue 42
Atom H of residue 42
Atom NH1 of residue 42
P2523
P2686
Atom CZ of residue 42
Atom NE of residue 42
P5221
Atom CA of residue 42
P7190
ListSingletonContainer288
ARG
ListSingletonContainer363
Atom HB3 of residue 41
P6663
Atom HG3 of residue 41
Atom HA of residue 41
Atom H of residue 36
Atom CG of residue 41
P12989
P4168
Atom C of residue 41
P6652
P6000
P7800
P4236
P6206
P7603
Atom C of residue 21
P3201
P13077
Atom HG2 of residue 49
P2762
P4311
P5993
P6199
P7590
P3194
Atom HA of residue 40
P5991
P7791
P4227
P6197
P7588
P3192
Atom OE1 of residue 40
P12254
P6431
P2506
Atom CG of residue 40
Atom CB of residue 40
P2323
P6421
P6942
Atom C of residue 40
P3644
Atom HB3 of residue 39
P3805
Atom HB2 of residue 39
P3642
Atom HA of residue 39
P3801
Atom OD1 of residue 39
P2320
P5525
P2987
Atom CG of residue 39
P8262
P5978
Model 232
P3412
P7363
Atom CB of residue 39
Atom O of residue 39
ASP
P2488
P6924
Atom HD3 of residue 38
Atom HD2 of residue 38
P8257
P2483
P5968
P12219
P2474
Atom HA of residue 38
P2300
Atom CD of residue 38
P9968
P8266
P7345
P2479
P7348
ListSingletonContainer242
Atom CG of residue 38
P7332
ListSingletonContainer237
P6393
Atom CB of residue 38
P3619
P6913
Atom O of residue 38
P3616
P6910
PRO
Atom N of residue 38
P7341
P2292
Atom HD3 of residue 37
P5511
P3372
Atom HB3 of residue 37
P2287
P12204
Atom HB2 of residue 37
P2957
P3773
Atom HA of residue 37
P3382
Atom CD of residue 37
P3605
P6899
Atom CG of residue 37
P137
P2283
Atom CB of residue 37
P3769
Atom O of residue 37
P3806
Atom CA of residue 37
PRO
ListSingletonContainer238
P5499
Restraint 132
Model 221
P2450
Atom HD12 of residue 36
P7319
Atom HG21 of residue 36
P3591
P6364
P6885
Atom HG13 of residue 36
P5932
P3757
Atom HG12 of residue 36
Atom HB of residue 36
Atom HA of residue 36
P7013
P6377
SingletonScore 3
P1829
P5413
P3752
Atom CG2 of residue 36
P2
P6891
P3359
Atom CG1 of residue 36
ListSingletonContainer204
Atom HG2 of residue 24
Atom CB of residue 36
P12756
Atom HA3 of residue 35
P5965
P3428
P8426
Atom CD of residue 24
P5974
P6430
P3437
Atom HA2 of residue 35
P2983
P4375
P4004
P4372
P2980
P3920
Atom O of residue 35
ListSingletonContainer340
Atom CA of residue 40
Atom C of residue 35
P8419
Atom HG3 of residue 37
P8255
P12755
Atom HG2 of residue 37
Atom N of residue 35
ListSingletonContainer205
P5978
Atom H of residue 39
P7451
Atom HB3 of residue 34
Atom OD2 of residue 39
Atom HB2 of residue 34
P2971
Atom HG3 of residue 24
P4072
P4069
P2968
P6419
P7798
P7795
P6416
Atom H of residue 34
P5295
P2810
Atom H of residue 42
Atom OE2 of residue 34
P3158
Atom CB of residue 34
P5742
Atom O of residue 34
P4575
Atom C of residue 34
GLU
P4572
Atom N of residue 34
P2788
Atom HZ2 of residue 33
P6384
Atom HE3 of residue 33
P3143
Atom HG3 of residue 33
P6154
Atom HG2 of residue 33
P4561
P2255
Atom HB3 of residue 33
P6373
P5271
MovedSingletonContainer4
Atom CB of residue 42
P2252
ListSingletonContainer409
P8297
Atom HA of residue 20
Atom CG of residue 33
P6143
P2246
Atom O of residue 33
P5716
Atom C of residue 33
Atom CA of residue 33
P6140
P5713
P2235
P4740
P5253
P4550
Atom HG23 of residue 9
Atom CG of residue 32
Atom CB of residue 32
P5735
P2231
P6129
Atom O of residue 32
Atom C of residue 32
P8274
ASP
P8272
Atom HE22 of residue 31
Atom C of residue 9
P4728
P4797
P6196
Atom HB3 of residue 31
P5239
Atom HA of residue 31
P5689
P6317
P2740
Atom OE1 of residue 31
Atom CD of residue 31
Atom CG of residue 31
P7765
Atom CB of residue 31
Atom O of residue 31
Atom CA of residue 31
GLN
Atom HD11 of residue 30
Atom CD1 of residue 30
P6853
P5690
P7273
Atom CG1 of residue 30
Atom CB of residue 30
P5882
Atom C of residue 30
P7479
P3903
P4271
P2879
Atom HZ2 of residue 29
P7276
P5687
P6850
Atom HE3 of residue 29
P6839
P5676
P8316
Atom HG3 of residue 29
P7468
P3892
Atom HA of residue 29
P5870
P1835
P5873
Atom CE of residue 29
P5665
Atom CB of residue 29
Atom O of residue 29
P13538
Atom N of residue 31
Atom CA of residue 29
LYS
Atom HB3 of residue 28
Atom HB2 of residue 28
P8317
P6372
Atom HA of residue 28
P2855
P4247
P3885
P2447
P3876
Atom O of residue 28
P5849
P7233
Atom C of residue 28
Atom CB of residue 72
P3443
P6631
P4347
Atom HZ2 of residue 27
P1887
P4863
ASP
P4851
Atom CG of residue 24
P5279
P1870
Atom N of residue 24
P6612
P5267
Atom HZ1 of residue 27
Atom N of residue 21
Atom CB of residue 24
P3882
Atom HE3 of residue 27
Atom HD3 of residue 27
Atom HD2 of residue 74
P7766
P7302
P396
Atom HG3 of residue 27
P1745
P6881
P6884
Atom HG2 of residue 27
Atom HB2 of residue 27
P6557
P5457
P2980
Atom NZ of residue 27
P1727
Atom CB of residue 27
P1726
P5922
Atom O of residue 27
P1545
P5478
P5023
P8181
P5011
P5466
P199
Atom CA of residue 27
P1711
P5919
P4945
LYS
P6344
P4949
P11723
P1708
P2424
P1707
Atom HG21 of residue 26
P4748
Atom HG13 of residue 26
P2982
P6559
P6556
P2979
P5456
P1704
P2985
P6562
P5441
P6541
P2964
Atom HG11 of residue 26
P2683
Atom HD23 of residue 15
P4237
P188
P2678
P2676
P3119
P6123
P4511
P4508
P6120
P3116
P3872
Atom CG of residue 25
P7318
P7306
P7770
Atom CB of residue 25
LYS
Atom CA of residue 25
Atom HG3 of residue 24
P2772
P4164
P3793
P2037
P4161
P2769
Atom HG2 of residue 24
Atom OE1 of residue 24
P2403
P4926
P3298
P2402
P2965
P5442
P6542
P6539
P2962
ListSingletonContainer571
P5439
P6521
P8450
P2944
Atom CG of residue 24
P4529
P4522
Atom C of residue 24
P8026
P2511
Atom CA of residue 24
P5039
P2
P5917
Atom HD13 of residue 23
P2508
Atom HD12 of residue 23
P4523
Atom HG23 of residue 23
P5897
Atom HG13 of residue 23
Atom HG12 of residue 23
P2894
P4317
P2882
Atom HB of residue 23
Atom HA of residue 23
Atom H of residue 23
P5905
Atom CD1 of residue 23
P8153
P6774
Atom HG21 of residue 5
P3328
P6830
P4366
Atom CA of residue 23
P8233
P5479
P8216
Atom HG1 of residue 22
P8215
P6326
Atom HB of residue 22
P4766
P5221
Atom H of residue 8
Atom HA of residue 22
P68
P6748
P6510
Atom H of residue 22
Atom CG2 of residue 22
P3
Atom CB of residue 22
P6753
P3741
ScoreState 36
P5364
P6756
P3744
Atom C of residue 53
Atom CG of residue 21
P7242
P4627
P6238
P13019
P4198
Atom CB of residue 21
P5939
P5942
Atom C of residue 21
P4536
Atom CA of residue 21
Atom HG22 of residue 3
P3659
Atom N of residue 21
P8446
Atom HG of residue 20
P2693
P1932
P113
P7107
P2672
Atom HB2 of residue 20
P3226
P6028
P4264
Atom OG of residue 20
P6745
P3224
P6026
P4262
Atom O of residue 20
Atom C of residue 20
P6742
Atom HD2 of residue 19
P5027
Atom HA of residue 19
P6416
Atom CD of residue 19
P1461
P5022
P5535
P6634
P5534
Atom O of residue 19
Atom C of residue 19
P3185
P1772
Atom CA of residue 19
PRO
P1458
Atom N of residue 19
P1456
Atom HG2 of residue 18
Atom HB3 of residue 18
P1454
P4808
P1453
Atom HA of residue 18
Atom OE1 of residue 18
P2469
Atom CG of residue 18
P3023
Atom C of residue 18
Atom N of residue 18
P5641
P1420
P6028
Atom HG13 of residue 17
P4648
P1426
Atom HB of residue 17
P2708
Atom HA of residue 17
Atom CG2 of residue 17
P4474
P3039
Atom O of residue 17
P8178
P5185
P8560
Atom C of residue 17
Atom CA of residue 17
P3057
P1459
P3048
P4471
P3036
VAL
P1446
P5182
P5625
P42
Atom HB3 of residue 16
Atom HA of residue 16
P8234
P4576
P3
P2429
P2902
Atom C of residue 16
P6780
P3768
P2899
P5386
P6347
P6338
P2421
P5329
Atom HB3 of residue 15
Atom HA of residue 15
P2698
Atom HD21 of residue 43
Atom CD2 of residue 15
Atom CD1 of residue 15
P3436
P5973
P6429
P144
Atom HD2 of residue 38
P2553
Atom CD of residue 6
Atom C of residue 15
Atom CA of residue 15
P8465
P7773
P2285
P4081
Atom HG23 of residue 14
Atom OE2 of residue 16
Model 159
P7812
P1
P4093
P1834
P3014
Atom C of residue 14
THR
Atom HA of residue 44
P6114
Atom HD13 of residue 13
Atom HG23 of residue 13
Atom HG21 of residue 13
P8453
Atom HG12 of residue 13
Restraint 113
Atom CG2 of residue 13
P1491
P8223
GaussianProcessInterpolationRestraint 27
P1492
P2216
Atom CG1 of residue 13
P2362
P1656
Atom O of residue 13
P8420
Atom CA of residue 13
P3337
P4375
ILE
Atom N of residue 13
P4694
Atom HA of residue 12
P7777
P8162
P6822
P1849
P3376
THR
Atom HE3 of residue 11
P2681
Atom CD2 of residue 50
Atom HD3 of residue 11
P9192
P2239
P1451
Atom HD2 of residue 11
P13007
P4186
Atom HB3 of residue 11
P6164
Atom HB2 of residue 11
P1755
P5953
Atom NZ of residue 11
P2658
Atom CE of residue 11
P2188
P5132
P5135
Atom N of residue 11
P75
Atom C of residue 10
P6832
P3371
P7252
P3365
P9
P6826
Atom CA of residue 32
P3307
P3301
Atom CA of residue 10
Atom N of residue 10
P3341
P3339
P2048
Atom HG1 of residue 9
P3340
P7237
P1
Atom HB of residue 9
Atom HA of residue 9
P7677
Atom HB of residue 14
P3772
Atom C of residue 9
THR
P7214
Atom HD23 of residue 8
Atom HD22 of residue 8
Atom HD13 of residue 8
P1639
Atom HB3 of residue 8
Atom HA of residue 44
P7199
P1630
Atom CB of residue 8
P7757
P8142
P7753
P8138
P7752
P8137
P2134
P7746
P8131
Atom HG22 of residue 7
P1485
Atom H of residue 75
P7185
P6738
P7743
P8128
P6733
THR
P6729
Atom HZ2 of residue 6
P7727
Atom HZ1 of residue 6
P3263
Atom HE2 of residue 6
Atom HB3 of residue 6
P7717
Atom HB2 of residue 6
Atom HA of residue 6
Atom CE of residue 6
Atom CB of residue 6
Atom O of residue 6
LYS
Atom N of residue 6
Atom HG13 of residue 5
P3072
P4464
P6076
P3075
P4467
P6079
Atom HG12 of residue 5
P7337
P4722
P7722
P6321
Atom HB of residue 5
Atom CB of residue 5
P2557
Atom CA of residue 5
Atom HZ of residue 4
P2884
P6127
Atom HE1 of residue 4
P7
P5198
P6368
Atom HD2 of residue 4
P6563
Atom HD1 of residue 4
P4876
P5082
P5595
P3140
P5153
P1647
P2146
P6050
GeneralizedGuinierPorodFunction 28
Atom O of residue 4
P7444
Atom C of residue 4
P6337
Atom CA of residue 4
Atom CD of residue 42
P6990
P6987
PHE
Atom HD13 of residue 3
Atom N of residue 8
Atom O of residue 43
P7053
Atom HD12 of residue 3
P12103
P2369
Atom HG23 of residue 3
Atom HG22 of residue 3
Atom HG13 of residue 3
P6051
Atom HG12 of residue 3
Atom HA of residue 3
Atom H of residue 3
Atom HA of residue 8
P2737
Atom C of residue 3
P1529
Atom HE21 of residue 2
P2650
P2629
Atom HG2 of residue 2
P6381
P5507
P6607
Atom O of residue 2
Atom NH2 of residue 114
P5760
GLN
Atom N of residue 14
P6109
Atom CD1 of residue 44
P8558
Atom HE1 of residue 45
P2668
Atom C of residue 14
P12879
Atom HE3 of residue 1
P2789
P7197
GLU
Covariance1DFunction 95
Atom HG3 of residue 1
P6521
P6509
Atom O of residue 46
Atom HG2 of residue 1
Atom HB3 of residue 1
P2143
Atom HA of residue 1
P1368
P3004
P7818
Atom CE of residue 1
P5556
Atom SD of residue 1
P7558
P5972
P8468
Atom C of residue 1
Atom HZ3 of residue 48
P6607
P3162
P5197
P6367
1G6J_MODEL1.pdb
Atom N of residue 1
P8468
P5359
PairScore 5
P8563
P7309
P3588
PairsRestraint 4
P7737
P3585
Atom N of residue 27
MovedSingletonContainer2
P4867
ClosePairContainer
P1587
P5068
P5056
P5511
PairPredicate 2
bonded
Atom CG2 of residue 55
P5301
P1558
SingletonScore 5
P4814
P4350
P4338
UnaryFunction9
Atom HA of residue 32
P4496
UnaryFunction8
P4921
P5882
P6816
P8562
P5431
P2862
P8560
P11677
P466
P8557
P2456
P8555
P2454
P8553
P6799
P8546
P2844
P8544
P4956
P8542
P2908
P2372
P9398
P8535
P2834
P8533
P8530
P9406
P3053
P3050
P2431
P6781
P4682
P5884
P4884
P1657
P2365
P1645
P6354
P8528
P8527
P6773
P5394
P8526
P8525
P2423
P8521
P9381
P8519
P5390
P6769
P6766
P5387
P8518
P1872
P2816
P8517
P6337
P8512
P3242
P5830
P4864
P2810
P8511
P6757
P5378
P8510
P1629
P6755
P5376
P8509
P9370
P8508
P1636
Atom HD21 of residue 56
P8504
P9362
P8500
P9360
P8499
P3228
P5816
P4850
P2401
P8498
P8496
P8493
P8492
P2788
P5358
P6462
P4868
Atom O of residue 56
P8491
P1610
P8490
P5357
P5801
P8489
P8070
P8488
P8486
P2780
P8482
P2377
P5350
P8483
P2374
P8481
Model 190
P6302
P4830
P4903
P2999
P8477
P8476
P1830
P2771
P6720
P5341
P6218
P2314
P8475
P5017
P3618
P3616
P8472
P2226
P8471
P10328
Atom CD of residue 33
P7060
P1577
P6778
P8464
P4052
P5005
P3606
P2547
P3604
P8460
P8458
P2767
P8456
P8457
P4821
P2310
P3200
P2765
P8455
P6212
Atom HE of residue 54
P8453
P4818
P1586
P8452
P2304
P8450
P8449
P5775
P8448
P8447
P6202
P6199
P4820
P5326
P8446
P8442
P8439
P2357
P8438
P1570
P2745
P9308
P4856
P8436
P1568
P11572
P3201
P1567
P2966
P1811
P5312
P2951
P8433
P1566
P6282
P1324
P6267
P8432
P4
P8430
P1563
P8428
P2960
P1306
P4848
P5306
P1562
P8427
P2959
P1383
P5305
P2944
P8426
P8425
P8424
P2343
P8423
P3190
P2726
P6678
P9287
P8416
P2947
P5293
P8414
P8413
P8412
P9281
P8410
P1378
P4842
P8409
P4840
P5724
P1543
P8408
P1542
P8407
P4772
P2264
P8406
P8402
P8401
P5274
P2913
P8397
P6229
P8396
P8395
P2312
P5715
P6224
P8391
P8390
P9252
P8382
P9250
P8381
P5256
P8379
P9246
P8376
P137
P5249
P8375
P2903
P2888
P8373
P4801
P6200
P6203
P1504
Atom HB2 of residue 18
P2226
P8369
P8380
P4800
P6199
P8367
P8364
P2866
P1473
P7926
P8360
P8359
P2194
P8358
P5216
P4761
P8353
P5198
P8348
P8346
P8344
P8342
P7905
P7914
P1454
P11380
Atom ND2 of residue 46
Model 167
P8341
P3087
P2610
P7894
P8330
P8171
P5178
P6560
P8328
Atom CA of residue 13
P8169
P5176
P6558
P8327
P8326
P8324
P2225
P8323
P6552
Atom HG22 of residue 9
P8321
Atom N of residue 53
P2593
P8316
Atom CE of residue 6
P2151
P7876
P8312
P8311
P8151
P5158
P2206
P6540
P1424
P0
P8309
P8149
P5156
P2211
P6538
P8308
P2657
Atom C of residue 11
P6108
P8304
P7866
P5150
P8303
P4704
P8297
P3048
P6102
P8296
P8295
P5143
P4624
P8130
P1404
P5579
P2566
P7851
P8286
P7849
P8285
P6515
P5570
P1399
P2786
P2771
P8282
P2784
P2546
P7843
P8279
P1391
P6082
P9119
P8277
P5125
P8276
P6507
Atom H of residue 45
P2777
P6075
P8494
P1530
P4605
P5566
P5564
P1385
P8267
P7811
P8266
P9089
P8265
P2764
Atom CA of residue 25
P4666
P3020
P8256
P1378
Atom HZ1 of residue 11
P1335
P5557
P1519
P8259
P6469
P5086
P8250
P8084
P8248
P4632
P8243
P8081
P8078
P8242
P2740
P8240
P8238
P8070
P8235
P8073
Atom CB of residue 12
P8236
P2733
P1348
P319
P7794
P8234
P1864
P1871
P7910
Atom CD of residue 62
P7826
P3435
P4482
P2552
P4473
P8233
Covariance1DFunction 34
P5317
Atom CA of residue 45
P5728
P5302
P8231
P5300
P1564
P8229
P5299
P8228
P5295
P8224
P7763
P2265
P1558
P5294
P8223
P5293
P5292
P8221
P7778
P8219
P8212
P4765
P4317
P3862
P8202
P8211
P4764
P4316
P3861
P5235
P5234
P8174
P4727
P7710
P5233
P5232
P5231
Atom CA of residue 42
P8171
P4724
P7707
P5230
P5228
P5225
P4267
P1493
P5224
P7689
P4706
P8153
P2230
P5222
P5219
Atom HD12 of residue 43
P5216
P4709
P8156
P7692
P5215
P5214
P5213
P7686
P8150
P4703
P4255
P1310
P1425
P7637
P0
P8088
P8024
P6838
Atom CB of residue 42
P10374
P7999
P7535
P4091
Atom HG3 of residue 41
P3645
P1180
P5035
P3636
Atom HD13 of residue 69
Atom H of residue 31
P6807
P4081
P7513
P7977
Atom O of residue 31
P7972
P4071
P6795
P4069
P7501
P7965
P7974
P7510
P4066
P6792
P7962
P10330
Atom NZ of residue 33
P6804
Atom H of residue 30
P4057
P4056
P4055
P7487
P7951
P4051
P6777
Atom H of residue 32
P6769
P4043
P6768
P4042
P6762
P7927
P6755
P4029
P7925
P4012
P5402
P5399
P4009
P6735
P1995
Atom HG21 of residue 30
P7905
Atom O of residue 64
P6732
P7902
Atom CG1 of residue 30
P5383
P3993
P7889
P443
P7887
P2152
P6994
P7886
P6993
P2149
P6991
Atom CD of residue 63
Atom HG2 of residue 62
P6986
Atom HD1 of residue 4
P6989
P6988
Atom C of residue 129
P3
P6985
P10252
Atom HB3 of residue 29
P6984
P6983
Atom H of residue 29
P7873
Atom CD of residue 24
P6946
P2034
P7838
P5340
Atom CG1 of residue 61
P7373
Atom H of residue 27
P4907
P7836
P4906
P7835
P4904
P7940
Atom HB of residue 12
P1459
P4903
P423
P4902
P4915
Atom HD13 of residue 23
P4900
P4898
P3487
P5322
P7825
P3450
P10165
P7790
P3449
P10164
P7789
P3447
P10162
P7787
P3446
Atom HB2 of residue 24
P10161
P7786
P3445
Atom NH1 of residue 72
Atom HD2 of residue 59
P3443
P10158
P1878
P7783
Atom OD1 of residue 58
P6889
P10156
P1882
P7781
P6885
Atom HH11 of residue 74
P6888
Atom CA of residue 21
P3440
P1416
P10155
P7780
P3439
P10154
P7779
P6886
P3438
P4847
P10153
P7778
P6883
Atom CE2 of residue 59
P3435
P10150
P7775
P6882
P3434
P7894
ASP
P10149
P7774
P7756
P7292
P1839
P4816
Atom HB2 of residue 42
P7744
P3847
P7743
P6850
Atom CG1 of residue 70
P3404
P3832
P7289
P3403
P7741
P7848
P2094
P7740
P7739
P3400
P2092
P7738
P3399
Atom N of residue 22
P7737
Atom HB3 of residue 71
P3398
P4808
P7736
P2
P3397
Atom HG23 of residue 55
P4301
P2089
P7735
P2095
Atom H of residue 2
Atom HA of residue 71
P3396
P1709
P7734
P3394
P2084
P7732
P10104
P4802
Atom CA of residue 17
P1362
P7729
P7728
Atom C of residue 55
P6834
P3826
P2079
P7724
P7723
P8220
Atom N of residue 21
P7721
Atom HB3 of residue 20
P3828
P8219
Model 94
P7720
Atom CG2 of residue 17
P2074
P7719
P7717
P380
VAL
P7715
P1352
P7714
P1817
P7713
P6817
P10085
Atom N of residue 20
P3371
P7710
P1672
P5202
P1679
P2
P8201
P4255
P7702
Atom HG1 of residue 12
P7696
P7694
Atom H of residue 53
Atom HG2 of residue 18
P7692
P7691
P2
P4106
Atom CD1 of residue 15
P7232
Atom HG21 of residue 12
P3343
P7680
P7687
P2827
P7678
P7676
P6706
P4663
Atom HD12 of residue 8
P4165
P7147
P8097
1G6J_MODEL1.pdb
P7671
P6705
P2129
P4662
P4164
P7146
P8096
P7670
P2079
P4658
LYS
P4160
P7142
P8092
P7666
LEU
P6699
P4656
P4158
P7140
P8090
P7664
P6489
P6695
P4652
P4154
P7136
P2074
P7660
Atom CA of residue 22
P6488
P6694
P8094
P1571
P7659
Atom HG21 of residue 5
P7657
Atom HA of residue 74
P8161
P7689
Atom HG22 of residue 5
Atom HA of residue 13
P8082
P7656
P8160
P7131
P7655
P8159
P7130
P8080
P7654
P8158
P7129
P2080
P8079
P7653
P8156
P7127
P1764
Atom HG21 of residue 13
P8077
P347
P7651
P2095
Atom NE of residue 74
P8154
Atom CB of residue 62
P7125
P8075
Atom O of residue 13
P1808
P7649
P8153
P8074
P7184
P7648
P8151
P7122
P8072
Atom C of residue 74
P8150
P7121
P8071
P340
P8149
P7120
P8070
P2059
P7644
P2081
P2088
P8148
P7119
P8078
P1556
P8063
P1542
P1940
Atom HD2 of residue 45
P8069
P7643
P8146
P7117
P8067
P7641
P8145
P7116
P8066
P7640
P8144
P7115
P8065
P7639
P8143
Atom HG22 of residue 61
P7114
P2066
P8064
P7638
P8141
P8062
P7636
Atom CG2 of residue 7
Model 297
Atom HG12 of residue 61
P7111
P8061
P7635
P7110
P8060
Atom HG3 of residue 11
P1794
P7634
P8138
Atom HA of residue 61
P7109
P8053
P1931
P8059
P7633
P8137
P7108
P8058
P7632
P8136
P2067
P0
P7107
P8057
P7167
P1787
P7631
ListSingletonContainer57
Atom CA of residue 72
Model 304
P8135
P7106
P8056
P7166
P7630
P8134
P7105
P8055
P7629
P2074
P8133
P7104
P8054
P7628
P3656
P3215
Atom CD2 of residue 73
P8132
P7103
P7627
P8131
P8052
Model 86
P7626
P8129
P7100
P8050
P7624
P8128
P2052
P8049
P7623
P8126
P7097
P1983
P8047
P8125
Atom ND2 of residue 60
P7096
P8046
P5044
P7620
P8038
P1917
Atom HG21 of residue 44
P8044
P333
P7618
P8036
P7610
P8034
P7608
P8032
P7606
P8028
P7602
P8033
P1514
Atom O of residue 44
P8027
P1759
P7601
P7135
P7599
P8030
ILE
P7134
P7598
P7595
P3
P8020
P7594
Atom HB2 of residue 43
P8019
P7593
P8015
P1752
P7617
P2013
P7589
P8008
P1889
P8014
P6425
P7588
P8013
P7587
P8012
P1745
P7586
P8011
P319
P7585
P3614
P8010
P7584
P8007
P7581
P8006
P7580
P8005
P1669
Atom OG1 of residue 22
P312
P8004
P7578
P8000
P1680
P1738
P7602
P1999
P7574
P3603
P3591
P2
P6608
P7993
P1875
P7999
P7573
P3602
P6607
P7998
P7572
P7997
P1731
P7571
Atom HG21 of residue 7
P7996
P7570
P3599
P6604
P7995
P7569
P8003
P1486
P2006
P7994
P7568
P7992
P7566
P7991
P4113
P7565
P7986
P7560
P7985
P1724
P7587
P1985
P7559
P7978
P1861
P7564
P4112
P7984
P7094
P7558
P3587
P3575
P3
P7563
P4111
P7983
P7557
P7561
P4109
Atom N of residue 42
P7981
P7980
P7554
P7988
P1472
P1992
P7979
P7553
P307
P4097
P4975
P8199
Atom HZ2 of residue 6
P4096
P4974
P7975
P7549
P3576
Model 80
P298
P6376
P7546
P6580
P7545
P1651
P1710
Atom CG of residue 6
P7544
P7974
Atom HB2 of residue 41
P7542
P1703
P7541
Atom H of residue 41
P7540
P7539
P3567
P7973
P1458
P7538
P0
P7536
P6566
P1838
P3564
P6569
P7534
P7533
P3561
P7531
P7530
P1696
P7557
P1957
P7529
P7528
P7527
P3555
P1689
P7526
P3084
P7033
P7497
Atom CD1 of residue 67
P7483
P3085
P7922
P7496
P4092
P3093
P7491
Atom HA3 of residue 53
P7482
P3084
P7921
P7495
P3092
P7490
P1947
P13166
P7481
P3083
P7920
P1608
P7494
P7480
P3082
P7913
SingletonScore 16
P1616
P7041
P7919
P1607
P7493
P3090
P7488
P7479
P3081
P1415
P1935
P7918
P2
P7492
P7477
P3079
P7916
P7490
P3087
Atom HA of residue 67
P7485
P7476
P3078
P7915
P7489
P7475
P3077
P7914
P7488
P7474
P3076
P7487
P7471
P3073
P7910
P7484
P1951
P7470
P3072
P7909
P1914
P7483
P7908
P6319
P7482
Atom OD1 of residue 52
P7468
P3070
P7907
P7481
P7467
P3069
P7906
P7480
P1933
P7466
P3068
P7905
P274
P7479
P13150
P7465
P3067
P7904
P7478
P3075
Atom HG23 of residue 66
P7473
P7464
P3066
P7912
P1401
P1921
P7903
P7477
Atom O of residue 66
P3064
P1944
Atom C of residue 66
P7901
P7475
P3063
P7900
P7474
Atom HD11 of residue 67
P3062
P7899
P1568
P267
P7473
THR
P3061
P7898
P7472
P3058
P7895
P2609
P7469
P3056
P7893
P7470
P2610
P2607
P7467
P1919
P3053
P7890
P2604
P7464
P8099
P4535
P7463
P4886
P6299
P7462
P1564
P6995
P7459
P1563
P7458
Atom HG2 of residue 64
P1562
P7457
Atom C of residue 4
P7456
P1558
P7454
P1557
P7453
P1885
P1556
P7452
P1555
P7451
P257
P1554
P7450
P7449
P1565
P7460
P6996
P7448
GLU
P3478
P7869
P7443
P7442
P3474
Atom N of residue 35
P7865
P7439
P1354
P3473
P7864
P7438
P1871
P1933
P7437
P3471
P7862
P1542
P7436
P3470
P7861
P7435
P7434
P1539
P7433
Atom HG2 of residue 63
P7432
P7431
P1926
P7428
P3462
P7853
P7427
P6256
P7426
P3455
P7846
P4842
P7420
Atom HD13 of residue 13
Atom HE3 of residue 33
P4841
P7419
P3452
P7843
P4839
P7417
Atom HB3 of residue 63
P2728
P2737
P6890
P4869
P7414
P7412
Atom HG3 of residue 11
P3444
P7835
P7409
P1515
P7408
P3442
P7833
P3441
P7832
P1309
P7406
Atom HB2 of residue 33
P7404
P7401
P1898
P6934
P7398
P1822
P6933
P7397
P7396
P7395
P6224
P7394
P7390
P8025
P7389
P8024
P7388
P7386
P7384
P1493
P1884
P7383
P7380
P7379
P7378
Model 63
P1844
P1877
P7377
P7376
P7375
P7374
P7373
P3402
P1839
P6209
P7372
Atom HB3 of residue 31
P7411
P4796
P1478
P7371
P2956
P6405
P7796
P4810
P7370
P2955
P6404
P7795
P7369
P2954
P6403
P7794
P4811
P7368
P2953
P6402
P1869
P7793
P7367
P6401
P7792
P7366
P2951
Atom OH of residue 20
Atom HD12 of residue 30
P6400
Atom CA of residue 31
P7791
P1
P8266
P7365
P2950
P7990
P6399
P7790
P7364
P2948
P6397
P7788
P7362
P2947
P6396
P7787
P2946
Atom HG22 of residue 30
P6395
P7786
P7360
P2945
P7997
P8247
P6394
P7785
P7359
P2944
P1860
P6390
P6393
P4502
P6834
P7784
P7358
P2943
P6392
P7783
P7357
P2942
P6391
P7782
P7356
P2941
P7781
P2939
P6388
P7353
P2938
P6387
P1855
P7778
P7352
P1465
P3896
P3890
P7350
P3895
P3889
P7349
P3894
P3893
Atom HG12 of residue 30
P3892
P3891
Atom HA of residue 30
P7770
P217
P3884
P7344
P7769
P7382
P4767
P6172
P6878
P7342
P1449
P1843
P7341
P7339
P7338
P2649
Atom O of residue 59
P1839
Atom HG3 of residue 72
P7323
P0
P7335
P7334
P7333
P2646
TYR
P7332
P207
P7331
P7330
P7327
P7324
P6868
P7360
P4745
P6150
P7743
P6356
Atom HE1 of residue 59
P2635
P0
Atom O of residue 58
P7321
P6866
P7358
P4743
P1435
P6148
P6354
P7319
P6865
P7357
P4742
P6147
P6353
P2632
ASP
P1823
P7318
P6864
P7356
P4741
P6146
P6352
P7317
P6863
P7355
P4740
P2113
P6145
P6351
P7316
P6861
P6143
P6349
P7314
P6860
P7352
P4737
P6142
P6348
P7313
P6859
P7351
P4736
P6141
P6347
P1430
P7312
P1431
P6857
P7349
P4734
P6139
Atom O of residue 28
P6345
P6856
P7348
P4733
P6138
P6344
P7309
P6855
P7347
P4732
P6137
P6343
P7308
P6853
P7345
P4730
P6135
P6341
P7306
P6852
P7344
P4729
P6134
P6340
P7305
P6850
P6132
P6338
P7303
P6849
P6131
P7302
P6848
P2099
P6130
P6336
P2108
P7301
P6847
P6129
P6335
P7300
P6846
P6128
P6334
P194
P7299
P6844
P6332
P7297
P0
P6841
P6123
P6329
P7294
P6838
P6120
P6326
P7291
P6837
P6119
P6325
P7290
P2878
P6819
P4355
P6825
P4361
P7289
P7287
P6742
P3296
Atom HG12 of residue 26
P7266
P7770
P6741
P3295
P7265
P7768
P6739
P3293
P1
P13265
P7263
P3291
P7261
P7765
P6736
P3290
P7260
P7675
P2001
P0
P7249
P7680
Atom HA of residue 25
P7674
P7248
P7673
P2056
P7247
P3275
Atom NE2 of residue 40
P2836
Atom CG1 of residue 44
P7245
P3268
P7238
P3267
P7237
P3262
P7232
P3261
P7231
P3766
P2038
P3765
P2033
P6255
P3246
P7204
ListSingletonContainer12
P7216
P7640
P3244
P7214
Atom OE1 of residue 51
P7632
P3236
P7206
P153
P7198
P13098
Atom O of residue 21
P3746
Atom HE1 of residue 1
P7182
Atom HD21 of residue 50
P3734
P6224
P7615
P3219
P7189
P3218
P7188
P7613
P8046
P3670
P3664
Atom HG2 of residue 41
P7227
P4612
Restraint 11
P7185
P7183
Atom HB3 of residue 21
P7181
P7180
Atom HA of residue 21
P7179
P1997
P7178
P7177
Atom CE1 of residue 4
P7176
P8505
P7174
P7172
P7171
P3658
GLU
P8028
P3652
P7156
Atom HA of residue 49
P143
P7170
P1990
P7169
P7797
P4233
P5997
P6203
P7594
P3198
P8500
P7167
P3167
P6171
P121
P4200
P4206
P8467
P7135
P7133
P7130
P2715
P2
P7129
P2714
P7128
P7127
P2712
P7126
P2711
P7125
P2710
P7124
P7122
P12925
Atom CB of residue 17
P2709
P2110
P7111
Restraint 9
P7123
P2708
P120
P1946
P7122
P2706
P7120
P2705
P7119
P2682
Atom HG13 of residue 13
P7117
P7115
Atom CG of residue 49
P2702
P2701
P7115
P2700
P7114
P2699
Atom CG2 of residue 3
P7113
P2698
P7112
P2696
P7110
P2694
P7743
P7108
Atom HB3 of residue 20
P7105
P13367
Atom HG22 of residue 12
P2692
P7106
P2691
P7105
P2689
P7103
P2688
P7102
P6132
P6120
P6576
P7137
P2089
P2686
P110
P7100
P2685
P7099
P2683
P2084
P7097
P6571
P7095
P2086
P7519
P5930
P7093
P6993
P6992
P6990
P6987
P56
P6984
P3010
Atom CA of residue 61
GLN
P7622
Atom HZ3 of residue 6
P6982
P6979
P6977
P6976
P6975
P6974
P6973
P7612
Atom HG2 of residue 6
P6972
P7018
P2555
P6970
ASP
P50
P6968
P1952
P6966
P6965
P6963
P6954
Atom N of residue 36
P6955
Atom C of residue 38
P6954
P6980
P1950
P6953
P1939
P6952
P6948
P6959
P6494
P7586
P5784
Atom HE2 of residue 59
P8286
P6946
P6945
P6939
P8252
P8338
P7369
P6943
P7367
P6944
P40
P8285
P6941
P7366
P6940
P7364
P6965
P1936
P7363
P6937
P6935
P8336
Model 389
P1932
P5969
P6933
P6932
P6931
P6930
P6929
P6914
Atom HG21 of residue 36
Model 53
P6928
P6927
P1926
P6925
P7349
P6923
P7348
P1921
P6922
P7347
P1910
P5758
Atom CG of residue 58
P6921
P7345
P5756
P6919
P6918
P6894
P0
P6915
P7418
Atom N of residue 36
P2529
P2526
P6913
P8477
P6912
P6908
P6904
P6901
P8440
P4
P6897
P8460
P6895
P6371
P7750
P117
P8368
P6892
P5720
P3944
Atom HD11 of residue 56
P6891
P8442
P1880
P6889
P2506
P6888
P6884
P35
P6882
P6881
Atom HB2 of residue 42
P6880
P6879
P6878
P6877
P1866
P6874
P28
P6873
P6872
P6871
P6870
P5706
P6869
P5704
P6867
P12
P5703
P6866
Atom HG23 of residue 30
P5702
P6865
P5700
P6863
P5698
P6861
P7286
P7283
P5895
P5697
P6860
P7285
P7279
P1852
P5699
P6862
P2480
P5696
P2477
P6859
Atom H of residue 1
P8420
P7284
P5695
P6858
P7281
P5692
P6855
ILE
P7278
P5689
P6852
P3318
ListSingletonContainer262
Atom HE22 of residue 31
P5684
P6847
P7272
P5683
P6846
P8329
P7271
P5682
P6845
P8413
P7270
P7264
P1838
P5681
P6844
P6317
P7267
P5678
P2461
P6841
P7266
P5677
P6840
P7265
P5675
P6838
P7263
P5674
P6837
P6834
P3378
P3372
P6833
P3377
P3374
P7255
P3368
P6829
P3373
P3367
P6828
Atom N of residue 29
P7253
P3366
P6827
P6831
P3370
P7251
P3364
P6825
P6830
P3369
P2116
P7250
P3363
P6824
Atom HG23 of residue 30
P7249
P3362
P6823
P5853
P7248
P3361
P6822
P5656
P3358
P2441
P6819
P2443
P5648
P2105
P5655
P3357
P6818
P3356
P6817
P7242
P3355
P2438
P6816
P6820
P3359
P7240
P3353
P6814
P7239
P3352
P6813
Atom CG2 of residue 30
P7238
P3351
P6812
P7237
P3350
P6811
Atom CG of residue 29
P7236
P3348
P6809
P5839
P5
P7234
P3347
P6808
P3346
P6807
P7232
P5836
P7231
P3344
P6805
P3284
P8562
P7229
P3342
P6803
P7228
P3341
P6802
P3338
P6799
P8399
P7224
P3337
P6798
P3336
P6797
P7222
P3335
P6796
P6801
P3340
P7221
P3334
P6795
P8394
P7219
P7218
P3331
P6792
P8389
P2077
P7214
Atom HG1 of residue 14
Atom CD of residue 29
P6791
P3330
P7211
P7205
P2074
P3324
P6785
P6790
P3329
P7210
P2070
P6781
P6786
P3325
P7206
P3319
P6780
P3318
P6779
P7202
P2406
P1351
P3320
P7201
P3314
P6775
P5805
P7200
P3313
P6774
P2065
P5804
P2063
P7199
P6777
P3316
P7197
P3310
P6771
P7195
P3308
P6769
P7191
Atom N of residue 76
P6768
P3307
P7188
P3301
P6762
P2393
P6766
P3305
P7186
P7385
Restraint 119
P7180
P4122
P3299
P6760
P7182
P3295
P6756
P3294
P6755
P3292
P6753
P6757
P3296
P7177
P3290
P6751
P7176
Atom O of residue 27
P7173
P3286
P6747
P7170
P3283
P6744
P6749
P3288
P7169
P3282
P6743
Atom C of residue 74
P5574
P5
Atom N of residue 25
P6748
P3287
P7168
P3281
P6742
P3280
P6741
P6745
P3284
P3276
P6737
P6723
P8499
P4081
Atom HG3 of residue 42
Atom HA of residue 26
P6740
P3279
P6738
P3277
P6727
P6205
P72
P3212
P6718
P8494
P2115
P7155
P1
P6729
P6728
P8435
P6144
P6668
P8545
P7045
Atom N of residue 69
P6619
P3671
P2647
P7044
P6618
P2645
P7042
P6616
P6615
P3667
P2643
P2011
P6614
P3666
P2642
P6613
P3665
P2641
Atom HA of residue 68
P6612
P3664
P1918
P2640
P8538
Atom ND1 of residue 68
P6611
P7115
P6078
Atom HD21 of residue 15
P7118
P8379
P3663
P2639
Atom NE2 of residue 68
P7246
P6610
P2245
P3662
P8524
P2638
P7245
P6609
P3965
Atom HB2 of residue 18
P7113
P7116
P8378
P3661
P2637
P3660
P8523
P2636
P6607
P2242
P3659
P2635
P2404
P2015
P7114
P6606
P8364
P0
P3964
Atom HA of residue 18
P2247
P6605
P3657
P2633
GaussianProcessInterpolation71
P6604
P3654
P2630
P6601
P3653
P2629
P6600
P3652
P2628
P8527
P6602
P2244
P1997
P3650
P2626
P6
P6597
P6123
P5425
P3647
P2623
P6594
P7098
P7101
P8363
P2622
P6121
P5423
P3645
P2621
P6592
P5420
P6118
P3642
P4
P8506
P2618
P6589
P2617
P5418
P7226
Atom CD2 of residue 67
P6115
P3639
P2615
P6586
P6111
P3635
P6114
P3638
P2614
P6585
P1983
P2228
P6584
P6583
P6582
P3994
P5411
P6581
P6580
P6579
P6617
P1989
P7003
P5417
P2224
P6611
P1885
P5414
P6577
P8505
P5413
P6576
P8504
P6575
P5617
P8345
P6574
Atom HG1 of residue 66
P6573
P6571
P2215
P6570
P6569
P6568
P6567
P3979
P5396
P1875
P6566
P8303
P6565
P6564
P6562
P2209
P5596
P6561
P5595
P6560
P5594
P6559
P5593
P6558
P5591
P6556
P5590
P6555
P1955
P6554
P8326
P5588
P6553
P5587
P2199
P6552
P5393
Atom C of residue 65
P3964
P2201
P5381
P1861
P6551
P8286
Atom CA of residue 65
P6550
P5584
P2196
P6549
P5583
P5582
P7183
P6547
P5581
P6546
P5580
Atom HB3 of residue 64
P6545
P5579
P5578
P6543
P5576
P6541
P5575
P6540
P1941
P6539
P5573
P6538
P6536
P6535
Atom C of residue 64
P202
P6534
P6533
P198
P6532
P8278
P6506
P1909
P6505
P1844
P8341
Atom O of residue 41
P8270
P8337
P8238
P8269
P5532
P6496
P8268
P6494
P3037
P5992
Atom ND2 of residue 60
P1897
P3853
P1860
P6452
P6451
P6450
P2
P2510
P6449
P2507
P2505
P2075
P6446
P6447
P1889
P1852
P6444
Atom O of residue 40
P6442
P6441
P6439
P3851
P6438
P5260
ListSingletonContainer548
P1309
P6432
P7073
P171
P2976
P2071
P6430
P1874
P6428
P5518
P2980
P2490
P6427
P6426
P6425
P6839
P6407
P3466
P3472
P6413
P6836
P6404
P1849
P3463
P3469
P6410
Atom C of residue 58
P6403
P3462
P3468
P6409
P2473
P2471
P6402
P3461
P3467
P6408
P6833
P6401
P3460
P6832
Atom N of residue 58
P6400
P3459
P3465
P6406
P2052
P6831
P6399
P3458
P6829
P6397
P3456
P1814
P6828
P6396
P3455
P6827
P6821
P2048
P6395
P3454
P6826
P6394
P3453
P6825
P6823
P6391
P3450
P6822
P6390
P3449
P1836
P1835
P6389
P3448
P2936
P5424
P2039
P2933
P1840
P5427
P6818
P6386
P3445
P3451
P6392
P2934
P5425
P6384
P3443
P2447
P6815
P6383
P3442
P2932
P5423
P6814
P3447
P6388
P2931
P5422
P2452
P6813
P6381
P3440
P2930
P6806
P2034
Model 17
P6380
P3439
P2929
P5420
P6811
P6379
P3438
P3444
P6385
P6810
P6378
P3437
P6809
P3436
P6807
P5211
P3434
P5210
P1821
P3433
P6366
P6887
Atom CD1 of residue 36
P6805
P3432
Atom HG1 of residue 55
P5209
P6804
P5208
P3431
P6376
P2024
P5408
P1820
P6373
P5403
P2128
P5406
P6371
P5405
P5200
P6370
P5402
P5401
P5196
P6366
Atom HH12 of residue 54
P5194
P6364
P5397
P5192
P6362
Atom CB of residue 55
P6999
P1811
P5396
P5191
P6361
P6358
P5904
P1805
P6357
P5903
P2109
P6356
P6390
P8555
P5902
P145
P6355
P6354
P5900
P2881
P141
ListSingletonContainer537
P6353
P5898
P6351
P6349
P6344
P2412
P6343
P6377
P8543
P6341
P6338
Atom HB of residue 3
P6337
P6336
P6334
P6333
Atom OD2 of residue 21
P6331
P6330
P5362
P2396
P5361
P6326
P5360
P6325
P6359
P8526
P6324
P2393
P5358
P6323
P5357
P5356
P6321
P5355
P6320
P5866
P6318
P7243
P2870
P5865
P6317
P5349
P6314
P5348
P6313
P6310
P5344
P6312
P1763
P6309
Atom N of residue 13
P6730
P5343
P5856
P2380
P6307
P5341
P6306
P5338
P6303
P5841
Atom HB2 of residue 51
P5337
P6337
P8386
P6302
P6727
P2832
P5131
P6301
P6335
P8385
P6726
P6300
Multivariate Normal distribution 35
P6725
P6299
P5333
Atom OG1 of residue 22
P6724
P8383
P6298
P6722
P2827
P5126
P6296
Atom CA of residue 22
P6721
P6295
P6720
P6292
P6717
P6291
P6289
P6714
P6288
P5322
P6713
P2818
P5117
P6287
P6712
P6286
P6710
P6284
P8373
P6709
P6317
P8515
P6708
P1735
P6282
P6707
P6281
P6703
P6277
P6699
P6273
P6697
P6271
P5100
P6305
Atom CB of residue 2
P8503
Atom H of residue 1
P6696
P6270
P6695
P6269
P5098
P6303
P2333
P8502
P6694
P6268
P6693
P1721
P6267
P6692
Atom HG23 of residue 3
P0
P6690
P6264
P6689
P6263
P6685
P6259
P2335
P6258
P6257
P6256
P8530
P2807
Restraint 130
P2333
P6254
P6253
P8487
P6252
P1706
P6251
Atom HD11 of residue 30
P6250
P8484
P6249
P6247
P6886
Atom HZ3 of residue 48
P6246
P6245
P6244
P6239
P6238
P6237
P6235
P2312
P6236
P1692
P6233
P6232
P6230
P6228
P6226
P2305
P5327
P2775
P2304
P6222
P6219
P6217
P6215
P6213
P6210
P6209
P6207
P1664
P6206
P6205
P2769
P8494
P1793
P1800
P2757
P2288
P2286
P2267
Atom CA of residue 51
P6204
P6203
P6202
P2754
P2285
P6199
P6197
P6620
P6194
P6618
P6192
P1655
Atom HB3 of residue 50
P6617
P6615
P6189
P6613
P6187
P5016
P8320
P6612
P6186
P6185
P5014
P8319
P6610
P6184
P6607
P6181
P6606
P6180
P6176
P5211
P5210
P6174
P5209
P6173
Atom HD3 of residue 33
P5204
P6168
P6166
P6164
P6162
P3212
P4991
P8294
Atom HZ1 of residue 33
P2247
P6161
P2245
P3210
P4989
P8293
P6159
P6158
P6154
P3204
P77
P4983
Atom HG22 of residue 30
P8287
P6573
Atom CD of residue 38
P6153
P6151
P3129
P3126
P2239
P6578
Atom HG21 of residue 30
P6150
P6149
P6574
P6148
P78
P6147
P6572
P6146
P6571
P6570
P6144
P6569
P6143
P6142
P6560
Atom HB2 of residue 50
P6566
P1960
P6140
P6565
P6139
P6564
P6561
P6135
P6134
P6558
P8260
P2099
P6132
P6557
P6131
P3108
Atom CA of residue 12
P2218
P6555
P6129
P8268
P6554
P6128
P5673
Atom HE21 of residue 49
Atom HG3 of residue 42
P3538
P5672
P5660
P6125
P6550
Atom HD3 of residue 29
P3
P6124
P6549
P6123
P3170
P4949
P2095
P8256
P6545
P6119
P6544
P6118
P6543
P5652
P6117
P6542
P6116
P6541
P1579
ListSingletonContainer499
P5650
P6115
P6540
P6114
P6539
P1
P5648
P6113
P6537
P8248
P6110
P6532
Model 6
P6106
P6530
P6104
P6529
P6103
P6528
P6102
P6527
P6101
P6525
P6099
P6524
P6098
Model 238
P3076
P3073
P2191
P6523
P6097
P8235
P6522
P6096
SER
P6521
P6095
P2186
P6520
P6094
P6519
P6093
P6090
P6515
P6089
P6514
P6088
P6513
P6087
P6512
P6511
P1551
P6085
P6084
P6509
P6708
P1
P6083
P6079
P6078
P6075
P6074
P2167
P6073
P1537
P6070
P8419
P6068
P6067
P6066
P3044
P9611
P6996
Atom O of residue 44
Atom O of residue 40
P3041
P2162
P6065
P6714
P8415
P4894
P6064
P6061
Restraint 114
P6060
P6057
P6056
P1523
P6055
P6054
P6053
P6052
P6049
P6046
P6034
P3
P3023
P2948
P6480
Model 203
P2141
P6043
P6042
P6041
P6039
P6034
Atom HB2 of residue 37
P6033
P6030
P3084
P6028
P6027
P6026
P6653
P4853
P6025
P1494
P6024
P6023
P6022
P6021
P6020
P6017
P2553
P6015
P1802
P6061
P1812
P6040
Atom HG1 of residue 14
P6013
P6012
P6016
P2554
P5046
P6010
P3421
P1480
P6009
P6006
P6005
P3059
P8373
P6004
P6003
P6002
P5998
P5997
P5996
P6017
GaussianProcessInterpolation63
P1466
P5994
P6018
Atom HB2 of residue 19
ListSingletonContainer577
P5992
P3043
P1457
P1452
P5979
P5978
P5013
P5526
P5977
P4806
P5976
P5975
P5974
P5973
P5972
P5960
P5969
P1759
Atom O of residue 18
P5967
P2472
P1745
P2459
P5952
P5951
P5949
P1423
P5948
P5946
P5944
P1741
P8197
P5933
P5931
P5897
P6320
P3306
P5894
P1687
P3303
P5891
P3302
P5890
P3300
P3288
LYS
P5888
P3299
P5887
P3286
Atom HB3 of residue 28
P5886
P1683
P3297
P5885
P3296
P5884
P3295
P5883
P3294
P5882
P3293
P5881
P3292
P5880
P3291
P5879
P3289
P5877
P9407
P0
P1673
P5876
P3287
P5875
P3274
Atom HZ3 of residue 27
P5874
P4979
P8137
P8551
P3285
P5873
P3284
P187
P5872
P3283
P3280
P2386
P5871
P4905
P2384
P3281
P5869
P5868
P3279
P5867
Atom HB1 of residue 28
P3277
P3265
Atom SD of residue 1
P5865
P3276
P5862
P3290
P1659
P3282
P1669
P3273
P4966
P8124
P8539
P3272
P5860
P3271
P5859
Atom HE2 of residue 27
P3270
P5858
P3269
P5857
P5856
P6505
P4689
Atom CG2 of residue 13
P5890
P4890
P4688
P5854
P5853
P3264
P5852
P3263
P5851
P3262
P3261
P5849
P3259
P180
P5847
P3274
P6351
P3258
P5846
P3257
P176
P5845
P5394
Atom C of residue 13
P3256
P5844
P3255
P5843
Atom CE of residue 27
P5840
P3250
P5838
P2355
P3249
P173
P5837
P3247
ListSingletonContainer424
P5835
P6336
P6339
P1631
P3239
P4861
P5827
P8505
P4855
P5821
P6452
P4636
P5802
P1602
P1612
P5800
P4869
P6225
P5799
P8469
P5798
P5797
P2318
P5796
Atom HG2 of residue 24
P1
P5795
P5343
Atom O of residue 55
P5793
P5792
P5791
THR
P5790
P5789
P5788
P5335
P5786
P4836
P2372
P5334
P1598
P5785
P5784
Model 191
P425
P9326
P5332
P4617
P2306
P5783
P5331
P1828
P8443
P1398
P4
P5330
P5781
P5329
P4614
P2303
Atom OD1 of residue 103
P5780
P5327
P5778
P4812
P5777
P8345
ListSingletonContainer414
P5324
P5775
P5774
P5773
P5771
P5770
P3171
Atom HG21 of residue 22
P5759
P8331
P6180
P4794
P5758
P4792
P5756
P8325
Atom HA of residue 22
P4788
P4787
P6177
P5751
P4786
P1565
P2802
P2276
P6176
P5750
Atom HA of residue 42
P4785
P8420
P4782
P6172
Atom NH2 of residue 42
Atom O of residue 99
P5746
P4781
P6171
P5745
P1559
THR
P4780
P6170
P5744
P143
P4779
P6169
P4
VAL
P5743
P4778
P4777
P6167
P5741
P4776
P6166
P5740
P2267
P4775
P4773
P6163
P5737
P6162
P6161
P5735
P4770
P6160
P5734
Atom O of residue 21
P4769
P6159
P5733
P2259
P145
P5738
P8306
P6158
P5732
P4767
P8403
P6157
P5731
P6156
P5730
Atom OD2 of residue 21
P5277
P4560
P5726
P2253
P4571
Atom HB2 of residue 20
P4559
P5725
P4558
P5723
P5718
P1539
P4556
P5722
P4555
P5720
P5719
P5718
P5717
P138
P5715
P8385
P5711
P8281
P6133
P134
P5710
P5709
P5707
P5705
P11517
P2683
P6635
P8377
Atom HG22 of residue 9
P5704
P6353
P1521
P2233
P5703
P5702
P5700
P5699
P5698
ListSingletonContainer406
P8279
P5247
Atom HB of residue 9
Atom N of residue 19
P3111
P3099
Atom N of residue 32
P5697
P5696
P5695
Atom HA of residue 18
P5694
P8263
P5693
P8261
P5692
P3104
P4527
P3092
Atom HB2 of residue 31
P5690
P1501
P3102
P4525
P3090
Atom H of residue 31
P5688
Atom HD21 of residue 8
P5687
Atom HD13 of residue 8
P5686
P5685
P5684
P5683
P5681
Atom HG22 of residue 17
P5680
P5679
P5678
P5677
P2273
P5672
P9210
P8233
Atom CD2 of residue 8
P5676
P5675
P5673
P5672
P6321
P2204
P120
P5670
Atom CB of residue 17
P5669
P5667
P5666
P5
P5665
P5664
P5663
P1472
P5660
P5659
P6308
P6293
P5658
P2255
Atom ND2 of residue 25
P8198
P5205
P2708
P1342
P118
P2714
P5656
P5204
P2707
P2713
P5655
P8351
P4
P5202
P8192
P5651
P5649
P5648
P5645
P5644
P5642
P6158
P5637
P6146
P8339
P5641
P2240
P6570
P1452
P5686
P1462
P5640
P6144
P8338
P8554
P5639
Atom HD3 of residue 6
Atom C of residue 32
P3049
P4472
P5638
P5636
P5635
P5633
P5632
P1456
Atom HG23 of residue 12
ListSingletonContainer256
P5631
P19
P5630
P1441
P1451
P5628
P33
P5627
ListSingletonContainer64
Atom HG3 of residue 1
P5624
P5623
P5619
P5650
P2154
P5622
P8539
P5616
P5615
P5614
P1427
P1437
P5613
P6038
P5612
P6037
P5611
P5610
P5609
P5608
P5607
P9163
P2809
P5606
P5605
P9161
P2807
P5603
P5602
P5151
Atom HG21 of residue 17
P5601
P8139
P5600
P2649
P2655
P5597
ListSingletonContainer143
P6245
P6230
P5595
P6244
P6229
P5594
P6243
P6228
P5593
P6242
P6227
P5592
P6241
P6226
P5591
P6240
P3
P6225
P5590
Model 413
P6239
P5589
P5588
P9124
Atom C of residue 46
P6237
P5587
P6236
Atom HA of residue 4
P1361
P5586
P6235
Atom H of residue 22
P5585
Atom N of residue 46
P6234
P5584
P6233
ListSingletonContainer138
P5583
Atom CA of residue 48
P1398
P6232
P1408
P5582
P5581
Atom HD2 of residue 11
P5579
P5578
Atom HB of residue 13
P5577
P5576
P5574
P5573
Atom C of residue 13
P5107
P1347
P5571
P5106
P5570
P5569
P0
P5568
P2174
P1384
P1394
P5567
P8486
P1375
P5566
P5565
ListSingletonContainer137
P5564
P13
P5563
P2607
P11
P5562
P5561
Atom OD2 of residue 32
P5560
P5558
ListSingletonContainer166
P5556
P5103
Model 402
P4395
P5553
P6202
P6187
P5552
P6201
P1379
P6186
P5551
P6185
P5550
P7812
P3007
Atom CA of residue 33
P7821
P1365
P2754
Atom HD11 of residue 13
P6199
P6184
P5549
P6198
P6183
P5548
P6197
P6182
P5547
P2751
P9083
Atom HG2 of residue 16
P6196
P6181
P5546
P6195
P5545
P6194
P5544
P5093
P5971
P4649
P11353
P1360
P8246
P6193
P5543
P6192
Atom CB of residue 48
P6177
P5542
P2744
Atom H of residue 3
P6189
P6174
P5539
P1501
P6188
P6173
P5538
P6
P6172
P5537
P5964
P1393
P6171
P5536
P4641
P8239
P6170
P5535
P7797
P7806
P1351
P1361
P6169
P5534
P6
P6168
P5533
P6167
P5532
P6166
P2539
P5531
P4
P6165
P1969
P5530
P5540
P6175
P1487
P6157
P5522
P7783
P7792
P1339
P6155
P5520
P2724
LYS
P1347
P4550
P5514
P5061
P3
P5512
P2612
P8049
Atom HB of residue 14
P5544
P1475
P5510
P2578
P8047
P5533
Atom HG22 of residue 3
P5508
P2918
P4341
P2915
P1472
P2577
P8046
P5507
P2576
P8045
P5506
P2575
P8044
P5505
Atom HG23 of residue 14
P2574
P8043
P5550
P1334
P5504
P2573
P8042
P5509
P2519
P5503
P2572
P8041
P5502
P2571
P8040
P5501
P2569
P8038
P5499
P4534
P2568
P8037
P5498
P2567
P8036
P5497
P2565
P8034
P5529
P1461
P5495
P8033
P5494
P4326
P2900
P1458
P8031
P5492
P8030
P5491
P6423
P5490
P8028
P6124
P5489
P8027
P6123
Atom N of residue 15
P5488
P6122
P5487
P5511
Atom HG21 of residue 23
P6121
P5486
P6415
P2513
P8026
P6120
P5485
P6119
P5484
P6118
P5483
P6117
P1973
P5482
P6116
P5481
P6114
P5479
P1806
P6113
P5478
P2888
P2885
P1444
P5523
P2547
P6112
P2490
P5477
Atom N of residue 6
Atom CG2 of residue 23
P6111
P5476
P5493
Atom H of residue 12
P6103
P5468
P2873
P4296
P2870
P1430
P5459
P5458
P5457
P5456
P5004
P7994
Atom CG of residue 15
P5454
P5001
P7991
P2467
P5452
P5000
P7990
P5451
P5450
P5448
P5447
P5446
P5445
P5443
Atom CA of residue 54
P5441
P4989
P7979
P5440
P5439
P5438
P5437
P5436
Atom N of residue 17
P5435
P5434
P5433
P6362
Atom CZ of residue 53
P7973
P5432
P4980
P7970
P5431
P5430
Atom H of residue 52
P4463
P2450
P5427
P4462
P5426
Atom H of residue 14
P5425
P2447
P5424
P5422
Atom CD1 of residue 111
P1390
P5419
P2
P7959
P4251
P2821
P1388
P6067
P5417
P2440
P2823
P4250
P5416
P2822
P4249
ListSingletonContainer22
P5415
P4248
P5414
P5412
P5832
P4245
P5411
P5831
P4244
P5410
P4242
P2427
Atom CA of residue 22
P5408
P4241
P5407
P5405
P4238
P5404
P5403
P4236
P5402
P4234
P5400
P4233
P5399
P4232
P5398
P4231
P5397
P4230
P5396
P4229
P5395
P4228
P5394
P4227
P5393
Atom CD of residue 72
P5392
P4225
P5391
P4224
P2411
P5390
P5389
P4222
ListSingletonContainer19
P5388
P4221
P2408
P5387
P4220
P5386
P4219
P5385
P4218
P5384
P4217
P5383
P4216
P5382
P4215
P5381
P4214
P5380
P4213
P5379
P4212
P5378
P4210
P5376
P4209
P5375
P4207
P5373
P4206
P5372
P5371
P4204
P5370
P4203
P5369
P4202
P5368
P4201
P5367
P5366
Atom HG3 of residue 74
P7906
P5365
P6014
P5363
P2391
P5362
P5361
P5360
P5357
P5356
P5354
P5353
P5351
P5350
P5349
P5852
P2018
P5348
P8547
P5345
P5344
P5343
P5342
P5341
P5340
P5338
P5336
P5334
P5332
P5331
Atom CE1 of residue 45
Atom HG23 of residue 3
P5329
P5328
Atom HG3 of residue 31
P5327
P5326
P5325
P8527
P4867
P4431
P7854
P4170
P2355
P4164
P7848
P5323
P5820
P5322
P5319
Atom N of residue 45
P5318
P1870
P1989
P1996
P1877
P8526
P0
P5317
P5315
P5314
P2341
P5313
P5312
P5311
P5309
P5308
P5307
P5306
P1982
P1863
P5302
Atom CA of residue 18
P5298
P5296
P5295
Atom HG of residue 69
P5294
P5293
P5292
Atom HD22 of residue 15
Atom HG3 of residue 1
GaussianProcessInterpolation54
Atom HZ of residue 4
P5291
P1852
P5290
P5283
P8493
P5289
P5288
P5284
Atom CG of residue 71
P2337
P1620
P2760
ClosePairContainer
P5282
P5279
P2309
P5278
Atom HG22 of residue 9
P4811
P5276
Atom CD of residue 51
P5771
P5273
P5768
P5264
P8476
P5270
P1606
P8424
P2746
Atom CB of residue 9
P5765
P2027
P5267
P5764
P5266
P4798
P5262
P7799
P5258
P7794
P2302
P7797
P8233
P1820
P2289
P5256
P8233
P7796
P5255
P7795
P1842
P5743
P8452
P1810
P4075
P5245
P5244
Atom CG of residue 68
P7506
P8786
P4792
P5349
P1808
P5243
P1832
P5728
Atom HA of residue 49
Atom C of residue 8
P4347
P1805
P8221
Atom HA of residue 12
P5240
P5238
P8214
P5233
P1731
Atom CD2 of residue 73
Model 368
P2713
P8388
P7770
P7769
P7768
Atom CE1 of residue 68
P1559
P7767
P7766
Atom O of residue 61
P8433
Restraint 49
P7764
P5217
P8431
PairsRestraint 10
P4762
P4756
P2257
P8197
P4037
P5218
P4761
P4036
P8428
P5214
P8438
P4760
P8195
P4035
P5213
P4758
Atom HB2 of residue 72
Model 378
P1778
P5211
Atom HH22 of residue 74
Atom HG21 of residue 70
P5209
P4755
P8190
P1775
P4030
P5208
P4754
P8189
P4029
P8416
P5207
P8188
P2237
P4028
P5206
P4027
GaussianProcessInterpolationRestraint 20
P5205
P4751
P8186
P4026
P2242
P5204
P4750
P8185
P5203
P8182
P11007
P5705
P7742
P5201
P2241
P4295
Atom HA of residue 74
P5197
P5196
P8415
P5200
P2238
P5194
P5193
P8173
P5702
P8352
Atom N of residue 6
P5696
P5699
Atom C of residue 6
P5192
P5191
P5190
P8170
P5693
P5189
P5188
P5181
P8397
P5187
P4284
Atom C of residue 74
P5186
P5185
P5184
P5183
P5179
P5178
P5177
P5182
P2222
P5176
P5174
P5173
P5172
P5171
P5168
P5167
P5161
P5658
P5160
P5657
P5153
P8370
P5159
P5151
P8369
P5157
P8138
P5156
P5652
P8137
P5653
P5155
P8372
P8136
P5169
P5803
P5154
Atom HB3 of residue 45
P5650
P8135
P1728
P5651
P8134
P5152
P5648
P8133
P5649
P2
P5150
P7674
P5149
Atom H of residue 29
P5123
P7659
P5120
P5119
P5118
P5115
P5112
P5111
P5116
P2162
P5110
P8319
P8087
P5105
P8086
P5104
P5103
P5102
P5199
P1668
Atom CA of residue 5
P1675
P8321
P5101
P5100
P5099
P5098
P5097
P5089
P8309
P5729
P5095
P2142
P5094
P2139
P5091
P5093
Atom CD of residue 18
P5090
P5088
Multivariate Normal distribution 17
P8308
P5087
P1661
P5086
P5077
P5081
P2130
P5075
Atom CG1 of residue 13
P5074
P5072
P1647
P5071
P5073
Atom H of residue 1
P5064
P8284
P5070
P5069
P5068
P5067
P5066
P5163
P2124
P5065
P1801
P5063
P5062
P5061
P5060
Atom CB of residue 68
P5058
P5057
Atom HB3 of residue 16
P5054
P4161
P5546
P1630
P5053
P5052
Atom HD22 of residue 67
P5051
P5050
P5049
P4151
P5042
P8389
P7587
P8028
P1791
P5544
P5046
P2547
P8025
P4592
P8260
P8258
P8025
P5037
P8259
P5043
P1619
P5041
P5040
P5039
P8020
Atom HD13 of residue 67
P4146
P5036
P5035
P5034
P1773
P5033
P5031
Atom HG23 of residue 66
P5030
P5029
P5028
P1605
P5026
P5025
P5024
P4131
P8005
P5121
Atom HA of residue 66
P1974
P5023
P5021
P5019
P1759
P5018
P4110
THR
P5016
P5125
P5513
P5015
P7531
P3835
P4118
P2541
P5014
P4117
P5013
P4110
P2464
P7550
P5009
P7990
P1588
P5008
P5007
P5006
P1577
Atom C of residue 65
P5005
P5102
Atom C of residue 27
P5004
P5507
P4551
P1745
P5003
P4999
P4998
P4997
P4996
P4995
P7975
P4993
P4989
P4982
P2512
P1731
P4988
Atom HG12 of residue 3
P4986
P4979
P2509
P4985
P4984
P1563
P4981
P4983
Atom CA of residue 76
P4980
P4974
P2
Covariance1DFunction 63
P1560
P4978
P4977
Atom HB2 of residue 25
P4976
P4974
P1717
P4973
P4970
P4968
P1549
Atom HG11 of residue 5
Atom CG of residue 63
P4966
P0
P4965
P0
P4964
Atom C of residue 63
P1
Atom HG23 of residue 5
P1546
P4963
P2493
P4961
P5058
Atom C of residue 24
P4960
P1703
P4958
P4956
P4957
Atom CB of residue 12
P4954
P1
P4953
Atom HA of residue 62
P4952
P4949
P4948
Restraint 74
P1698
Atom H of residue 15
P4945
P1965
Atom CA of residue 62
P1688
P4942
Model 337
P4938
Atom C of residue 7
P4935
P4934
P1958
P4933
P1
P4932
P4930
Atom H of residue 61
P4928
P5411
Atom HA of residue 11
P4925
P4924
P4923
Atom H of residue 4
P4922
P5416
P4098
P4918
P5415
P4917
P5413
P4915
P5412
P4914
P5410
P1660
P4912
P4906
P7451
P4897
Atom HG of residue 50
Atom HE of residue 54
P5408
P4904
P2441
P4910
P5407
P4909
P5406
P4908
P5405
P2444
P4907
P5404
P4906
P5401
P4903
Atom HG12 of residue 3
Atom CA of residue 61
P5400
P4902
P5399
P4901
P5397
P4899
P5396
P4898
Atom HA of residue 60
P5393
P4895
P5392
P1646
P4897
Atom HA of residue 15
P4894
P8250
P4440
P4891
Atom HE22 of residue 2
P3986
P3985
P1
P3718
P7414
P4889
P3984
P7407
P3711
P4882
P2421
P7413
P3717
P4888
Atom HG3 of residue 2
P3716
P7412
P4887
P7167
P4882
P3715
P7411
P4886
P3713
P7409
P4884
P3979
P7408
P3712
Restraint 71
P4883
P3978
P1636
P3977
P3710
P7406
P1631
P4881
P3708
P4879
P3974
P3707
P4878
Atom OE1 of residue 2
P3973
P7402
P3706
P4877
P7401
P3705
P4876
Atom CB of residue 15
P7400
P3704
P4875
P3970
P7399
P3703
P4874
P3969
Atom HB3 of residue 16
P3702
P7398
P4873
Atom CG of residue 52
Atom HB2 of residue 1
P3967
Atom HA of residue 16
P0
P3700
P7396
P4871
P7389
P3693
P2405
P3699
P7395
P4870
P4386
P1
P2375
P4868
P7408
P2321
P31
P7407
P2526
P7406
P7846
P4863
P7851
P1621
Atom O of residue 58
Atom C of residue 74
P4854
P2398
P7402
GLN
P4851
P2395
P7399
P4855
P7394
P7393
P4850
P7392
P4849
P5347
P3678
P7374
P4847
P1612
P5774
P4396
P5772
P4394
P4843
P2315
P4842
P4395
P5773
P4841
Atom C of residue 48
P4391
Atom HD13 of residue 56
P4840
P2312
P4390
P4839
P4389
P2378
P4838
P5484
P7817
P4834
P5482
P7371
P4938
Atom HG12 of residue 36
P7815
P4832
P5481
Atom HA of residue 16
P7814
P4831
P4936
Atom HA of residue 36
P7813
P1590
P4830
P5478
P7811
Atom O of residue 56
P4828
P5477
P7810
P4827
P1593
P5334
Atom N of residue 50
P5476
P7809
Model 325
P4826
P5475
P7808
LEU
P7351
P4825
P5474
P5465
P1584
P7807
P2364
P4824
P2382
P5473
P2363
P7806
P4823
P5321
P4822
P7357
P4366
Atom HA of residue 55
P1581
P4363
P7353
P4362
P7347
P4356
P4344
P4808
P3903
P3636
P4807
P3902
P3629
P2347
P3635
P1561
P4806
P3900
Atom HB3 of residue 63
P3633
P4804
P5453
Atom OE2 of residue 34
P1
P7342
P4813
P4349
Atom CD of residue 34
P2348
P4337
P4802
P4336
P4801
P3
P4347
P4335
P4800
P4346
P7776
P4334
P4799
P4345
P4333
P1553
P4798
P4341
Atom CA of residue 3
P4329
P4794
P4339
P5426
P4327
P4792
P5425
P4326
P4791
P4784
P4319
P2332
P5424
P4325
P4790
P0
P5423
P4324
P4789
P5422
P4323
P4788
P5421
P4322
P4787
P5420
P4321
P4786
P5434
P4797
P4332
P5419
P4320
P4785
Atom HA2 of residue 53
P5414
P4315
P4780
P4314
P5413
P4779
P4793
P4328
P5427
P5411
P4312
P4777
P4772
P4324
P7754
P5410
P4311
P4776
P5409
P4310
Atom HA of residue 17
P4775
P4309
P5408
P4774
P4308
P5407
P4773
P5406
P4307
Atom N of residue 11
P4772
P5405
P4306
P4771
LYS
P5416
P4782
P4317
P5404
P4305
P4770
P5403
P4304
P4769
P1525
P5402
P4303
P4768
P5399
P4300
P4765
P5397
P4298
P4763
P5392
P4293
P4758
von Mises sufficient 11
SingletonScore 18
P4762
P5396
P4297
Atom CD of residue 51
P4299
P4764
P5398
P4761
P5395
P4296
Atom HB of residue 9
P5244
P7728
P4755
P5389
P4290
Atom HD23 of residue 50
P3
P7725
P7722
P5374
P4275
P4740
P7716
P5368
P4269
P4734
Atom HD22 of residue 8
P4265
P4730
P8115
P7651
P5174
P7639
P8103
P4682
P4217
P4199
P4664
P2223
P4205
P4670
P8114
P7650
P5173
P7638
P8102
P4681
P4216
P4204
P4669
Atom HB2 of residue 38
P8113
P7649
P5172
P7637
P8101
P4680
P4215
P4203
P4668
P2194
P8111
P7647
P5170
P7635
Atom HG2 of residue 41
P8099
P4678
P1441
P4213
P4201
P4666
P8110
P7646
P7622
GaussianProcessInterpolation10
P5169
P7634
P8098
P4677
P4212
P4200
P4665
P8109
P7645
P2146
P5168
P7633
P8097
P4676
P4211
P5180
Atom O of residue 38
P8106
P7642
P5165
P7630
P8094
P4673
P4208
P4196
P4661
P8105
P7641
P5164
P7629
P8093
P4672
P4207
P4195
P4660
Restraint 61
P4671
P4206
P4194
P4659
P5177
PRO
P5162
P7627
P8091
P4193
P4658
P2173
P5161
P4192
P4657
P5160
P4191
P4656
P4651
P4203
P4667
P2226
P4202
P4190
P4655
P4189
P4654
P4188
P4653
P5156
GLN
P7621
P8085
P4181
P4646
P2207
P4187
P4652
P2180
P8096
P7632
P5155
P7620
P8084
P8095
P7631
P7619
P8083
P4185
P4650
P2341
P5153
P7618
P8082
P5147
P4184
P4649
Atom H of residue 4
P3746
Atom HG13 of residue 36
P5152
P2166
P7617
P8081
P5146
Atom HB2 of residue 45
P4183
P1413
P4648
P2338
P5150
P2162
P7615
P8079
P5144
P7614
P8078
P5143
P4180
P4645
Atom O of residue 41
P7624
P7612
P8076
P5141
P4178
P4643
P7611
P8075
P5140
P4177
P4642
P5139
P4176
P4641
P7609
P8073
P5138
P7606
P8070
P5135
Atom O of residue 45
Atom CG of residue 40
P7605
P8069
P5134
P7604
P8068
P4647
P4182
P5133
P5132
PHE
P7602
P8066
P5131
P2148
P7600
P8064
P5129
P1680
P7599
P8063
P5128
P1408
P7598
P8062
Atom CE1 of residue 45
P5127
P2322
P8061
P5126
P8072
P7608
Atom C of residue 35
P8060
P6888
P7594
P8058
P6887
P6886
P7592
P8056
Atom NZ of residue 27
P5121
Atom HB of residue 44
P5123
P6884
P7590
P8054
P5119
P1671
P6883
P7589
P8053
P5118
Atom N of residue 36
P1
P6882
P7588
P8052
P7144
P4154
P4619
P6881
P7587
P8051
P6879
P7585
P8049
P7596
P6877
P1394
OptimizerState 3
P7583
P8047
P6876
Atom HE3 of residue 33
P6873
P7579
P8043
P4145
P4610
P6872
P7578
P8042
P4144
P4609
P6871
P7577
P8041
Linear1DFunction 19
P4143
P4608
P6870
P7576
P8040
P4142
P4607
P6869
P7575
P8039
P4141
P4606
P6880
P1657
P6868
P7574
P8038
Restraint 57
P4140
P4605
P6867
P7573
P8037
P4139
P4604
P8048
P5123
P7584
P6866
P7572
P8036
P4138
P4603
P5117
P8045
P7581
P6863
P7569
P8033
P4135
P4600
P6861
P4133
P4598
P6860
P7566
P8030
P4132
P4597
P2293
P6859
P7565
P8029
P4599
P4134
P2095
P4131
P4596
P6858
P7564
P8028
P4130
P4595
P2290
P6856
P7562
P8026
P4128
P4593
P4127
P4592
P8034
P7570
P7558
P8022
P6851
Atom HG23 of residue 61
P4582
P2149
P4588
P1380
Atom CG2 of residue 9
P1629
P6850
P4587
P6846
P499
P6849
P7555
P8019
P1353
P4586
P6847
P7553
P8017
P4584
P8027
P7563
P1362
P6845
P8015
P4594
P4129
P7561
P2086
P6843
P7549
P8013
P4580
P8023
P7559
P2084
P6841
P7547
P8011
P2083
P6840
P10385
P7546
P8010
P4577
P2082
P6839
P10384
P7545
P8009
P2146
P4579
Atom HD12 of residue 67
P4576
P10383
P7544
P8008
P4575
P10392
P2098
P4570
P6837
P7114
P4119
P4574
P10381
P7542
P8006
P4573
P1341
P4572
P6832
P6831
P4568
P8120
P2264
Atom HB2 of residue 8
P8012
P7548
Covariance1DFunction 27
P6830
P8108
P1348
P7551
P4570
Atom C of residue 71
P4561
P2130
P4567
P6829
P4566
P6828
P0
P4565
ARG
P4564
P6826
P4563
P8117
P2261
P6824
P4560
P10379
P8004
P7540
P7099
P4096
P4559
P4558
P7530
P4548
P4547
P4545
P4544
P8046
Atom N of residue 41
Atom CA of residue 41
P8028
Atom HB2 of residue 69
P4536
P1793
P4542
P4540
P4539
Atom HB3 of residue 40
P4538
P4535
P7071
P4533
P7068
P4530
P1260
Atom H of residue 68
Atom HD1 of residue 68
P5027
P5030
Atom HA of residue 33
P8025
P7500
P4520
Atom CG of residue 68
P0
P4518
P4517
P5013
P5016
Atom HB2 of residue 32
Atom HD22 of residue 67
P7481
P4501
P1760
Atom HG3 of residue 42
P7487
P4507
Atom HB3 of residue 67
GaussianProcessInterpolationRestraint 5
Atom HA of residue 67
Atom CA of residue 38
Atom C of residue 67
P7474
P4494
P4486
P7466
P1746
Atom HB3 of residue 37
P4585
Atom HG2 of residue 37
Atom HG23 of residue 66
P4990
P1543
P4993
Atom OE1 of residue 31
P5116
P4482
Atom O of residue 66
Atom HD13 of residue 36
P5105
P4471
P7451
P1732
P7457
P5111
P4477
P1731
THR
P7454
P4474
P7460
P4480
P5114
P4966
P4969
Atom CD1 of residue 30
Atom C of residue 65
P7436
P5090
P4456
P1718
Atom HB3 of residue 40
P1409
Atom N of residue 65
P7449
P4469
P5103
P6992
Atom HA2 of residue 35
P6991
P6990
P4455
P7435
P5089
Atom O of residue 40
P6989
P1725
P6988
Atom C of residue 40
Atom CG of residue 64
P6987
P6986
P6984
P6983
P6982
P6981
P6980
P7422
P5076
P4442
P6977
P4941
Atom CE of residue 29
P6975
P0
P6974
Atom HD2 of residue 63
P1711
P6973
P6970
P6969
P5065
P7411
P4431
P6967
P6966
P6965
Atom CG of residue 63
P6962
P5058
P4424
P6961
P5057
P4423
P6960
P6959
P6955
VAL
P7397
Atom HA3 of residue 75
P5051
P4417
P6953
P6951
Atom HB2 of residue 62
P6950
Atom HA of residue 62
P4425
P7405
P5059
P6948
P6947
P6945
P6944
P1683
P6943
P7385
P5039
P4405
P6942
P6941
P6940
P4396
P5030
P7376
P1662
P6939
P5026
P4392
Atom CZ of residue 74
P6938
P7380
P5034
P4400
P6937
Atom HD13 of residue 61
P6936
P6935
P4408
P7388
P5042
P5025
P4391
P5024
P4390
P5023
P4389
P8232
P5020
P4386
P6925
Atom CD1 of residue 61
Atom HD11 of residue 73
P5019
P4385
P5018
P4384
P7374
P4394
P5028
P5004
P4370
Atom H of residue 73
P5013
P4379
P5010
P4376
Atom HD22 of residue 60
Atom O of residue 73
P5008
P4374
P4388
P5022
P5007
P4373
P4387
P5021
P4366
P1634
P5006
P4372
LEU
P5005
P4371
P7351
P4383
P5017
P7870
P5002
P4368
P4380
P5014
P7867
P4999
Atom N of residue 5
P4365
Atom ND2 of residue 60
P7866
P4998
P4364
P4377
P5011
P7864
P4996
P4362
P7863
P4995
P4361
P7912
P2016
Atom CB of residue 59
Atom CA of residue 25
P4375
P5009
Atom H of residue 73
P7862
ASN
Atom HG2 of residue 72
P4994
P4360
P7340
P7861
P4993
P4359
P7860
P4992
P4358
Multivariate Normal distribution 2
P7858
Atom N of residue 22
P7837
P1
P4990
P4356
P7855
P4987
P4353
P6890
P7854
P4986
P4352
Atom H of residue 59
Atom CG of residue 72
P4983
Atom HG21 of residue 12
P4349
P7849
P4981
P4347
P7848
P4980
P4346
P4846
P7847
P4979
P4345
P7845
P4355
P4989
P7842
P4974
P4340
P1605
Atom HG12 of residue 3
Atom CD1 of residue 59
P4354
Atom N of residue 29
P4988
P4964
P4330
Atom HD21 of residue 71
P4973
P4339
P7840
P4972
P4338
Atom HG of residue 57
P7839
P4971
Atom HG21 of residue 30
P4337
P4350
P4984
P4969
Atom CB of residue 31
P4335
P7836
P4968
P4334
P7834
P4966
P4332
P3
P7833
P4965
P4331
P4344
P4978
P7831
GaussianProcessInterpolation33
P4963
P4329
P1400
P7829
Atom CA of residue 6
P4955
P4321
P1592
P4961
P4327
P4341
P4975
P7828
P4960
P4326
P4434
P4821
Atom O of residue 71
P6842
P3145
Atom HE2 of residue 11
Atom CG of residue 71
Atom H of residue 63
Atom OD1 of residue 58
P7827
P4959
P4325
P4958
P2114
P4324
P4957
Atom HG22 of residue 30
P4323
P7818
P4819
P4956
P4322
P7822
P7816
P4817
P4954
P4320
P7821
P7815
P4816
P4953
P4319
P4333
P4967
Atom HD3 of residue 48
P7820
Atom HG3 of residue 64
P4952
P4318
P7819
P4951
P4317
P4950
P4316
P4948
P4314
P4937
P4303
Atom HA of residue 70
P4940
P4306
P1578
P4946
P4312
P7807
Atom CE of residue 63
P4808
P4311
P7811
P4943
P2100
P4309
P7810
Atom HD21 of residue 71
P4942
P4308
P7809
P7806
P7800
P4802
P4938
P4304
P7805
P7799
P4801
P7804
P7798
P4800
P4936
P4302
P7803
Atom HA of residue 64
P7797
P4799
P4787
P7785
Atom CA of residue 75
P4935
P4301
P4315
P4949
P0
P7802
P7796
P4798
P4925
P4291
P1564
P1314
P4934
P4300
P8232
P7801
P7795
P4797
P4933
P4299
P5237
P3391
P1705
P3388
P5234
Atom CG2 of residue 55
P1827
P6567
P7730
P4931
P4297
P7792
P4794
P7780
P4782
Atom HH12 of residue 74
P4930
P4296
P7791
P4793
P2092
P4929
P4295
Atom N of residue 72
P4796
P7794
P7788
P4790
P4778
P7776
Atom HD2 of residue 74
P4926
P4292
P4294
P4928
P2086
P4792
P7790
P7784
P4786
P4922
P4288
P4791
P7789
P7783
P4785
P4921
P4287
P7782
P4784
P4920
P4286
P4789
P7787
P7781
P4783
P4919
P4285
P4788
P7786
P4918
P4284
P7266
P6816
P2071
P4298
P4932
P4917
P4283
P3101
Atom HG2 of residue 2
P7777
P4779
Atom HA of residue 70
P4915
P4281
P7775
P4777
P4913
P2072
P4279
Atom CD1 of residue 69
P7259
P4293
P4927
Atom CA of residue 71
P7774
P4776
P4912
P4278
P7773
P4775
P4911
P4277
P4290
P4924
P4773
P4900
P4266
Atom HB2 of residue 68
P4909
P4275
P4289
P4923
P4908
P4274
Atom HG21 of residue 70
P4771
P4907
P4273
P5201
Atom HG2 of residue 19
P4906
P4272
P4769
P4905
Atom HE of residue 54
P4271
P4768
P4904
P4270
P4767
P1314
P4903
P4269
P4282
P4916
P4765
P4261
P4895
P1536
P4901
P4267
P4764
P4280
P4914
P4763
P4899
P4265
P4762
P4255
Atom C of residue 68
P4898
P2058
P4264
P4761
P4897
P4263
Atom O of residue 70
P4760
P4896
P4262
P4758
P4894
P4260
P3079
Atom CD2 of residue 15
VAL
P4757
Atom CG2 of residue 14
P4893
P4259
P4258
P4755
P4257
P4752
P4254
P4268
P4902
P4751
P4244
Atom HG of residue 67
P4253
P4750
P4246
P1522
Atom N of residue 68
P4252
P4749
P4251
P4748
P4250
P4747
P4249
Atom HB2 of residue 69
P4746
P4248
P6783
P4245
Atom OG1 of residue 12
Atom HB2 of residue 68
P4741
P4243
P4740
P4242
Atom HE22 of residue 2
P4739
P4232
Atom CA of residue 67
P4241
P4738
P4240
P4737
P2040
P4239
P4736
P4238
P4735
P4231
P1508
P4237
P4734
P4236
P4733
P4235
P4732
P4225
Atom HB of residue 66
Atom HA of residue 4
P4234
P7729
P4731
Atom C of residue 68
P4233
P4730
P4728
Atom N of residue 68
P4230
P4726
P4228
Atom H of residue 13
P4725
P4227
P4724
P4226
Atom CD2 of residue 68
P4723
P4722
P2026
P4224
P4721
P4223
P4336
P7723
Atom H of residue 1
P4719
P4221
P4718
P4712
P8231
P4220
P3766
Atom HD21 of residue 50
P4717
GaussianProcessInterpolation32
Atom HD21 of residue 67
P4711
P8230
P4219
P4716
P4710
P8229
P4218
P4715
P4709
P8228
P4217
P4706
P8225
P4214
P4705
P8224
Atom HG of residue 65
P4213
P4704
P8223
P4212
P8227
P4708
P4702
P8221
Atom CA of residue 67
P4210
P8226
P4707
P2012
P4209
P4208
P4834
P4201
P1480
P4207
P4206
P8222
P4703
P4205
P4204
P4701
Atom HB of residue 66
Atom CA of residue 75
P4203
P4698
P7182
P4833
P4200
P4692
P7176
Atom HG of residue 65
P3
P4689
P7173
P4824
P4191
P4688
P7172
P4190
P4687
P7171
P4189
P4202
P4835
P4685
P7169
Atom H of residue 74
P4187
P4683
P4184
P4295
P7682
P4805
Atom HA of residue 63
P3000
Atom HG12 of residue 17
P4678
P4180
P4676
P7160
P4178
Atom CA of residue 10
P4192
P4825
P4675
P4171
P1452
Atom HD3 of residue 63
P4177
P4674
P4176
P4670
P4163
Atom O of residue 63
P7154
P4172
P4667
P7151
Atom HA3 of residue 75
P4169
P4283
P7670
P1442
P2988
Atom HA2 of residue 75
P4666
Model 308
P2110
P4168
P4660
P4156
P1438
P1445
P7144
P4162
P4655
P4157
P4653
P7137
P4155
P2974
P1310
P4651
Atom CZ of residue 74
P2096
P4153
P4650
P0
P4152
P4648
P4150
P4647
P4149
P4646
Atom HH11 of residue 72
P4148
P2103
P4645
P4141
P1424
P4147
P4644
P4146
Atom HB2 of residue 74
P4643
P4145
P4642
P4144
P4641
P4143
P4638
P4140
P4636
P2082
P4138
P4635
Atom NH2 of residue 72
P4137
P4633
P4135
P4631
P4133
P2089
P4630
Atom HZ3 of residue 6
P4126
P1410
Restraint 144
P1311
P4132
ARG
P4629
P4122
Atom CD1 of residue 61
P4131
P4136
Atom H of residue 7
P4628
P75
P4130
P1407
P2949
Atom HD12 of residue 73
P4627
P4129
P4626
P4128
P4625
P4127
P4621
P27
P2068
P4123
P4620
P2075
P4615
P4111
P1396
P4117
P4614
Atom HG2 of residue 6
P4116
P4613
P4115
P4611
P4113
P4610
P4112
P4608
P4108
P4105
P4104
P4102
P1543
P1522
P4101
P4100
P8130
P8051
P7625
P6648
P4087
Atom CA of residue 60
Atom O of residue 71
P4096
P6647
P7598
Atom HD3 of residue 72
P4095
GLY
P1772
P2033
P6646
Atom H of residue 6
P8109
Atom NH1 of residue 72
P4114
P8118
P2060
Atom HD2 of residue 72
P4094
P6642
P1909
P6645
P8108
P4113
LEU
P4093
P6644
P8107
P4112
P4092
P8105
P4109
Atom CA of residue 6
P4090
P6641
P8104
P4108
P4089
P6455
Atom O of residue 10
P0
P6640
P8103
P4107
P4088
P6639
P69
P8102
P4106
P8111
Atom H of residue 72
Atom HD21 of residue 43
P6638
P8101
P4105
P7
P4086
P1506
P6637
P4085
P6634
P7596
P4082
P6632
P4074
P1370
P1324
P4080
P1758
P2019
P6631
P4079
P6627
P1895
P6630
P8093
P2042
P4078
P6629
P4077
P4075
Atom HG21 of residue 17
Atom HD11 of residue 8
P316
P6624
P4072
P6623
P4071
P4070
P4069
Atom HD12 of residue 69
P4068
P4067
P4059
Atom CZ of residue 72
P1356
P4065
P2028
P4063
P4062
P4058
Atom CB of residue 69
P4057
P4056
P4055
P4054
P4053
P4050
P4049
P2014
Atom HG13 of residue 70
P4048
P4043
P4042
P4047
P1313
P4041
P4040
P4038
P7551
Atom C of residue 70
P4037
P4035
P4032
P4030
P4020
Atom CD1 of residue 56
P4029
P4028
P4027
P4026
P4011
P4010
P4009
P4007
P4005
P1
P4004
P4109
P1972
P4003
P8024
P6995
P3993
Atom HH12 of residue 54
P4002
P8241
Atom HD13 of residue 69
P3990
Atom HD3 of residue 54
P3999
P3998
P3997
P3996
P3992
Atom H of residue 54
P3982
Atom HG21 of residue 3
P1958
Atom HD13 of residue 67
P3988
P3987
P1955
Atom HG of residue 67
P3985
P7498
P3984
Atom HB3 of residue 68
P3983
P3981
P3980
P3979
P3978
Atom CG of residue 67
P3977
P3975
Atom H of residue 68
Atom C of residue 67
P3974
Atom O of residue 68
P3972
P3970
P3968
P3966
P3965
P3969
HIS
P3957
P1949
P3963
P3953
Atom CG of residue 52
P3962
P1946
Model 293
Atom CB of residue 66
P3960
P3959
P1930
Atom HB2 of residue 67
P3958
P3954
P3952
P3951
P3948
P3947
P3945
P6497
P7461
Atom HG22 of residue 66
P3944
P3942
P3940
Atom CD of residue 51
P3937
P3932
ILE
Atom N of residue 66
P3930
P3929
P1902
Atom HB3 of residue 65
P3928
P3933
Atom C of residue 66
P3927
P6918
P3919
THR
Atom HD13 of residue 50
P3925
P3924
P3916
Atom HG3 of residue 64
Atom CA of residue 13
P3922
P3920
P7942
Atom HD3 of residue 63
P3
P3918
P3917
P1888
P3913
P3903
Atom HG2 of residue 49
P3912
P3904
P2084
P3910
ListSingletonContainer378
P6892
P3900
Atom HA of residue 49
P3909
Atom CE of residue 63
P3908
ListSingletonContainer326
P3907
P7928
Atom CB of residue 64
P3905
P3899
P1874
P3898
P3897
P3886
Atom HZ2 of residue 48
P3895
P3894
P4554
P6443
Atom HZ3 of residue 63
P7917
Atom HB2 of residue 62
P3893
P3892
P6441
P7915
Atom H of residue 62
Atom HG3 of residue 63
P3891
P3884
Atom CD2 of residue 15
P180
P3890
P3889
P3888
Atom CB of residue 62
P3885
P3875
Atom HA of residue 48
P1860
P3883
P4822
P6434
P3882
Atom CB of residue 63
P3880
P7903
Atom HD13 of residue 61
P3879
Atom HD12 of residue 61
P3878
P3876
P171
P3874
P3873
ListSingletonContainer319
P3872
P3870
P3868
P3867
P3866
P3865
P3864
Atom CG2 of residue 61
P3863
P7885
P2051
P3861
P1821
P3860
P3859
ListSingletonContainer317
P3849
Atom H of residue 46
P3858
Atom CA of residue 62
P3857
P3856
P3855
P3852
P3818
P3815
P3802
P3801
P3799
P3798
P3797
P3796
P3795
Atom H of residue 57
P3794
P3792
P3791
P3790
P3788
P3786
P3785
P3784
Atom HD13 of residue 71
P3783
P4442
P6332
Atom HD13 of residue 56
P3782
Atom N of residue 22
P3770
Atom HE of residue 42
Atom NZ of residue 48
P3779
P3777
P13372
Atom CG of residue 48
P3776
P3
P3775
P3774
P3773
Atom CG of residue 56
P3771
P3769
ILE
P3768
P3766
P3765
P3764
P3763
P8138
P3762
Atom HB2 of residue 11
P8137
P3761
P3759
P8132
P3756
P8131
Atom HD11 of residue 56
P3755
P8129
P3753
P8127
ARG
P3751
P8126
P3750
P8124
P3748
P8123
P3747
Atom H of residue 56
P8121
P3745
P8120
Atom O of residue 56
P3744
P8118
Atom HD3 of residue 54
P3742
P8117
LEU
P3741
P8115
P2577
P3739
P8114
P2576
P3738
P8112
P2574
P3736
P8111
P2573
P3735
P131
P8110
P2572
P3734
P1964
P6724
P8103
P2565
P3727
P4376
P6266
Atom C of residue 53
Atom N of residue 53
P3707
P3706
Atom C of residue 52
P6253
Atom O of residue 40
P3249
Atom CA of residue 42
Atom N of residue 52
P3696
P3695
P7702
Atom OD1 of residue 21
P0
Atom HG of residue 50
P3674
P3673
Atom CG of residue 52
P7690
P2124
Atom HG2 of residue 51
P3672
P8047
P3671
P7687
P2120
P8045
P3669
P8044
P3668
P8043
P3667
P7184
P8042
Atom CG of residue 50
P3666
Atom CB of residue 37
P8041
P3665
P8040
Atom HA of residue 51
P8039
P3663
Atom OE2 of residue 51
P8038
P3662
P8037
Atom O of residue 51
P3661
P8036
P3660
P8035
P3650
GLN
Atom CG2 of residue 36
P3653
Atom O of residue 41
P3659
Atom HD12 of residue 36
P8034
P8033
P3657
P8032
P3656
Atom HG22 of residue 36
Atom NE2 of residue 41
P8030
P3654
P8029
Atom HG12 of residue 36
P8027
P3651
P8026
P3648
P8023
Atom HB2 of residue 50
P3647
P8022
P3646
P8020
P3644
P8019
P3643
P6193
P3189
P8017
P3641
P8016
P3640
P8015
P3639
P8013
ListSingletonContainer361
P3631
Atom CB of residue 9
P3637
P8012
P3636
P8009
Atom HG3 of residue 34
P3633
P8007
P3622
Atom CB of residue 34
Atom HD3 of residue 63
P8006
P3630
P8005
P74
P3629
P8002
P3626
P8000
Atom OE1 of residue 49
P3624
P7999
P73
P3623
P7998
P3616
Atom CG2 of residue 17
P7997
P7982
ListSingletonContainer234
P3621
Atom HG22 of residue 17
P7996
P3620
P7995
P3619
Atom HG12 of residue 17
P7993
P3617
P7992
Atom HB of residue 17
P7991
P3615
ListSingletonContainer360
P3614
P7989
Atom H of residue 46
P1
P3613
Atom H of residue 33
P7635
Atom H of residue 47
P7988
P3612
P3611
Atom HZ2 of residue 33
P7986
P200
P13431
P0
P3610
P7985
P3609
P7984
P3608
Atom CG1 of residue 17
P3597
Atom CB of residue 33
P3606
P7981
P3605
P7980
P3604
Atom HG3 of residue 16
P7979
P3603
P7978
P3602
P7977
P3601
P3600
P7975
Atom CE of residue 48
P3599
Atom HA of residue 32
P7621
Atom C of residue 46
P7974
P3598
P3596
P7618
Atom N of residue 46
P197
P3595
P7970
P3594
P7969
P3593
P7967
P3591
P3589
P7964
P3588
P4088
P12907
Atom HG21 of residue 12
P3586
Atom HD22 of residue 15
P7961
P7946
P29
Atom C of residue 47
P3585
P7959
Atom CB of residue 32
P3583
P7957
P3581
P7956
P3580
P7955
P3579
Atom H of residue 5
Atom HB3 of residue 15
P7954
P3578
P7953
P3577
P4081
P7091
Atom HG23 of residue 44
Atom HD22 of residue 25
P7092
P7950
P3574
P1917
P7091
P7090
P7948
P3572
P7089
P7947
P3571
P6623
P7088
ListSingletonContainer227
P3570
P7087
Atom CB of residue 15
P7945
P3560
Atom CA of residue 31
P3569
P100
P7086
P7944
Atom HE2 of residue 45
P3568
P7943
P3567
P7084
P7942
P3566
P7940
P3564
P2069
P7081
P7939
P3563
P8415
P7079
P7937
P3561
P7078
P3554
Atom CA of residue 14
P7077
P7935
P3559
P1903
P7076
P7934
P3558
P7075
P7933
P3557
P7073
P7931
P3555
P7930
P3545
Atom HA of residue 30
P1324
GaussianProcessInterpolationRestraint 45
Atom HG3 of residue 2
P7070
Atom CB of residue 3
P3552
P7069
P135
P3551
P7696
P5897
P7068
P3550
P7066
P3548
Atom CE of residue 11
P7064
P3540
Atom H of residue 13
P8537
P3546
P7063
P7062
P8536
P3544
P3533
Atom HZ3 of residue 29
P23
P3542
P7059
P3541
P7058
P175
P7057
P3539
P7052
P3525
Atom HG3 of residue 29
P3528
Atom HG22 of residue 12
P7688
Atom C of residue 10
P1817
P7051
P7050
P13312
Atom HA of residue 49
P3532
P7049
P8515
Atom HD21 of residue 43
P3522
Atom HB2 of residue 29
P3531
P4103
P7047
P3520
Atom H of residue 29
Atom HE2 of residue 29
P3529
P4102
P7046
P7039
P4101
P7045
P8520
P3527
P7038
P4100
P7044
P8512
P3526
P7043
P3523
Atom HD12 of residue 3
P1976
P7037
P3519
P7036
P3518
P7035
P3517
P7034
P168
P3516
P7033
P3515
P7030
P3512
Atom HA of residue 8
P75
P7029
P3511
P7028
P2604
Atom C of residue 50
P18
P8503
P3510
P1
P8366
P7027
P3509
P7025
P3501
Atom CD of residue 24
P3507
P7024
P163
P3506
P7023
P3505
P71
P7022
LEU
P3504
Atom CG2 of residue 17
P7020
P3502
P7021
P8360
P7018
P3500
Atom CA of residue 28
P3499
P7015
P3497
P7013
P3489
Atom HG23 of residue 23
P3486
Atom HB3 of residue 27
P3495
P7010
P3492
Atom NZ of residue 27
Atom OE1 of residue 41
P7009
P8486
P3491
P7006
ListSingletonContainer213
P3488
P2100
P7004
P7002
P3478
Atom CG1 of residue 23
Atom CG1 of residue 36
P3484
P7001
P3483
P7000
P3482
P6999
ListSingletonContainer346
P3481
P6998
P3480
P61
P6997
P3479
Atom CA of residue 42
P3477
Atom HA of residue 40
P7499
P3973
P3970
P2612
P3475
P3971
P3968
P2578
P3473
P2611
P3969
P3966
P2576
P3471
P3965
P2575
P3470
P2577
Atom O of residue 36
P3967
P3964
P2574
P3469
P3962
P2572
P182
P3458
Atom O of residue 26
P3467
P3960
P2570
P3465
P3957
P2567
P3462
P2568
P3958
P3460
P3456
P6003
P5991
P6447
P3444
Atom CG of residue 25
P7825
P3453
P6001
P3451
P5999
Atom CA of residue 25
P3449
P5998
Atom HD3 of residue 38
Atom OD1 of residue 21
P8446
P5986
P6442
P3448
P6451
P5995
P5983
P6439
P3445
P6449
P8453
P5993
P5981
P6437
P3443
P3442
P3942
Atom HB3 of residue 24
P3939
P2550
Atom O of residue 36
P6434
P3440
P1956
P0
P6432
P3439
ILE
P5968
P3431
ListSingletonContainer201
P3926
P3922
Atom CD of residue 37
P6492
P1942
P135
P5957
Atom CD of residue 19
P3420
P5955
P3418
P5954
P3417
P5952
P3415
Atom HG23 of residue 36
P5949
P3412
P5948
P3411
P5944
P3407
Atom NZ of residue 11
P5940
P3403
Atom CG2 of residue 36
Atom HD3 of residue 37
P2
Atom CG1 of residue 36
P5936
P3399
P6916
P7773
P5934
P8397
P3397
P3395
Atom CB of residue 57
P5744
P1914
P3388
Atom CB of residue 9
ListSingletonContainer196
P3394
Atom N of residue 51
P3393
P3392
P3391
P3389
P3387
P3386
P3384
Atom HB2 of residue 34
P3382
P8375
P120
P3381
P3377
P7399
Atom CB of residue 34
Atom O of residue 36
P3374
P3373
ListSingletonContainer264
P8365
P3363
Atom H of residue 20
P3372
P115
ILE
P3371
P3370
P3369
P3367
P7382
ILE
P3366
P6358
Atom HE2 of residue 33
P3358
LEU
P3364
P7738
P7735
P6356
P3362
Atom HA of residue 20
P6357
P7736
P7733
P6354
P7732
Atom C of residue 8
P6353
P3359
Atom CB of residue 19
P6348
P7720
P3348
Atom HA of residue 7
P13570
Atom CD of residue 42
Atom H of residue 7
P6347
P6346
P6332
P70
Atom HG2 of residue 19
P6344
P6343
P7374
Atom CB of residue 33
Atom HB2 of residue 19
P7721
P3349
P6329
ListSingletonContainer186
P6341
P6340
P7718
P8348
Atom CA of residue 34
P3346
P8360
P6351
P5895
P6339
P3336
Atom HB3 of residue 18
P6338
Atom CA of residue 7
P105
Atom HB3 of residue 32
Atom OG1 of residue 7
P6337
P6336
P6334
Atom CB of residue 29
P3340
P6333
P6331
P8340
P3337
P7712
P6330
Atom CB of residue 32
P3335
P6316
P102
P7698
P8330
P6328
P3334
Atom O of residue 42
Atom HA of residue 18
P6327
P3324
Atom CA of residue 18
P78
P3333
P6326
P3332
P6325
P3322
Atom N of residue 18
P106
P3331
Atom H of residue 6
P6323
P3329
P6320
P99
P3326
P3325
P8320
P8319
P6315
P101
Atom CA of residue 33
P3321
P6835
Atom CA of residue 6
P8316
P13547
Atom NE2 of residue 31
P6314
P3320
Atom HG22 of residue 17
P6313
P3319
P6312
P6836
P6311
P3308
Atom O of residue 17
P5663
P2119
P6309
P3315
P6307
P3313
Atom C of residue 6
P6306
Atom HG2 of residue 16
P6305
P3311
P6304
P3310
P8312
P6301
P6298
P3304
P6297
Atom CA of residue 17
P2448
Atom H of residue 28
Atom HG12 of residue 5
P56
P3303
P6296
P3302
P6283
P92
P6295
P6292
P3296
P6289
Atom CG of residue 15
P3295
Atom HB3 of residue 31
P6288
P3294
P6286
P8286
P52
P3283
Atom HD21 of residue 15
P3292
P2096
P6284
P3290
P7313
Atom CA of residue 30
P6282
P3288
P6281
P3293
Atom CD of residue 31
P3287
Atom HD11 of residue 43
Atom HB3 of residue 27
P6280
P6279
Atom OD2 of residue 32
P75
P3285
Atom CA of residue 44
P8561
P6278
P7308
Atom HZ1 of residue 29
Atom C of residue 31
Atom CD2 of residue 15
P6277
P1
P8277
Atom HG22 of residue 30
P6276
P3282
P6271
P1370
P3277
Atom CB of residue 61
P6270
P3276
P2082
P6767
GaussianProcessInterpolation26
P6269
Atom HB3 of residue 29
P8279
P3275
P6267
P3273
P6266
Covariance1DFunction 42
P8550
P3272
P3265
Atom HA of residue 26
P3271
P6264
Atom O of residue 26
P135
P8549
P3270
P8298
P6263
P8299
P3269
P6262
P3268
P12591
P7289
P6260
P3266
P8262
P6258
P6248
P3255
Atom CG2 of residue 14
P7288
P3264
P5806
Atom CG2 of residue 30
ListSingletonContainer335
Atom OG1 of residue 14
Atom CA of residue 29
P6257
P3263
P6231
P3238
P3231
P3230
P6213
P3220
Atom N of residue 12
P12547
Atom HH11 of residue 42
P6222
P3229
P1
P6221
P3228
P3725
P7603
P3722
P8507
P2544
P6226
P3233
Atom H of residue 24
Atom HB1 of residue 28
P199
P3221
P6214
Atom HD13 of residue 23
P6220
P3227
P6219
P3226
P3723
P7601
P13458
P3720
P8506
P6218
P3225
P5775
P2038
P5773
P2036
P5772
Atom HG12 of residue 26
P6725
P8500
Atom HB of residue 26
P6724
P3706
P6722
P3201
P2515
P6194
ILE
P5756
P2022
ListSingletonContainer261
Atom HD22 of residue 25
P6720
P6719
P6715
P2507
P6193
P3200
P6713
P6712
P6711
P6189
P3196
P4072
P6710
P3186
THR
P36
Atom O of residue 25
P6709
P6187
P3194
P5744
P5741
P2008
P6705
P6704
P6182
P3189
P6703
P3182
Atom HB2 of residue 21
P6702
P6700
P3185
P6698
Atom CA of residue 26
P3183
Atom H of residue 10
P6695
P3180
P6694
P3179
P6693
Atom HB3 of residue 25
P3178
P6692
P3168
Atom CB of residue 8
P3177
P1994
P6690
P3175
P6239
P5727
P4053
P6689
P7551
P3174
P6687
P3172
P6686
P3162
Atom HG21 of residue 7
P3171
P6683
Atom OG1 of residue 14
P12497
P3664
SER
P2476
Atom HG21 of residue 23
P6681
P2483
P3166
P3156
Atom C of residue 22
P3159
Atom CA of residue 20
P3165
P6679
Atom HG3 of residue 24
P3164
P6678
Atom HG3 of residue 19
P3154
Atom CG2 of residue 13
P3163
Atom CB of residue 24
P3153
Atom CG1 of residue 13
P6671
P6659
P7180
Atom HB2 of residue 24
P12482
Atom O of residue 23
P5706
Atom H of residue 12
P6670
P6658
P7179
P3155
P5705
P6669
P4024
P6657
P7178
P5704
P6656
P7177
P5
P5703
P6655
P7176
Atom HB3 of residue 19
P3152
P5702
P12477
P4021
P6654
P7175
P3151
P5701
P6665
THR
P5680
P2462
P12476
P6653
P7174
P3150
P5700
P6664
P3149
P5699
P6663
P6651
P7172
P2467
P3148
P5698
P6662
P5677
P2459
P6650
P7171
P3147
P5696
P7181
P6660
P6648
P7169
P3145
Model 267
P12471
Atom HA of residue 22
P5695
P3144
P5694
P3143
P5693
P3142
P5690
Atom HG12 of residue 23
P3139
P5689
P3138
P5688
P2002
P5664
P170
Atom HA of residue 23
P3137
P12463
THR
P5687
P3136
Atom CD of residue 19
P5686
P3129
Atom CB of residue 18
P3126
Atom NZ of residue 6
P3135
P5683
P6647
P3132
P1996
Atom CD of residue 6
ListSingletonContainer115
P6125
P5682
P6646
P3131
P5681
P6645
P3130
P5678
P6642
P7499
P3127
P5675
P6639
P3124
P5674
P6638
GaussianProcessInterpolation23
P3123
P12449
ASP
P5673
P6637
P3122
Atom CG2 of residue 23
P5671
P6635
P3120
Atom HG2 of residue 6
P5669
P6633
P2433
P3118
P5668
P6632
P65
P3117
P6628
Atom CG2 of residue 17
P2435
P3113
P12438
Atom C of residue 20
P5662
P6626
P3102
Atom HA of residue 4
P3111
P5661
P8398
Atom O of residue 9
P3110
P6624
Atom HB3 of residue 21
P3109
P2436
Atom NH2 of residue 42
P12435
Atom N of residue 20
P6623
P3108
P3105
P3103
P3107
Atom HA of residue 21
P160
P3101
P2414
P156
P3091
Atom CG2 of residue 5
P3100
P3099
P3098
P3596
Atom C of residue 16
P6092
Atom HG of residue 20
P3095
P8382
P3094
Atom HA of residue 5
P3093
P2010
P8381
P3092
Atom HB3 of residue 15
ListSingletonContainer108
P3090
P18
P3089
P3088
P3085
P3083
P3082
P149
Atom HD2 of residue 19
P3081
P3080
Atom O of residue 18
P8366
P1996
P8365
P3074
P3073
P1993
P3067
P3997
P1896
P5541
P3060
P5540
P3059
P2545
P5536
P1845
P5539
P3058
P5538
P8342
P3057
P5537
P3868
P7006
P7009
P8274
P3046
P4
P1843
ListSingletonContainer471
P3055
P5522
P1832
P5525
P6037
P6490
P3044
P2144
P5524
P6489
P3043
P5523
P3042
P2141
P5521
P6486
P3040
P5520
Model 27
P6485
P3039
P6896
P1889
P5519
P2540
P6484
P3038
P2529
P5518
P6483
ListSingletonContainer474
P3037
P5517
P6482
P3036
P5515
P6480
P3034
P1884
P6478
P3032
P2131
P6477
P3031
P5511
P6476
Atom O of residue 26
P2535
P3030
P5509
P6474
P3028
P5508
P2532
P6473
P3027
P5507
P6472
P3026
P7113
P3016
Atom HB of residue 13
P5506
P6471
P7402
P10
P3025
P5505
P2529
P2527
P6470
P7401
P5
P3024
P6881
P1875
P2516
P5504
P6469
P2357
P7400
P3023
P3531
P2051
P5503
P6468
P7399
P2352
P3022
P6900
P2524
P3515
P177
P5502
P6467
P7398
P3021
P3513
ListSingletonContainer553
P5500
P6465
P7396
P2349
P8
P3019
P6897
P2521
P1907
P5499
P6464
P7395
P3018
P5498
P1870
P6463
P3017
P5497
P179
P6462
P7393
P3016
P5496
P7392
P7377
P96
P3015
P5495
ListSingletonContainer554
P6460
P7391
P7376
P24
P2513
P7096
P2999
Atom C of residue 13
P3517
Atom H of residue 60
P1898
P6866
P1861
P5489
P6454
P7385
P5546
P3008
P5488
P6453
P7384
P5485
P7381
P2497
P5483
P7379
P5482
P7378
P5480
P5537
P2999
P5479
P7375
P5477
P5476
P2503
ListSingletonContainer551
P1884
P6851
P1847
P5474
P5473
P2500
P3484
P5262
P5468
P6865
P2492
P5467
P2073
P5466
P6842
P1827
P5465
P3492
Atom CD2 of residue 59
P5464
P5463
P6934
P2301
P2966
P2964
P2452
P2939
P2938
P5878
P2883
P8530
P7202
P2829
P2142
P5329
P8502
P2777
P5328
P8500
P2126
P2776
P5326
P8499
P2124
P2774
P9764
P7149
P2301
P5324
P2784
P8508
P121
P2772
P1806
P2771
P2770
P2768
P2766
P2765
P2763
P70
P2760
P2758
P8439
P2755
P74
P2753
P2752
P2751
P5746
P5737
P1660
Atom HD21 of residue 50
P2750
P2749
P2748
P9735
P2747
P2746
Atom CA of residue 57
P2744
P2743
P8467
P2741
P48
P2272
P2740
P2269
P2737
P2736
P6177
P3571
Atom CD2 of residue 4
P2734
P6174
Atom CG of residue 42
P2731
P6172
P2729
P6171
P2728
P6169
P2726
P6167
P2724
P6164
P2721
P6163
P2720
P11975
P2253
P6162
P8447
P2719
P6160
Atom O of residue 63
P2717
P2707
Atom CA of residue 5
P7094
P2716
Atom HA of residue 29
P8295
P6158
P2715
P2705
Atom O of residue 14
P6157
LYS
P2714
P2713
P6154
P2711
P6153
P2710
P3566
P6152
P2709
P6151
P2708
P6150
P9695
P2707
P6146
P2703
P6145
P6144
P2701
ILE
P6143
P8429
P2700
P6142
P2699
P6141
P2698
P6139
P2696
P6137
P2694
P6136
P2693
P1751
P5243
Atom HE21 of residue 62
P6134
P2691
P6132
P2689
P3547
P6131
P2688
P6129
P2686
P2221
P8413
P2684
P2683
Atom CG of residue 62
P6123
P2680
P6122
P2679
P6121
P2678
P6120
P2677
P6119
P8406
P2676
P6118
Atom OE1 of residue 2
P2675
P3534
P6117
P2674
P6116
P2673
P6115
P6106
Atom HE2 of residue 11
P2211
P2672
P6114
P2671
P1730
P2682
P8412
P6113
P2670
P6112
P11926
P6103
P2208
Atom HG13 of residue 61
P6109
P9644
Restraint 51
P2666
P6108
P2665
P6107
P8395
P2664
P6105
P2662
P6104
P2661
P2660
Atom CG of residue 2
P6101
P2658
Atom O of residue 18
P2195
P6098
P2655
P6097
P2654
P3515
P6096
ListSingletonContainer584
P2653
P6094
P2651
P6092
P2649
P6091
P8379
P2648
P6090
P2647
Atom OE1 of residue 41
P6089
P8378
P2646
P6088
P2645
P6087
P11889
P6066
P3
P2644
P6086
P2643
P6085
P3486
JeffreysRestraint_P0
P2642
P6084
P2641
P6081
P5632
P2638
P6079
P6078
P2176
P6077
P6076
P6075
Atom HE21 of residue 40
P6073
P5624
P2630
P6072
Atom HB3 of residue 40
P6070
P6069
P6068
P6054
P6575
P6052
P6573
P5615
P2621
P6051
P6572
P6061
P6049
P6570
P5612
P2618
P6060
P5611
P2617
P6059
P6047
P6568
P6058
P3470
P6046
P6567
P6057
P6045
P6566
P2608
P2607
Atom OD1 of residue 39
P2605
P2604
P2602
P2601
P2600
P2599
P2598
P2596
P2595
P9584
P2593
Atom HB2 of residue 38
P2591
P2137
P6038
P9580
P2589
P9578
P2587
P9577
P4
P2586
P1325
P9576
P2585
P9574
P2583
P9573
P2582
P2581
Model 205
P1
P2563
P2561
P2560
P8307
P2559
P3207
P3192
P2556
P6934
P2554
P2553
P5105
P2552
P1787
P2551
P2549
P2548
P2546
P4624
P8058
P2
P8055
P2539
P4541
Atom O of residue 14
P4621
P2538
P8052
P2536
P7775
P1823
P2534
P1832
Atom O of residue 91
P7772
P2532
P1831
P2531
P1471
P6011
P9048
P2530
P307
P2529
P4611
P6008
P9045
P2527
Atom HA of residue 50
P5498
P2526
P2524
P5047
P2701
P2566
P8035
P5496
P2698
P2579
P8032
P5493
P1818
P2518
ILE
P7753
P2515
P4592
P2512
P1450
P4520
P2
P2510
P4589
P8237
P2509
P4517
P2507
P8019
P5026
P2680
P2665
P2504
P5979
P6404
P2500
P9013
P2498
P1437
P5466
P2497
P2496
P5463
P2494
P4571
P290
P2493
P5968
P2491
Atom OD1 of residue 52
P8004
P5011
P2489
P2488
P1427
P2485
P6386
P2484
Atom C of residue 70
P2483
P6383
P2480
P4485
P2914
P5954
P2478
P7729
P5444
P2477
P7987
Atom CB of residue 55
P4994
P2648
Atom O of residue 55
P2633
P2475
P5441
P2474
P7984
P4991
P7706
P2630
P2472
P2470
Atom HA2 of residue 53
P2465
P1403
P6364
P2464
P5858
Atom CA of residue 53
P6361
P2461
P4464
P1746
P2459
P2458
P2455
P1393
P2454
P8963
P2453
P2890
P2001
P1750
P2452
P270
P8960
P2450
P2447
P4962
P2616
P8549
P7674
P268
P7677
P2446
P2445
P2444
P4959
P2443
P4243
P5409
P2441
P7948
P2440
P4240
P5406
P2438
P7945
P2437
P1722
P2436
P11206
P5904
P2433
P2432
P11203
P5901
P2430
P1726
P2429
P4941
P2427
P6321
P2424
Atom HE of residue 74
P7652
P2423
P6318
P2422
P2421
P2419
P4489
P5379
P4930
P2418
P2416
P5376
P4927
P2415
P5883
P8920
P2414
P4211
P5377
P4926
P8528
P6307
P2412
P2411
P4208
P5374
P4923
P2561
P4467
P2410
Atom C of residue 117
P2574
Atom SG of residue 115
P2409
P2408
P8511
P7634
P2407
P2571
P2406
Atom CA of residue 115
P2405
P5869
P2401
P2397
P8912
P1692
P2396
P2832
P8508
P6286
P8906
P4457
P4898
P2389
P7891
P2387
P8903
P4454
P4907
P1682
P4895
P2386
P5851
P2385
P2384
P5848
P2382
P2381
Atom CA of residue 112
P2380
P4887
Atom HD3 of residue 72
P7602
P2378
P2377
P2376
P4884
P7599
Atom OG1 of residue 69
P2375
P4883
P2374
P4880
P2371
P4438
P4436
P7869
P2368
THR
P6257
P2367
P239
P5320
Atom CD1 of residue 8
P6254
P2364
P2361
P8461
P7581
P2359
P2358
P2355
P1648
P5816
Atom C of residue 37
P2353
P7848
P5306
Atom CZ of residue 72
P5303
P4856
P6237
P2349
P8445
P222
P2347
P8448
P7567
P2346
P4408
P2345
P8457
P2344
P5300
P4413
P5799
LEU
Atom HB3 of residue 1
P5792
P4406
P4404
P2341
P5297
P2340
P5288
Atom CA of residue 36
P2335
P5794
P2332
P1624
P7561
P8442
P7549
P2330
P2329
P6214
P2328
P4388
P7546
P2324
P8819
P2322
Atom HG23 of residue 70
P7816
P5270
P2319
Atom H of residue 9
P5267
P2316
P5271
Atom HG3 of residue 1
P5766
P5268
Atom CA of residue 41
P2314
P5265
P2311
P4811
P4369
P2309
P2292
P5259
Atom CB of residue 1
P1823
P8801
P2306
P2305
Atom HG21 of residue 14
P5257
P5248
P11064
P8409
P6182
P2299
P2295
P1837
Atom HE21 of residue 49
P8470
P7783
P4353
P8227
P4351
P2293
P2290
P1580
P2287
P7500
P8780
P4786
Atom CA of residue 97
P7779
Atom NZ of residue 96
P7776
P2286
P5734
Atom H of residue 22
P8777
P4783
P8216
P7773
P2283
P4339
P5232
P8213
P4337
P2280
Atom NE2 of residue 68
P5226
P6160
P2279
P5732
P5223
P6157
P2276
Atom CB of residue 11
P1789
P2273
Atom CB of residue 7
Atom HD2 of residue 4
P2272
P186
P7480
P7489
Atom HA of residue 67
Atom N of residue 7
P11036
P5214
P0
P185
P2268
P2267
P8197
P7757
P8547
P7754
P2266
P1779
P7751
P2263
P4318
Atom HD12 of residue 67
P4316
P1542
P2261
P6139
P2260
P2258
P8748
P4754
P2257
P1973
Restraint 183
P8181
P5704
P7741
Atom CG of residue 67
P7463
P2252
P4304
P2682
Atom CE of residue 6
P8359
P2251
P5198
P2249
Atom O of residue 6
P7735
P7732
P2246
P4738
P8173
P2244
P2243
P1755
P8148
P7449
P2239
P8345
P2672
P8346
P5688
P1517
P2237
P2236
P8162
P5685
P2234
P1522
P2662
P1326
Restraint 47
P2231
P5174
Atom HB2 of residue 65
P5171
P7717
P6104
1G6J_MODEL1.pdb
P2227
P1954
P4719
P8333
P2666
Atom O of residue 65
P2224
P7450
P8149
P5672
P7709
P2222
P5166
P2220
P2219
P7445
P8144
P5667
P2218
P2214
P7420
P2213
P164
P1316
P2212
P5659
P7429
P8317
P7417
P2210
P8692
P4698
P5146
P8475
P0
P2206
P8130
P2202
P8122
P2198
P1711
P2635
P8119
P1474
P2195
P8116
P8294
P2618
P5637
P8469
P2191
P8094
P7395
P2190
P1478
P2188
P1700
P8341
P4236
P4234
Atom CB of residue 1
P2186
P4673
Atom C of residue 5
P5120
P2183
P6050
P8660
P2178
P4666
P2177
P8098
P4665
P5114
P8076
P7377
P2174
Atom CD of residue 62
P2603
P8273
P2170
P7391
P8090
P5613
P8445
P2169
Atom HA of residue 64
P5610
P2099
P2166
P1454
P2165
P8264
P4648
P8641
P2161
P2545
P2159
P2543
P8637
P2157
P0
P4201
P5092
P7355
P2154
P5187
P1326
P7352
P2151
P8069
P5583
P128
Atom HB2 of residue 60
P5592
P2150
P5083
P5077
P2535
P2149
P8628
P4634
P2534
P2148
P4189
P7625
P2146
P2145
P4186
P7622
P5586
P8063
Atom C of residue 61
P8422
P6010
P2143
P2142
P1653
P7341
P2141
Atom N of residue 61
P6007
P2140
P4183
P2522
P2136
P5133
Atom HG1 of residue 7
P4700
P4179
P2571
P5067
P2131
P4177
P4172
Atom HB2 of residue 68
P1806
P8049
P4616
P2128
P2125
P4170
P4164
P7600
P8041
P3272
P2117
P2
P2116
P2115
P2112
P7736
P5123
P6732
P5127
Atom OE1 of residue 49
P2135
P3278
P7221
P1830
P6514
P2
P2101
P5111
P5099
P2099
Linear1DFunction 4
P4748
P8095
P2095
P7709
Atom CG of residue 6
P2094
P2100
P6713
P3706
P6708
GLY
P3265
Atom N of residue 76
P2091
P8101
P7675
P2088
P1828
P2084
P3250
P2077
P4649
P4151
P7698
P8085
P2073
P6683
P2072
P5081
P2070
P4718
P2067
P6477
P8152
P7123
P8073
P3235
P2063
P3233
P2060
P2058
P5066
P4703
P7664
P2053
P5555
P2051
P6242
P1690
MD 10
P2049
P5025
P1760
P6429
P4663
P2021
P8009
P2020
P1500
P8018
P3180
Atom HD22 of residue 8
P4151
Atom HA of residue 8
P1756
P0
P6423
P2017
P3178
P4666
P6432
P1753
P1751
P1750
P8226
P7126
P4142
P1749
P5010
P2010
P4061
P1744
P3
P2005
P2000
P1737
P1998
P1678
P1736
P1674
P8210
P1734
P4994
P2883
Covariance1DFunction 12
P1733
P2714
P1
P1994
P4130
P7114
P7108
P4124
P6396
P4046
P1730
P1991
P3150
Atom HD2 of residue 68
Atom N of residue 72
P8066
P1735
P4127
P7111
P6405
P1728
P6393
P1989
P3148
P4636
P1725
P1986
MolecularDynamicsMover2
P1723
P1984
P1722
VAL
P1662
P8195
P0
P1720
P4979
P4034
Atom N of residue 70
P2868
P1719
P2699
P1980
P7099
P6381
P7556
P1717
P1978
P4031
P1716
P8051
P1721
P7096
P6390
P1714
P6378
P1975
P3133
P3112
Atom HE21 of residue 40
P1973
P7969
P4086
P1647
P8180
P7080
P1706
P4964
P4952
P1967
P2853
P1705
P2684
P2669
P1
P1966
P7584
Atom CD of residue 41
P1964
P4016
P1650
P8183
P7083
P1643
P1702
P7532
P3118
P3097
P1959
P4606
P1697
P1958
P7954
P1695
P1956
P6368
P4071
P8165
P7065
P1692
P4949
Atom C of residue 70
P6991
P2838
P1691
P3
P1956
P1952
P1954
P1950
P4001
P1688
Atom O of residue 17
P3103
P3082
P1949
P1945
P6982
P2829
P8020
Atom C of residue 17
P3105
Atom HD2 of residue 54
P1951
P1955
P1948
P1944
P2835
P6988
P6979
P2826
P8017
Atom CA of residue 68
P7514
P7542
P1947
P1943
P1946
P1950
P4056
P4934
P8014
P2832
P6985
P6976
P2823
P6349
P2654
P1938
P7924
Atom H of residue 12
P1928
P4041
P4919
P2817
P6970
P6961
P2808
P6334
P2639
P1924
P3516
Atom HG1 of residue 66
P3073
P7034
P3052
P1917
P4026
P4904
P1911
P3956
P7888
P1907
P7022
P6304
P3060
Atom CA of residue 37
P1387
P7897
P2613
P7471
P1905
P3058
P7019
Atom HB2 of residue 16
P6301
P3037
P6496
P1903
P1
P7497
P1901
P7894
P2608
P7468
P1900
P1899
P1376
P4885
P4888
P3941
P6933
P7007
P6289
P7959
ListSingletonContainer331
P6930
P3043
P270
P7004
P6286
P3022
P1889
P1566
P0
Model 72
P1888
P7482
P1887
P7879
P4528
P2596
P2587
P4519
P4863
P1886
P3996
P1883
P7494
Atom CB of residue 36
P1880
P3031
P6274
P7467
P1873
P4860
P4513
P2581
P4504
P4848
P1872
P2612
P6461
P1870
P3981
P1869
LEU
P2748
P1868
P3016
P6259
P7425
P6255
P7452
P1859
P7422
P1919
P4489
P1858
P4844
P1857
Atom CB of residue 34
P2565
P1856
Atom O of residue 34
P3966
P7836
P3445
P7373
P6853
P7802
P1843
P6852
P8231
Atom CA of residue 61
P7415
P4800
P1473
P7403
P4788
P1842
P2963
P2684
P165
P2687
P6398
P1840
Atom ND2 of residue 60
P2951
P7870
P2954
P1488
P232
P6915
P6197
P6912
P6194
P1832
P3908
P0
P3844
P3835
Atom HB2 of residue 45
P1829
P2989
P3426
P1858
P4464
P7895
P1857
P3425
P2975
P1856
Atom CB of residue 33
P7822
P1855
Atom O of residue 33
P3941
P1820
P4809
P6218
P6215
P1811
P7378
P6858
P1809
P4605
Atom CG of residue 68
Atom CE2 of residue 59
P2508
P1808
P8034
P5557
P5978
P1804
P4156
P1805
P7592
P8033
P5542
P1790
Atom CG1 of residue 5
P1787
P1786
P7293
P1783
P4126
P5017
P1777
P7562
P5011
P2538
P5017
Linear1DFunction 28
P1771
P7280
P1769
Atom CA of residue 57
P1766
Atom HD21 of residue 60
P5005
P7547
P1763
P5001
P1759
P5933
P1758
P92
P7265
P5630
P2524
P4094
P1755
P88
P5497
P4989
P1747
P4987
P1743
Atom SG of residue 80
P4529
P1738
P81
P1733
P7495
P3799
P2501
P4522
P1731
P1730
P4972
P1729
P4064
P1727
P5461
P7226
P2417
P7232
P5467
P4959
P72
P1719
P4507
P7498
P1717
P5055
Atom N of residue 24
P1715
P4070
Model 120
P1714
P0
P4049
P1713
P1712
Atom H of residue 57
P7931
P1701
LEU
P5454
P1708
P1699
Atom HH22 of residue 72
P7214
P2401
P7202
P4934
P5445
P2397
P5439
P8476
P1694
P7915
P1693
P5436
P4928
P1691
P2458
P7911
P4477
P1689
P8274
P1688
P1687
P10737
P2388
P10734
Atom HA of residue 55
P4021
P7477
P4019
P1685
P5423
P1679
P1675
P4462
P1674
P1673
P5409
P4911
P1672
P4006
P4004
P1671
P5838
P8256
P1669
Atom CG of residue 119
P1661
P4447
P7872
P2364
Atom CB of residue 119
P1660
Atom O of residue 119
P1659
P3991
P3989
P1657
P1656
P2358
P7155
P3
Atom HD1 of residue 59
P7174
Atom HA of residue 54
Atom CG of residue 50
P8431
Atom N of residue 73
P1652
Atom CA of residue 3
P7865
P3980
P7845
P37
P1644
Atom HB2 of residue 59
P3976
Model 331
Atom HB of residue 3
P7405
P3709
P4880
Atom O of residue 73
P3974
P1643
P1642
P1635
P7410
Atom NE of residue 74
Atom H of residue 58
P7850
P4867
P7851
P5380
P2338
P7133
P5374
P32
P1632
P1628
P30
P5364
P1627
P7842
P7124
P2518
P1623
P4852
P5354
P7375
P3679
P2392
P1618
P7834
P5357
P1617
Atom H of residue 47
P4834
P4387
P1605
P1603
P3929
P1601
P1613
P5776
P2508
P1599
Atom CA of residue 50
P2369
P1595
P16
P4807
P5327
P2379
P5470
P7803
P2484
P1588
P7362
P4371
P3914
P1587
P1586
P5745
P8356
P1582
P1577
P7348
P4357
P10627
P4805
P1576
P35
Atom CE2 of residue 45
Atom HD13 of residue 44
Atom N of residue 49
P4804
P5318
P2282
Atom HZ2 of residue 48
P5312
P7066
P27
P7069
P7078
Atom HZ3 of residue 48
P4902
Atom HH12 of residue 54
P7788
P1574
P5315
P2279
P5309
P3899
P1573
Atom HZ1 of residue 48
P1572
Atom HE3 of residue 48
P1571
P2275
P5730
P8341
P1568
P2478
P7063
P7779
P7328
P3886
P3
Atom NE of residue 54
P1557
P8326
P2451
P1554
P4775
P2458
P5282
P7041
P1547
P2336
P7313
P3871
P3869
P1544
P8207
P4760
P1535
P4312
Atom HD1 of residue 45
P2232
P5683
Atom CG of residue 57
P1521
P2419
P4297
P7290
Atom CB of residue 57
P2418
P1520
Atom C of residue 57
P1518
P8285
Atom O of residue 57
P1519
P7286
P3841
P2293
P3839
P1516
P0
P1515
P2409
P1511
P4263
P4728
P7710
P1494
P1501
P4276
P1500
P8276
P1497
P5227
P3547
P2270
P3544
Restraint 63
Atom N of residue 44
P5648
P7256
P1491
P5221
P2199
P1490
P3806
P2386
P1487
P2260
P1483
P4719
P4254
P8235
P4242
P4707
GLN
P6972
P1481
Atom H of residue 43
P4252
P1479
P1476
P8134
Atom HB3 of residue 39
P5205
P3794
P1475
Atom HA of residue 7
P1328
P5201
P1486
P2385
P4246
P1472
P5196
P8125
P4704
P4239
P4227
P4692
P6957
Atom CB of residue 40
P1467
P1465
P4237
P5193
P1464
P1462
P7655
P8119
P5190
P3779
P1461
P1
P3778
P7664
P1455
P5181
P4689
P4224
ARG
P6942
P2353
P1453
P1451
P4222
P7643
P8107
P5178
P1450
P7213
P1307
P8177
P1439
P3751
P3749
Atom CA of residue 30
P1433
Atom N of residue 46
P1428
P4640
P1423
P4192
P3736
P1259
Atom N of residue 74
Atom N of residue 37
P3734
P2320
P1419
Atom CA of residue 15
Atom HD23 of residue 73
P5144
Atom HD13 of residue 36
P2319
P1418
P1414
P8171
P2310
P1409
P4177
P3721
P3719
P1405
P1404
P8108
Atom HG13 of residue 44
Restraint 160
P3698
P1398
Atom CB of residue 63
P4611
P4146
P2175
P1397
P5116
P1392
P1643
P6865
P7571
P1650
P8035
P4137
P4602
P1383
P8044
P7580
P6862
P1379
Restraint 157
P1375
P5096
P1361
P1358
P5081
P6833
P1347
Atom CG of residue 54
Atom CG of residue 39
P7226
P1332
P5782
P1325
P6721
P1323
P1319
P8452
P1318
Atom CG of residue 34
P1317
P7730
Covariance1DFunction 48
P1316
P4485
P1311
P7393
P4778
P7381
P4766
CHARMMStereochemistryRestraint2
ListSingletonContainer456
P1307
P7928
P4945
P1
P1501
P4948
P4992
Atom OE1 of residue 2
P1654
P4441
Restraint 33
Atom HA of residue 61
P5178
P3501
P3215
P2837
P4260
P5929
GaussianProcessInterpolation53
P1813
P2296
P7374
P8073
Atom HZ2 of residue 63
P5596
P7951
P2429
P8564
Atom CA of residue 54
P5466
P7231
P7237
P5472
P6240
P2140
P1777
P5285
P10928
Atom HB3 of residue 65
P8320
Atom HG12 of residue 70
P5598
P4642
P2147
P8310
P5183
Atom HG of residue 69
P500
Atom HD13 of residue 23
P2455
Atom H of residue 18
P12468
Atom HA of residue 42
P5692
P3141
P6644
P5667
P6631
P2438
P3116
P3
P3493
P5396
P6799
P2367
P2364
P6796
P8136
P6100
P5393
GeneralizedGuinierPorodFunction 32
P4344
P6808
P0
P191
P13289
P6823
P4359
P78
Atom CD of residue 37
P2097
P7286
P1573
Atom HG2 of residue 64
P3402
P3393
Atom HA3 of residue 75
P3414
P2126
P6517
Model 193
Atom O of residue 18
P5242
P3396
P3387
P5233
P1826
P6566
Atom C of residue 75
Atom HG of residue 71
GLU
P5239
P3393
Atom HB of residue 55
P6575
P1370
P3384
P5230
P6563
P3392
Atom N of residue 75
Atom HH21 of residue 74
P3116
P4390
Atom HD3 of residue 74
P0
Atom HH11 of residue 74
Atom HE of residue 74
P3230
Atom HG3 of residue 74
P3926
P2027
GLU
P3935
Atom NE of residue 74
P7951
P1797
ILE
P6938
P5325
P4899
Atom CG of residue 74
P6934
P3216
Atom O of residue 74
P5044
Atom C of residue 74
P1795
Atom HD22 of residue 60
P417
P1652
P3213
ARG
Atom HE21 of residue 2
Atom N of residue 74
P7367
Atom HD21 of residue 73
Atom HA2 of residue 10
P7888
P3464
P6923
P3205
P6922
Atom HG of residue 73
Atom N of residue 18
P3470
P3
P7877
Atom N of residue 61
Atom CB of residue 73
P4871
P3194
P4486
P7873
P6888
P3191
P6908
Atom N of residue 73
Atom HE of residue 72
Atom HD2 of residue 72
Atom HG3 of residue 72
P4394
Model 314
P6877
P3180
P6897
P6900
Atom CG2 of residue 3
P1763
Atom N of residue 60
Atom HB3 of residue 72
P5286
P6619
P6874
P3177
Atom HE2 of residue 59
Atom HA of residue 72
P1758
P404
P4855
Atom HE1 of residue 59
Atom H of residue 72
P4859
P1420
P4853
Atom NH1 of residue 72
Atom CD of residue 72
Atom OH of residue 59
Atom CB of residue 72
P3149
P6846
P3128
Atom HB2 of residue 2
Atom HA2 of residue 75
Atom HD13 of residue 71
Atom HD12 of residue 71
Atom H of residue 75
P3146
P6843
P3125
P7731
P2083
Atom CD2 of residue 71
P7768
Atom HG13 of residue 70
Atom HB of residue 70
P7262
Atom H of residue 70
P3370
Atom CB of residue 70
P2058
P7754
Atom N of residue 70
P6813
P5200
P4766
P7242
Atom CE1 of residue 68
Atom HD23 of residue 69
Atom HD22 of residue 69
P3083
Atom CA of residue 68
Atom HB3 of residue 69
P4362
Atom CE2 of residue 4
P3076
Atom HD21 of residue 67
Atom H of residue 14
P7239
Atom CD1 of residue 69
P2055
P3075
Atom CB of residue 69
P1530
P7235
P1523
P2054
Atom HA of residue 15
Atom O of residue 69
P3345
P1539
P6789
P3064
P7745
Atom HA of residue 68
Atom CE1 of residue 68
P0
Atom ND1 of residue 68
P3770
P2041
P7216
Atom O of residue 68
P3053
Atom HD13 of residue 67
Atom HA of residue 8
P3757
P4328
P7715
Atom CZ of residue 72
P4319
P7706
Atom HD11 of residue 67
P7202
Atom HB2 of residue 67
P4228
P1784
P7672
Model 92
P3754
P4333
P7720
P3038
Atom H of residue 67
P8219
Restraint 148
Atom CD2 of residue 67
Atom CG of residue 67
P3743
P3742
P8218
P8220
P4305
P7692
LEU
P2045
Atom HG1 of residue 66
P8215
P3739
P3298
P4105
P3732
P4294
P7681
Atom OG1 of residue 66
Atom N of residue 64
P8204
Atom C of residue 66
Atom N of residue 66
P4306
P7693
Atom HZ2 of residue 63
P3011
P8199
Atom HB3 of residue 65
Atom HB2 of residue 65
P2104
Atom H of residue 65
P4681
P7165
P4183
Atom OG of residue 65
P3718
Atom HD3 of residue 6
P4280
P7667
Atom CB of residue 65
P3717
P6719
Atom CZ of residue 74
P3276
Atom HG13 of residue 17
Atom HD2 of residue 6
Atom O of residue 65
Atom HG21 of residue 22
P1590
P7299
P1583
P3159
P6856
P1582
P3138
P7296
P3852
P4310
Atom H of residue 64
P12969
Model 290
P4148
P6632
P6191
P3187
P3166
Atom HG2 of residue 34
P8487
P7155
P7154
Atom CA of residue 64
P12966
P4145
P6629
P6188
P3184
Atom HZ3 of residue 63
Atom HZ2 of residue 63
Atom HB3 of residue 19
P7150
P6187
P5981
P7781
P4217
P7149
Atom HZ1 of residue 63
P12951
P4130
Atom HE3 of residue 63
P3171
P6868
P6847
P3150
Atom HB3 of residue 63
Atom HB2 of residue 63
Atom CD of residue 63
Atom CG of residue 63
Atom HG22 of residue 70
P7300
P3856
P1621
P6160
P3142
Atom N of residue 63
P3209
P4988
Atom HE22 of residue 62
P5190
P8450
P3544
Atom H of residue 62
Atom OE1 of residue 62
P2234
P6643
P8434
Atom N of residue 62
P8433
Atom HD13 of residue 61
P5684
ModelScoringFunction4
P5242
P11936
Atom HD11 of residue 61
P7077
P3339
Atom HG23 of residue 61
P3024
P4416
P4413
P3021
P4045
Atom C of residue 61
P4
P6535
P8333
Atom CB of residue 7
P52
P6023
P3972
P12
Atom HG12 of residue 23
P3019
Atom HB3 of residue 60
P5798
P5081
P6677
Atom CG of residue 42
P6749
Atom HB2 of residue 60
P5349
P6240
Atom O of residue 60
P5346
P6237
ASN
Atom N of residue 60
P3214
P3217
P12037
Atom HE2 of residue 59
Atom HD2 of residue 59
Atom HB2 of residue 59
P6877
P5262
Atom H of residue 60
P6226
P0
Atom H of residue 59
P6222
Atom OH of residue 59
P8516
Atom CE2 of residue 59
P2303
Atom C of residue 59
P2299
P6724
Atom CB of residue 59
Atom N of residue 59
P1804
P2296
P6721
P6211
Atom HB3 of residue 58
P5245
P6209
Atom HA of residue 58
P2291
P5040
P2294
P12010
P6708
Atom OD2 of residue 58
Atom C of residue 58
P6710
Atom CB of residue 58
P8438
Atom O of residue 2
P6200
P8437
P2287
ASP
Atom HB2 of residue 57
P1781
P6696
P7124
P2278
Atom O of residue 57
P3373
P1782
Atom C of residue 57
Atom OD1 of residue 58
P6186
P1780
Atom HD23 of residue 56
P6693
P7121
SER
ListSingletonContainer65
P1786
P2742
P1779
Atom N of residue 57
P3563
P6857
Atom HD21 of residue 56
P3405
Atom HB2 of residue 56
P5382
P118
P6346
Atom CD2 of residue 56
Atom CD1 of residue 56
P2235
P12146
P2
Atom CG of residue 56
P2414
P3309
Atom CA of residue 56
Atom N of residue 56
P3380
Atom C of residue 55
Atom CA of residue 55
P9881
P54
P5431
P9860
P2216
P116
P7257
THR
Atom O of residue 15
P3377
Atom N of residue 55
P130
P5427
Atom HH12 of residue 54
P82
P6316
Atom HE of residue 54
P5423
P2860
P6305
P128
Atom HG2 of residue 54
P3366
Atom HB3 of residue 54
P2204
P3689
Atom H of residue 54
P3685
Atom NE of residue 54
Atom CD of residue 54
P2375
P3355
P2861
P7234
Atom CB of residue 54
P3681
P3268
Atom O of residue 54
Atom HB2 of residue 51
Atom H of residue 51
P3464
P6460
P7420
Atom O of residue 51
Atom CG of residue 37
Atom HD23 of residue 50
P8472
P3971
Atom HB2 of residue 57
P6907
P6906
P12709
Atom HD22 of residue 50
P7529
P22
Atom HG of residue 50
P6900
P6899
P12702
Atom HB3 of residue 50
P8376
Atom HB2 of residue 50
P6898
P6897
P12700
Atom HA of residue 50
P2617
Atom O of residue 50
P4447
P3055
P6059
Atom CA of residue 50
Atom OE1 of residue 24
LEU
P4169
Atom CG of residue 24
P8494
Atom N of residue 50
P4198
P7552
Atom HG3 of residue 49
P2639
Atom HB2 of residue 49
Atom HD3 of residue 19
P13587
P7387
P8450
P3429
Atom OE1 of residue 49
Atom CD of residue 49
P13
Atom C of residue 47
P5914
P5917
Atom CG of residue 49
P7773
P3878
Atom HE3 of residue 48
P7318
P1
P3874
Atom HD2 of residue 48
P4869
Atom HG12 of residue 23
P3868
P1599
Atom HG of residue 71
P3165
P6862
Atom CD of residue 31
P4430
Atom HG2 of residue 48
Atom CA of residue 12
Atom HB3 of residue 48
Atom CG of residue 16
P1313
P7311
P3867
P8150
P6771
P13373
Atom CD of residue 48
Atom CB of residue 48
Atom N of residue 48
P5930
Atom C of residue 48
Atom CG of residue 34
Atom HB3 of residue 20
P3441
LYS
P6361
GLY
Atom N of residue 47
P7869
P4185
P8551
P6000
Atom HB2 of residue 46
P7866
P4182
P8901
P4452
GaussianProcessInterpolation6
Atom O of residue 46
P4888
P8559
P7878
P2370
P1898
ALA
P7874
P8537
Atom HD2 of residue 45
P5851
Atom HD1 of residue 45
Atom HB2 of residue 2
Atom HB2 of residue 45
Atom H of residue 2
Atom H of residue 45
P4382
Model 376
Atom CD1 of residue 45
P5826
P233
P8479
P5835
P5855
Model 137
P4879
P5426
Covariance1DFunction 71
P8534
P4187
P7871
P7850
P4166
P2356
GeneralizedGuinierPorodFunction 45
P5822
Atom CG of residue 45
Atom C of residue 45
Atom C of residue 7
P7585
Atom O of residue 45
P2
Atom HD13 of residue 44
P226
P5963
Atom HE3 of residue 1
Atom HG23 of residue 44
P7850
P5305
P4858
P6239
P4145
Atom HG21 of residue 44
P4177
P7861
P8525
P7840
P4156
Model 375
Atom CD1 of residue 44
P3865
P8292
P5642
P6809
P6285
P3291
Atom HB of residue 30
P3792
P7670
ILE
P5843
P7316
Atom N of residue 44
P5829
Atom CG of residue 31
P5814
P8281
Atom HB2 of residue 15
Atom H of residue 43
P0
P1316
P1800
Model 276
P3239
P6232
Atom HG3 of residue 27
P7256
Atom CG of residue 43
P5047
P7567
P3871
Atom HD21 of residue 67
P1799
P5587
P7323
P2500
P7320
Atom CA of residue 62
Atom O of residue 58
P7311
Atom HB3 of residue 27
Atom O of residue 43
Atom HD12 of residue 67
P1797
P6752
Atom HB2 of residue 27
Atom C of residue 43
P3232
Atom N of residue 28
P2536
Atom HH22 of residue 42
P7255
Atom HH21 of residue 42
Atom HZ3 of residue 11
Atom HE of residue 42
P5777
P6741
Atom HD2 of residue 42
P3260
Atom CD1 of residue 73
P2014
P2506
P5749
LEU
P1745
P5744
Atom NH1 of residue 42
Atom CD of residue 42
P6304
Atom CB of residue 42
P7022
P2386
P114
P6493
Atom C of residue 42
P3760
Atom HG2 of residue 1
Atom HB3 of residue 51
Atom HG3 of residue 41
Atom HB2 of residue 41
P5144
P3077
Atom CD of residue 41
P3485
P6056
P6504
P3054
P2381
Atom CB of residue 41
P3920
P4790
P1563
P4342
P7002
GLN
Atom HG3 of residue 40
P6071
P6577
P3053
P3474
Atom HB2 of residue 40
P6069
P3051
Atom H of residue 40
P5172
ASN
GLN
P3038
P2159
P6062
P2613
Atom CA of residue 44
Atom CA of residue 40
Atom HB2 of residue 39
P8350
P43
Atom HB2 of residue 71
Atom CG of residue 39
MD 3
P6048
P3030
Atom O of residue 39
P2592
P42
Atom C of residue 39
P2082
P2597
P1648
P5597
Atom CA of residue 39
P2568
P7041
Atom HA of residue 38
P7045
P3954
P5371
P3612
P6088
ListSingletonContainer565
P6070
P3594
P6538
Atom CD of residue 38
P12333
Atom HD3 of residue 37
P8304
P3890
Atom HD2 of residue 37
P1928
P2554
P1931
P1938
P1828
P6053
P2168
P3577
ListSingletonContainer563
P3885
Atom HA of residue 37
Atom CD of residue 37
P6065
P5554
Atom C of residue 37
P12318
Atom N of residue 37
Atom HD12 of residue 36
Atom HD11 of residue 36
P113
P7019
P8286
Atom HG23 of residue 36
P6484
P7863
Atom OE2 of residue 24
P6040
Atom HB of residue 23
Atom HB of residue 36
P3035
P12814
P7512
P0
Atom HA of residue 36
P7003
P3485
P6038
Atom H of residue 36
Atom O of residue 28
P4148
Atom CD1 of residue 36
P6041
P3037
P4429
P4426
P3034
P4058
P4052
P2
Atom CG2 of residue 23
P8473
P20
Atom C of residue 27
P3829
Atom HG22 of residue 13
Atom H of residue 35
P2606
Atom HD3 of residue 42
Atom H of residue 57
P7786
P136
P4363
P6827
P6809
P4345
Atom O of residue 35
P4267
Atom H of residue 55
P4360
P6824
P6806
P4342
GLY
P4777
P2443
Atom HG3 of residue 34
P4975
P6569
P2992
Atom HB2 of residue 34
P6365
P3351
Atom OE1 of residue 34
Atom N of residue 34
P2263
P5215
P4593
Atom HG2 of residue 33
P4793
Atom HE2 of residue 1
P2283
P4784
Atom HB3 of residue 33
P3166
P2809
Atom HB2 of residue 33
P148
Atom NZ of residue 33
GaussianProcessInterpolationRestraint 28
P6259
Atom HA of residue 33
P2807
Atom H of residue 33
P1670
Atom CD of residue 33
LYS
Atom N of residue 33
P5109
P2615
P4398
P8103
P1343
P8253
P8096
P8258
P3012
P6062
P8099
P3061
P2171
P7203
P2830
P0
P5823
Atom HE21 of residue 31
P5310
P5105
P6301
Atom HG3 of residue 31
P8505
P3315
P2161
P2811
P5344
P2156
P6763
P107
P3303
P5286
P2797
P85
P3637
Atom HD21 of residue 60
P3459
P2152
P86
Atom CA of residue 31
P8533
P2326
Atom CG of residue 60
P2150
P2799
P3424
P30
P6751
P5273
Atom HG23 of residue 30
P8468
Atom HB of residue 30
P2788
P3413
P34
P6740
Atom CG2 of residue 30
Atom CG1 of residue 30
P6594
P1813
P85
Atom N of residue 30
P4465
P3073
P6077
Atom HZ3 of residue 29
P3071
P12850
P7548
P2621
Atom HZ1 of residue 29
Atom HE3 of residue 29
Atom H of residue 76
Atom O of residue 21
P4866
Atom HH12 of residue 72
P6623
P5667
P3532
P3520
Atom HD2 of residue 29
Atom NE2 of residue 49
P8255
Atom HG2 of residue 29
P0
Atom NZ of residue 29
P5394
Atom CB of residue 3
P1850
P5793
P5940
P7828
Atom CB of residue 1
Atom CA of residue 29
P4990
P1905
P8148
P1500
GeneralizedGuinierPorodFunction 62
P5430
P188
P3322
P1924
P9418
P1494
P2957
P6534
P6513
P2936
Atom HB1 of residue 28
P6805
P12617
Atom O of residue 30
P2433
P2095
Atom H of residue 27
P4229
P2837
P3861
Atom HE21 of residue 31
P5840
Atom NZ of residue 27
P8284
Atom CG of residue 27
P5627
Atom HG23 of residue 26
Atom HG13 of residue 26
P7217
P8556
P3773
Atom CB of residue 27
P7651
P83
Atom HG12 of residue 26
P5824
P7297
Atom HG11 of residue 26
P5820
P7215
P3771
P7649
Atom HB of residue 26
P5801
Atom H of residue 26
Model 46
P5616
P5819
Atom HG12 of residue 30
P13496
P7292
Atom CB of residue 7
Atom O of residue 7
Atom CG1 of residue 26
Atom C of residue 26
P3322
P7203
P3759
P7637
Atom HD22 of residue 25
P5810
P2
Atom HD21 of residue 25
P7621
Atom H of residue 25
P5802
P8531
P6244
P3251
P7275
P8252
P5798
ListSingletonContainer333
Atom CB of residue 25
P3748
P7626
Atom O of residue 25
Atom C of residue 25
P7189
P3302
P6763
GeneralizedGuinierPorodFunction 14
P3745
P7623
ASN
Atom HB2 of residue 43
Atom HG3 of residue 24
P8245
P4185
P2793
P3817
P13465
P1
Atom N of residue 25
P12556
P8509
P5792
Atom CA of residue 24
P8508
P7253
GLU
Atom HB2 of residue 28
P6743
Atom N of residue 24
Atom HG21 of residue 23
P2528
Atom HG22 of residue 23
Atom OE2 of residue 24
P5769
Atom HB of residue 23
P3694
P6
P3709
Atom O of residue 23
P7586
Atom C of residue 23
Atom HG23 of residue 22
P8483
GLY
P3698
Atom HA of residue 22
Atom CA of residue 72
P5762
P8451
P6729
P3197
P12017
Atom CA of residue 59
Atom CG2 of residue 22
P6607
Atom O of residue 22
P1704
Atom C of residue 22
P2853
Atom HD21 of residue 8
P6174
P187
P5741
Atom N of residue 22
P3681
Atom CG of residue 21
P6698
P4121
P2729
P3753
P7558
Atom CB of residue 21
P2495
P6172
P6160
Atom O of residue 8
P88
P5707
Atom N of residue 21
P2722
P3823
P8457
P5726
GLU
P7199
Atom CG of residue 8
Atom HG of residue 20
P5898
P1725
P3176
Atom HA of residue 25
P12510
P6685
P3170
P3819
P2718
P7238
P5473
Atom HD12 of residue 23
Atom H of residue 20
P8449
Atom O of residue 20
P6681
P2712
P3736
P33
P2473
Atom HD3 of residue 19
P6143
Atom HB of residue 12
P8451
P6673
P3158
Model 41
P6670
Atom HB of residue 22
Atom CG2 of residue 12
P175
Atom O of residue 19
Atom H of residue 22
P2068
P2701
P12491
P6668
Atom OG1 of residue 7
Atom CG of residue 19
Atom HB2 of residue 56
P1703
P4492
P1702
P7492
P4034
Atom HB3 of residue 8
P5713
ListSingletonContainer359
Atom C of residue 25
P7186
Atom HB3 of residue 18
P1698
Atom HB2 of residue 18
P2004
Atom HB3 of residue 6
Atom HD11 of residue 23
P3637
Atom HB2 of residue 6
Atom HG3 of residue 6
Atom OE1 of residue 18
Atom CG of residue 18
P7158
Atom O of residue 18
Model 271
Atom N of residue 75
P5653
Atom HA of residue 17
Atom H of residue 17
P5666
P6630
P2430
P3115
P6108
Atom CA of residue 17
P3981
P7131
P3607
P6103
Atom HB3 of residue 16
P2419
P7127
P5634
ListSingletonContainer109
P7120
Atom CA of residue 16
Atom HD23 of residue 15
P2412
P7117
Atom HD13 of residue 15
Atom OG of residue 20
P3582
Atom HB2 of residue 15
P7455
P3577
P6073
Atom CB of residue 6
Atom CD2 of residue 15
P7493
P2928
P4351
P6
P8056
P5542
Atom CG2 of residue 14
P4432
P6322
Atom N of residue 14
Atom HD11 of residue 13
P2066
Atom HD2 of residue 29
P10267
Atom HG21 of residue 26
P10258
P1508
P3268
Atom HB of residue 13
P1762
ILE
P4783
P6880
P6868
P1555
Atom HG23 of residue 12
P4981
P2
P2453
P6459
P2927
P7706
P4259
Atom HB of residue 12
Atom CB of residue 12
P3213
P6284
P1812
P6269
P1382
P2816
Atom HE2 of residue 11
P2243
P6148
P6295
Atom HG3 of residue 11
Atom HG2 of residue 11
P6408
Atom H of residue 11
P5193
Atom CE of residue 11
P5862
Atom CG of residue 11
P8441
Atom CD2 of residue 69
Atom HD1 of residue 68
LYS
P7503
Atom HA of residue 54
Atom N of residue 11
Atom HA3 of residue 10
P9722
P7107
P9707
P59
P5005
P6601
P6441
P1729
Atom O of residue 75
P6440
Model 152
P2563
P1944
P3973
P3521
P3899
Atom HB of residue 9
Atom OG1 of residue 9
P8475
P3461
P2534
P6457
P3455
P5945
ListSingletonContainer224
P6901
Atom HD22 of residue 8
Atom HD21 of residue 8
P7401
Atom N of residue 21
Atom C of residue 21
Atom HB3 of residue 8
Atom CA of residue 8
P6422
P5910
Atom HA of residue 22
P5710
Atom C of residue 30
Atom HG2 of residue 33
Atom HG21 of residue 7
P6349
Atom HA of residue 34
P6865
P12677
Atom CG of residue 33
P5934
Atom C of residue 7
P8427
P5894
P5874
Atom HZ3 of residue 6
Atom HZ2 of residue 6
Atom H of residue 18
Atom HE3 of residue 6
P6852
Atom CD of residue 18
Atom HD2 of residue 6
Atom HG3 of residue 6
P5884
P7356
ASP
P104
P8329
P3330
Atom HB2 of residue 6
P5878
P5876
P3824
P3818
P7349
P8321
Atom CG of residue 6
P2126
Atom H of residue 17
P5871
P7350
P3819
Atom CG2 of residue 17
Atom O of residue 6
Atom HG23 of residue 5
Atom HG22 of residue 5
P8301
Atom HG11 of residue 5
P4958
P8116
P8480
P1371
P2965
P4388
P8093
P6156
P3152
Atom C of residue 33
P13439
P4110
Atom CA of residue 16
P6130
ListSingletonContainer231
Atom CZ of residue 4
P6769
P8148
Atom HG of residue 57
P8145
P6766
P3320
P2604
P13370
Atom CE1 of residue 4
P2998
P6575
P1415
P6566
P2989
Atom CD1 of residue 4
P5943
P1550
P6449
Atom CG of residue 4
P3165
Atom O of residue 4
Atom C of residue 4
P2210
P2489
P4507
P6711
ListSingletonContainer107
P1795
P5753
Atom HG12 of residue 3
P6689
P7650
Atom HB of residue 3
P5056
P2560
Atom CG2 of residue 3
ListSingletonContainer394
P3492
P2385
P3072
P12312
Atom CB of residue 3
P5964
Model 154
Atom OE1 of residue 2
P2770
P5775
P5058
P7517
P4599
Multivariate Normal distribution 28
Atom HG3 of residue 1
P1479
Atom CB of residue 1
MD 0
Covariance1DFunction 81
P8264
Atom CA of residue 1
P2164
P5096
P113
P5099
P6295
PairScore 4
Model 392
P2624
P1910
P7563
P1979
P8492
P7123
Model 391
P7241
P7693
PairsRestraint 3
P1798
P4253
GridCPF
P2478
P7
PairPredicate 1
Atom C of residue 56
P5410
P5523
P5474
P2255
AngleSingletonScore1
P7900
Atom O of residue 3
P8562
PairPredicate 0
P4893
P7610
P2377
Atom H of residue 46
Atom HD21 of residue 73
P5862
P4190
Restraint 90
P8560
P4193
P5860
P4189
P4186
P7870
ListSingletonContainer15
P8555
Atom N of residue 3
Atom HZ of residue 45
P8553
P7888
Atom HB1 of residue 46
P8550
P8545
Model 138
ILE
P8543
P8539
P7856
P4172
P5841
P8540
P5833
GaussianProcessInterpolationRestraint 23
P5981
P7605
P8484
P7593
P5979
P4179
P7863
P7842
P4158
P2003
P1884
Atom HE22 of residue 31
P8529
P1874
P1993
Atom HG2 of residue 31
P5825
P8524
P5957
P7571
Atom O of residue 2
Atom HB of residue 44
P4175
P7859
P8522
P4154
P8476
P4
P5823
Atom HA of residue 3
P4857
P4421
Atom HD11 of residue 44
P8518
Atom HG22 of residue 44
P8516
P2343
P5807
P8513
P5805
P8505
P4136
P4845
P8504
P4127
P5287
GLN
P4824
P5781
Atom HG21 of residue 23
P7866
P6487
P7505
P7
P12810
P7508
Atom HG21 of residue 36
P2736
P7528
P8808
P4813
P8473
P7525
P5911
P5909
Model 371
P7771
P8462
P4079
P4786
P8463
P7791
P2291
Atom CB of residue 9
P4361
P8461
P8460
Atom N of residue 2
P8459
Atom HG3 of residue 2
P5749
P8458
P8450
P2279
Atom CA of residue 113
P1804
Atom CB of residue 3
P8448
P4082
P7774
P4061
P8446
P8440
P8768
P4774
P5877
P4042
Atom N of residue 76
P8426
P8422
P2255
P8421
Atom H of residue 76
P5708
P8419
P5703
Atom CB of residue 13
P8414
P8413
P2247
P8405
P7732
P8403
P5690
P8402
P7700
P5175
Model 369
Atom HA2 of residue 47
Atom HD12 of residue 73
P5826
Atom HG22 of residue 14
Atom HG23 of residue 70
P8384
P3994
P8323
P7435
P1737
P5819
P5810
P8392
P7701
P2216
P3991
P8380
P7432
Atom CA of residue 71
P8377
P3989
P7430
P2652
P8326
P8706
P4712
P2217
P5661
Atom SD of residue 1
P8375
P8374
P7698
P8141
Atom HB3 of residue 6
Atom CA of residue 46
P3983
P5149
Atom HD3 of residue 72
P8366
P10958
P5656
P5638
P1312
P8365
Model 359
P8357
P8356
P7681
P8355
P8354
P8352
P3958
P1708
P8351
P5226
Atom HA of residue 6
P8350
P5131
P3955
P5779
P4680
P5129
P3953
Atom HG22 of residue 44
ScoreState 18
P8337
P2171
Atom CD1 of residue 71
P3941
P5763
P4222
P8330
Atom CB of residue 7
P2173
P4662
P5613
P8095
P8328
P7369
P7707
P40
Atom HB2 of residue 18
Atom HG3 of residue 18
Atom N of residue 7
P5109
P5757
P8318
P3924
P2160
P8075
P8315
P8314
P8313
P4196
P8073
ScoreState 17
Atom C of residue 4
P5580
P3904
Atom HA of residue 69
Atom CE2 of residue 4
P1655
P8294
P1428
P4625
P5728
P4627
P7617
P8292
P5076
P8291
P8051
P5574
P4173
P7609
P8050
P1
Atom HB3 of residue 15
Atom HD12 of residue 43
P5989
P2124
P8045
P5568
P0
P8279
P5993
P7326
P5712
P4606
P8273
P4604
P2116
P8272
P2115
P7574
P3878
P8031
P8271
P1784
P5682
P5661
P8265
P3891
P7587
P4595
P1
P8261
P8257
P3881
P7577
P8254
P5533
P8031
P6
P5314
P6179
Atom HG2 of residue 1
P6563
P8243
ModelScoringFunction7
Atom CG2 of residue 70
P8238
P0
P6555
Atom CA of residue 70
P1974
P4587
Atom HH21 of residue 54
P8233
P4714
P1494
P4216
Atom OG of residue 65
P4211
P8214
P8212
P8209
P8206
P0
P8197
P4730
P7
P4733
P2411
Atom C of residue 11
P2
P8196
P8195
Atom NH2 of residue 74
P8194
P1458
P8193
P7149
Atom NZ of residue 63
Atom HG3 of residue 6
P6515
P8189
P2097
P8188
P4804
P1451
P8187
P8186
P6508
Atom C of residue 63
P8182
P6507
P8181
P8179
P6502
P8176
P2109
P7657
P8178
P3
P8175
P7695
P2083
P8173
P8171
P4807
P8169
P8165
P2097
P7128
P1430
P2102
P8163
P7680
P2069
P7652
P1
P29
P2959
Atom HG13 of residue 61
P2083
Atom CB of residue 72
P2958
P1414
Atom N of residue 7
P2955
Atom CG2 of residue 61
P1727
P6463
P6669
P3224
P2050
P4064
P2038
P3170
Atom HA of residue 71
P8086
P2880
P2879
P2876
P1336
P8065
Atom HD1 of residue 68
ASP
Atom HD23 of residue 71
P2874
P1335
Atom HD22 of residue 71
P2008
P1686
P1951
P1947
P4161
P4550
P2872
P4160
P4549
P1333
P2871
P8139
Model 83
P2005
P2870
P416
P182
P2290
P6187
Atom HD2 of residue 33
P2869
P2867
P8056
P2865
P2864
P4678
P1319
P7024
P8053
P2861
P2688
P6375
Atom HD12 of residue 69
Atom CD2 of residue 56
P2860
P2859
Atom CG of residue 56
CHARMMStereochemistryRestraint8
P1933
Atom CA of residue 71
P8046
P2856
P296
P1991
Atom CA of residue 56
P2855
P2852
P2851
Atom N of residue 70
Atom HG21 of residue 55
P2850
P2847
P2846
P4651
P6997
Atom H of residue 55
Atom HD21 of residue 69
P2845
P2844
Atom HG21 of residue 17
Atom HG22 of residue 66
P7486
P1919
P2842
P6994
P2841
Atom NE2 of residue 40
P291
P7519
P3108
P2656
P6351
P13137
P7971
P13234
Atom O of residue 63
P3456
P7847
P4843
P7421
P3850
P7873
P4331
P7329
P7323
P4325
P4400
P2647
P7838
Atom HG21 of residue 44
P3813
P1837
P3812
P3811
P7310
P4312
P4386
P2633
P7824
P7823
P13396
P1827
Atom CB of residue 22
P1832
P7822
Restraint 102
P7821
P7820
THR
P7819
P7818
P7817
P7816
P2
P7815
Atom CD2 of residue 59
P1313
P7814
P1
P145
P7813
P2
P7812
Atom CB of residue 43
P7808
P143
P7807
P7806
P13385
P7805
P2886
Atom HD12 of residue 56
P2609
Atom HH12 of residue 42
P142
Atom HD11 of residue 56
P7804
P7803
Atom HA of residue 48
P7802
Atom CE of residue 48
Atom HB3 of residue 42
P141
P7801
Atom OD2 of residue 58
P7800
Atom HB3 of residue 56
Atom HD2 of residue 42
P140
P13378
P7798
P7796
P1332
P139
P7795
P7794
P3316
P7791
P137
P7789
P7788
P7787
P7785
P7784
P7783
P7782
P7776
P7775
P7773
P13045
P7249
Atom HH12 of residue 54
P2852
P6740
P7769
P2851
P2849
P6731
Atom CE of residue 6
Atom HG23 of residue 44
P13042
P2847
P13041
P1320
ListSingletonContainer578
P2846
P2070
P2063
P6790
P4326
P7250
P177
P2845
P2844
P6732
P7761
P2842
P7758
P7756
P2838
P7755
P0
P2837
Atom HB2 of residue 40
Atom HG3 of residue 40
Atom H of residue 44
P7754
P7753
P5453
P8995
P2482
P1969
P2835
Atom CD of residue 54
P2834
P7751
P2833
Atom CG2 of residue 55
P2832
P7749
P2830
P0
P4230
P4224
P7746
P2828
P7745
Atom CA of residue 27
P7744
P4323
P6787
P170
P4305
LYS
P7743
P4229
P4223
P7742
P4228
Atom H of residue 53
P4222
P7741
P2823
P7740
P4226
P4220
P7739
P4225
P4219
P7738
Atom OD2 of residue 39
P3
P4218
P7737
Atom HG3 of residue 54
P6252
P8087
P2812
P7729
Atom CB of residue 43
P7728
P7727
Atom O of residue 52
P54
P7726
P7725
Atom CA of residue 43
P79
P7724
P7715
Atom N of residue 42
Atom HH22 of residue 42
P7721
P7718
P7717
P2029
P7714
P7712
P7711
P7706
Atom HA of residue 37
P7705
P7703
P51
P7700
P13094
P7697
Atom N of residue 20
P7696
P7695
P7693
Atom HB2 of residue 41
P7691
Atom HE21 of residue 2
P7688
Atom HB2 of residue 51
P13086
Atom O of residue 50
P7686
Atom HG13 of residue 36
Atom CD of residue 41
LEU
ListSingletonContainer362
P7684
Atom CD1 of residue 36
P7683
ListSingletonContainer376
P13079
P7681
P7680
P7679
Atom CA of residue 36
Atom HG2 of residue 40
P48
P7678
P7689
P7168
P7677
P147
P3719
P7163
P140
P7676
P13072
P7674
Atom HD23 of residue 50
P7673
P7672
Atom CA of residue 35
Atom NE2 of residue 40
P7668
P150
Atom N of residue 35
Atom CB of residue 64
P7666
P7664
Atom O of residue 9
P6169
P149
Atom HB3 of residue 34
P7663
P7661
P12965
P4144
GLU
P7658
Atom HD2 of residue 48
Atom HG23 of residue 17
P7655
P7654
P5358
Atom N of residue 12
P5355
P13052
P7652
Atom HZ3 of residue 33
P7648
Atom HA of residue 49
P8
Atom HE3 of residue 33
Atom CG of residue 48
P7136
Linear1DFunction 7
P2417
P6308
P253
P5293
Model 140
Atom HE2 of residue 33
Atom CG1 of residue 17
P7644
P7643
P7
P13448
P7642
Atom HG3 of residue 33
P7640
P7639
P7638
Atom HB2 of residue 33
P7637
P7636
P7633
P46
P4272
MET
P7632
Atom HA2 of residue 10
P7629
P7627
P4181
P7865
P7844
P4160
P5829
Atom CD2 of residue 45
P7623
P7622
P7617
P32
Atom HD13 of residue 15
P7615
P8854
P2354
P4169
P7853
P4148
P8462
P5817
P13428
Atom CZ of residue 45
P7606
P12906
Atom CD1 of residue 45
P5929
P7603
P5928
P7602
P6644
P5926
Atom NE2 of residue 31
P7600
P2680
P7597
P3562
P68
P7596
P6638
P5917
P102
P5920
P12896
P7594
P13358
P7076
P4066
P6635
Atom HA of residue 14
P6634
P5925
P1913
P5916
P4203
Atom O of residue 14
P26
P12892
P7590
P4159
P7843
P8508
P6633
P5915
P12891
P7589
P4835
P1851
P4125
P1845
Atom O of residue 29
P6632
P5914
Atom CD2 of residue 45
Atom CG of residue 42
P12890
P7588
P6630
P5912
P13348
P7586
P129
P6629
P5911
P8427
P6628
P1899
P5910
Atom CD1 of residue 15
P4224
Atom CB of residue 61
P7584
P6626
P6617
P8417
P5908
P7582
Atom HB2 of residue 45
P4061
P7071
Atom HD12 of residue 13
Atom CG1 of residue 44
P7104
GLU
P2065
P107
P6624
P5906
Atom CB of residue 44
P7580
P5904
P13340
P7578
P3102
P8540
P7577
P6620
P5902
GaussianProcessInterpolation31
P7576
P6619
P5901
P7575
P6618
P5900
P7574
PHE
Atom HG of residue 43
Atom HB3 of residue 43
P7566
Atom HA of residue 43
P7564
P7563
Atom O of residue 11
P7086
Atom HA of residue 2
P7565
P5
Atom HZ3 of residue 27
P7562
P3086
P8524
P6094
P3090
P4482
Atom HD11 of residue 44
P7561
P7560
P38
P7558
Atom HD3 of residue 29
P7557
Atom HB of residue 44
P4036
P7046
P7
P4030
Atom HG23 of residue 7
Atom C of residue 43
P7555
P6061
Atom HG2 of residue 29
PairScore 3
P7554
Atom HE3 of residue 11
P0
Atom HH22 of residue 42
P3076
Atom CG2 of residue 44
P4321
P4319
P1556
P2264
P6026
Atom HB2 of residue 40
P7498
Atom HB of residue 22
P12799
Atom NE2 of residue 40
Atom HG11 of residue 26
P6970
P4097
P5822
P4110
Atom HG1 of residue 22
P7495
Atom OG of residue 65
P5820
P7494
ListSingletonContainer208
P5817
P7491
P5816
ListSingletonContainer223
Atom C of residue 41
P8457
Atom H of residue 42
P7490
P3532
Covariance1DFunction 92
P5815
P5814
P8454
ListSingletonContainer342
Atom NH1 of residue 42
P7488
P5812
P3464
P3455
VAL
P5811
P6014
P6448
Atom N of residue 22
P2564
P7485
P7483
P12785
Atom H of residue 39
Atom HB2 of residue 25
Atom HB2 of residue 42
Atom CB of residue 41
P7833
P2563
P5
P7481
P7832
P2562
P6
P7480
P7829
Atom CB of residue 21
P2559
P7477
Atom HE22 of residue 40
P7828
P2558
P7476
P7473
P146
Atom N of residue 21
P2551
P7471
P7470
Atom HB3 of residue 20
P7469
P8435
P7468
Atom CB of residue 20
P6955
SER
ListSingletonContainer203
P58
Atom O of residue 20
P8430
P3937
P3931
P7462
P5988
P7459
P2982
P4083
Atom HA of residue 20
P7809
P12761
P8260
P5986
P5981
P1936
P7372
P5984
Atom HB3 of residue 39
Atom HA of residue 24
P6425
P5982
P7455
P3
P5983
P3932
ListSingletonContainer338
P7454
P7452
P5980
P8345
P7450
Atom HD11 of residue 50
P5978
P1933
P5775
Atom HA of residue 19
P7449
P5773
P5772
Atom CG of residue 37
P7446
P2632
P5652
P4266
P8371
P7437
P7419
P7415
P6905
P12717
Atom O of residue 35
Covariance1DFunction 91
P7412
P6902
P12714
GLY
Atom N of residue 9
Atom N of residue 35
P7411
GLU
P7410
P7409
P1905
P13606
P7408
P13614
P3885
ListSingletonContainer371
P7407
P8343
P13572
P7371
P6411
Atom H of residue 30
P5899
P3847
LYS
P7370
Atom CG of residue 34
Atom NZ of residue 29
P13568
P7368
P7367
P13567
Atom HG2 of residue 29
P7366
ListSingletonContainer263
P7358
P7357
P8328
P7708
Atom O of residue 29
P7355
P7354
P7706
P7353
P3328
P7351
P5877
P3825
Atom HG3 of residue 31
P5877
P5875
Atom C of residue 29
P3823
Atom CD of residue 6
P5876
P3822
ModelScoringFunction19
P5874
P5872
Atom N of residue 29
P0
P3820
P3814
P7345
P1629
P5984
P7317
P7342
P2121
P5986
P7319
P7340
P7339
P5833
P7306
P5815
Atom O of residue 27
P5661
P7
P7334
P95
Atom HG3 of residue 16
P5839
P8306
Atom CG of residue 42
P7333
P8557
P7332
P5837
P8305
Atom HB2 of residue 32
P7331
Atom HB2 of residue 16
P7330
Atom OE2 of residue 16
P7329
P4
P7328
Atom O of residue 32
P13530
P7327
Atom HG11 of residue 17
P5853
P7326
P7325
P5850
P7323
P7676
Atom HE22 of residue 31
P5849
GLU
P5825
P90
P7322
P5848
P7321
P5847
P7320
P5846
P7319
P5842
P7315
P7311
P12612
P7310
Atom HD3 of residue 27
P5593
P1339
P3778
Atom HZ2 of residue 29
P5835
P5811
ListSingletonContainer380
P3912
Atom C of residue 27
P2811
P8544
P8372
P2073
P2410
P6816
P2071
Model 285
P3764
P7287
P1356
P82
P3262
P7286
P8261
P7285
P6250
P3257
Atom C of residue 14
P7281
P6249
P3256
Atom HA of residue 25
P7280
P6246
P3253
P198
P7272
P7
P7271
Atom HG13 of residue 13
P3
P7270
P2054
Atom HG21 of residue 30
Atom H of residue 30
Model 279
P7269
P7267
P2763
P3864
P3861
P2760
P3843
P2742
Atom CG2 of residue 23
P8519
P7265
P5785
P2537
P5
P7262
Atom CG of residue 24
P1752
P7252
P7250
P5752
ListSingletonContainer131
P6746
P3285
P7246
P6678
P7184
P1977
P5507
P6672
P3157
P5503
P8440
P8464
P7461
P8461
P1680
P5501
Atom HG23 of residue 23
ListSingletonContainer119
PRO
P8434
P5499
P173
P7306
P2306
P5497
P5496
Atom HG12 of residue 70
P5495
P2453
P8426
P5489
P1962
P7165
P5692
P7163
P6660
Atom HG21 of residue 70
P5691
P7162
P5661
Atom HG2 of residue 16
P5690
P8422
P6641
Atom CA of residue 23
P7161
P7885
P1665
P2047
P5688
Atom CD of residue 18
Atom HA of residue 6
P5687
P5685
Atom N of residue 22
P168
P4004
Model 280
P7156
P8415
P4001
P7153
P5681
P2442
P5655
Atom HG11 of residue 17
P2439
P66
P8412
P7152
P5474
P1948
P7150
P5678
P7149
P6646
VAL
P5677
P7148
P7462
GLU
P5676
Atom HB of residue 17
P6627
Atom CA of residue 21
P7147
P5675
ListSingletonContainer114
P25
P8406
P7146
P5672
P7143
P5671
P2040
P5670
P5673
P2033
P6620
P7141
P5669
Atom C of residue 9
P6619
P7140
P5668
P8400
P6179
P5667
Atom HH12 of residue 74
P7135
P6105
Atom CA of residue 23
P5636
P2422
P7130
P7854
P5383
P2341
P5377
P7128
Atom CA of residue 69
P5656
P5655
P7126
P2018
GeneralizedGuinierPorodFunction 11
P7125
P7124
P7123
P7121
P2257
P1919
P2405
P2004
P7110
P7109
P7107
P1905
Atom CD1 of residue 15
P7104
P7102
P2625
P1904
P3649
P5427
P7096
P4869
P5621
P2232
P5621
P3062
P7092
P1994
P2616
P6116
P3640
P3945
P7091
P5619
P3999
P5416
P7090
Atom CB of residue 67
P2229
P5618
P3998
P7089
P5615
P3995
P5412
P7086
P5613
P3993
P5410
P6109
P3633
P7084
P6602
P1975
P5611
P5
P3991
P5408
P7082
P5609
P3989
P5406
P6105
P3629
P7080
P1982
P5608
P1986
P3988
P5405
P7079
P5606
P3986
P5403
P6102
P3626
P7077
Atom HG3 of residue 37
P5602
P1878
P5605
P3985
P3973
P1972
P5402
P6101
P3625
P7076
P5604
P6997
P3984
P5401
P6100
P3624
P7075
P5601
P6565
P8360
P3981
P5398
P6097
P3621
P5407
Atom O of residue 66
P3978
P5395
P3636
P6112
P6103
P3627
P2213
P6094
P3618
P7075
P7012
Model 114
P2475
P1579
P8290
P3976
P3634
P6110
P7067
Model 258
P5404
THR
P5392
P6091
P3615
P7066
P8289
P3974
P5391
P3632
P6108
P6090
P3614
P7065
Atom N of residue 65
P5390
P7064
P3972
P5389
P7063
P2392
Atom HD13 of residue 36
P6552
P3971
P5388
P7198
Atom HB2 of residue 65
P6087
P3611
P7062
P3970
P3958
P1958
P5387
P6086
P3610
P7061
P8283
P3968
P5385
P6084
P3608
P3916
P7059
P3965
P5382
P3623
P6099
P6081
P3605
P3913
P7056
P3622
P6098
P1952
P6080
P3604
P7055
P6544
P5380
P3924
P6547
Atom N of residue 33
P6079
P3603
P7054
P7060
P1565
P3961
P2198
P5378
P3619
P6095
P6077
P3601
P7052
P3960
P5377
P3609
P6085
P2197
P6076
P3600
P7051
P3959
P5376
P8282
P3617
P6093
P6075
P3599
P7050
P5375
P6572
P1947
P7049
Atom N of residue 41
P3957
P5374
P8281
P6073
P3597
P7048
P3955
P5372
P6071
P3595
P7046
P3953
P1
P5370
Atom O of residue 38
P7044
P7040
P2326
P7045
P1551
P7173
Atom CA of residue 64
P6062
P3586
P7037
P6061
P3585
P3602
P6078
P6060
P3584
Model 260
P7035
P6058
P3582
P7033
P6056
P3580
P7031
P7421
P6996
ListSingletonContainer243
P2975
P3796
P6927
P1
P2304
P2969
P6921
P2967
P6919
P11
P12222
P2477
P2956
ListSingletonContainer102
P6918
P3391
P3385
P6917
P0
P3390
P12
P4207
P1437
P2963
P6824
P1810
P6915
P2962
P6914
P2961
P2972
P8243
P2960
P6912
P6911
Atom HG2 of residue 37
P2958
P158
P3780
P6909
P6908
P2955
P6907
P2954
P6906
P139
P2952
P6904
P2280
P2950
P6902
P6908
P2948
P2951
P135
P6900
P2946
P6898
Atom HD11 of residue 36
P2458
P2945
P6897
Restraint 98
P2943
P6374
P6895
P2455
P2942
P6373
P6894
P2275
P2937
P6368
P6889
P5417
P2936
P6879
P1
P6367
P6888
P2272
P2934
P3751
P6877
P2
P6365
P6886
P6893
P6376
P2933
P2932
P2930
P6361
P6882
P5212
P6375
P2929
P2928
P2262
P6892
P6371
P6880
P6370
P3312
P2925
P2259
P5409
P5203
P3741
Atom NE2 of residue 31
P2922
P3547
P2
P3748
P6874
P2921
P6873
P2920
P6872
P2919
P6883
P6362
P6802
Model 218
P6871
P2917
P6869
P2256
P2916
Atom HG11 of residue 5
P6868
P2248
P6867
Atom HD2 of residue 54
P5190
P8560
Atom HG13 of residue 5
P2914
Model 225
P6866
P2913
P6865
P2912
P6864
P2908
P6860
Atom HD22 of residue 15
ListSingletonContainer106
P2904
Atom H of residue 56
P6856
P2903
P6855
P182
P2243
P2902
Atom HD11 of residue 56
P6854
P3287
P12107
Atom CZ of residue 54
P2900
P8540
Atom HB3 of residue 51
P5894
P2899
P6851
P6850
P2233
P6848
P2230
P3722
P6845
P6844
Atom HG21 of residue 12
P3719
P6842
P9890
P5440
P2407
P6841
Atom HD13 of residue 36
P6848
P8124
P4130
P1363
Atom CA of residue 51
P8377
P5326
Atom HB3 of residue 21
P6838
P6837
P6836
P6832
P5874
P2879
P2396
P6831
P6830
P5871
P2876
P6828
P9857
P2213
Atom HH21 of residue 54
P3698
Atom HH11 of residue 54
P6826
P1349
P6754
Model 254
P6823
P6822
P6820
P6819
P6818
P1324
P2381
P3509
P5412
P6812
P8390
P6811
P2375
Atom HB2 of residue 15
P7227
P2854
P6806
P6803
P49
P3677
Atom N of residue 54
P6801
Atom H of residue 53
P7221
P2848
P6800
P6798
P6797
P2182
P3489
P5392
P3674
P6792
P6791
P7211
P2838
P6790
P3486
P5389
P3671
P6789
P6787
P2174
Atom HB2 of residue 52
P6785
P50
P3477
P5380
P1
P6780
P6778
P2349
P91
P6777
ListSingletonContainer77
P6775
Atom C of residue 52
P2346
P6774
P7193
P2820
P6772
P3468
P5371
Atom HG2 of residue 51
P6771
P9798
ListSingletonContainer177
Atom CG of residue 1
P6770
P4
P3466
P5369
P8550
Atom HG12 of residue 30
P6769
P8549
P6766
P6214
Atom OG1 of residue 22
P6290
P2091
P5781
P109
Model 247
P6759
P2806
P6761
P0
P6758
P8525
P2802
P5332
P2145
P2801
P6753
P2798
P3423
P65
Atom CB of residue 60
P6750
GLU
P5309
P3604
P3183
P12003
Atom CA of residue 58
P2147
P2796
P6748
ListSingletonContainer74
P2795
P6747
P2794
P2793
P6745
P8474
Atom HH of residue 59
ListSingletonContainer148
P2792
P6744
P2791
P2317
P2789
P6741
P2787
P3626
P6739
P35
P2785
P6737
P5339
P9779
P7164
Atom HB3 of residue 59
Atom HA of residue 59
P6736
P5335
P2783
P6735
P2780
P6732
P5331
ListSingletonContainer73
P2779
P6731
P5330
P2778
Atom HE3 of residue 1
P6730
P3426
P5771
P9769
P7154
P6728
P63
P8511
P6727
P6725
P6215
P4
P1807
P5322
Atom CD2 of residue 59
P6722
P6639
Atom CD of residue 34
P8450
P3196
P5253
P3628
P6719
P6715
P3603
P6714
P6713
P6857
P2288
Atom CD of residue 16
P6712
P6709
Atom N of residue 58
P12009
P6707
P6706
P6704
P1998
P7430
P4446
P4428
P6712
P133
P8487
P1797
P7127
P2281
P6702
Multivariate Normal distribution 33
Atom HA of residue 14
P3610
P1659
P62
P6701
P1802
P8485
P6699
P6698
P6697
P3604
P6695
P6840
P2270
P6692
P6691
P9728
P7113
Atom CA of residue 3
P3577
P6685
P6684
P6680
P6679
P1766
P1
P6678
P6677
P6676
P8305
P6675
P6674
P6667
P6666
P5003
P1626
MolecularDynamicsMover5
P6665
P3558
P6664
P1752
P6663
P6661
P1620
P5192
P6659
Atom HB3 of residue 62
Atom HA of residue 62
P2238
P6657
P6656
P8281
P6652
P3545
P6650
P7852
P6648
P6647
P8274
P1753
P5245
P2
P6645
P6644
P6642
P6640
P6638
P6637
ModelScoringFunction3
P6635
P6634
P8263
P4348
P4982
P7835
P6631
P6630
P3526
P6629
P6627
P6626
P6625
P6622
P2657
P5149
P6619
P6110
P1716
P2667
P1709
P2202
Model 239
P6617
P6616
P5215
P6615
P3509
P6610
P6608
P3506
P6607
Atom HB3 of residue 41
P3156
ListSingletonContainer495
P6606
P2192
P3153
MolecularDynamicsMover4
P6603
P3485
P8264
P6591
P6589
P6588
P6587
P3833
Atom HH22 of residue 74
P6586
P6584
P6583
P2622
Atom OG1 of residue 14
Atom HG2 of residue 40
Atom HB of residue 3
P6581
P3817
P8424
P1542
P49
P8423
P3127
P3487
Atom OE1 of residue 64
P5111
P4905
P6578
P5618
P2624
GLY
P3047
P9602
P1666
P2161
P5607
Atom HE22 of residue 2
P6042
P6563
P6041
P6562
Covariance1DFunction 36
P6040
P6561
P6558
P3032
P9587
P1652
P6556
P8399
P6565
P6044
P3457
P6553
P6977
P2145
P6564
P6043
P6552
P6974
P2142
P6549
P11845
Atom HD3 of residue 38
P6548
P6547
P6546
Atom CD1 of residue 13
P6545
P6538
P3441
GaussianProcessInterpolation19
P6535
P0
P11835
P6533
Atom C of residue 74
Atom CG of residue 68
P3438
P6532
P6531
P6528
P6527
P1624
P6526
P6525
P6522
P6520
P6519
Atom HG of residue 67
P1
P4
P6518
P6517
P6516
P6432
P6429
P5042
P1
P6512
P6431
Atom C of residue 36
P6428
P5041
P1610
P6511
P5043
P6430
P5040
P6510
P1792
P5109
P5552
Atom N of residue 36
P5038
P5108
P1623
P8303
P5551
P6508
P1788
P5999
P3203
Atom N of residue 67
GaussianProcessInterpolationRestraint 31
P5034
P5547
P2501
P6504
P5032
P5545
P11804
P6502
P5995
P3199
P6501
P3048
P1775
P6408
Atom HG3 of residue 19
P5993
P3197
P6499
P6010
P6
P5987
P4819
P3191
P6493
P6492
P3731
P4840
P2963
P2957
P6489
P2962
P2956
P6488
P2955
P6487
P2960
P2954
P6486
P8278
P2952
P6484
Atom N of residue 32
P5973
P1581
P6485
P2953
P2947
P6479
P3274
P4756
P6903
P1763
P6482
P2950
P2944
P6476
P2539
P2942
P6474
P2941
P6473
P0
P2940
P6472
P6477
P2945
P11773
P2939
P6471
P5065
P1573
P5053
P5508
P5958
P1567
P2933
P6465
P1749
P5063
P6469
P2937
P5062
P5050
P5505
P6468
P2936
P2930
P6462
P5058
P8216
P5501
P6464
P2932
P5057
P2523
P8215
P5500
P8214
P5499
P3157
P9485
P4
P2520
P8212
P1739
P11754
P3366
P1737
P6452
P11752
P6450
P11746
P6444
P4765
P6434
P3343
P6427
P1923
P1493
Atom HA of residue 28
P1723
P4955
P6851
P6425
Atom HB2 of residue 29
P4
P5915
P5903
P6424
P5914
Model 192
P5902
P6423
P5913
P5901
P6422
P1544
P3118
P5909
P6418
P5911
P2422
P5908
P6417
P2889
Atom HG12 of residue 26
P5907
P5906
P6415
Atom HB of residue 26
P5905
P6414
P481
P6411
P2380
Atom HD2 of residue 27
P6410
P6421
P5900
P6409
P477
ListSingletonContainer435
P6420
P5899
P6408
P6419
P5898
P6407
P1509
P6403
P6402
P2874
P6400
P2406
P6399
P6397
P6396
P4994
P2467
P6395
Atom H of residue 4
P6393
P6392
P8561
P6390
P6389
P2859
P3304
P6384
P3301
P6381
P6380
P467
P6378
P1915
P2453
P6805
P1492
P8552
P1913
P1483
P2849
P4921
P3017
P6270
Model 186
P1390
P2953
P5299
P8014
P8421
P2804
P2341
P6256
P2952
P2803
P6255
P6606
P3119
P2
P6180
P2876
P6178
P3005
P1884
P1882
P1889
P7929
P8211
P2197
P5
Atom CB of residue 11
P5218
P6093
P2201
Model 177
P1477
P6597
P6090
P2198
P6315
P8204
Atom C of residue 48
P8205
P6168
Model 176
P6165
P6163
P2252
Atom CB of residue 25
P8195
P6171
P5650
P6159
P1837
P8194
P11459
Atom O of residue 12
P6157
P1461
P6154
Atom OD1 of residue 25
P2246
P6151
P367
P6149
P6147
P6143
P1449
P8335
P1447
P6142
P2172
P6141
P5183
P8176
P362
P8334
P6140
P5180
P3080
P6137
P3077
P6134
P6377
P3825
P6133
P6132
P6130
P6129
P4728
P4
P8322
P6127
P1433
P6124
P6123
P6122
P6121
P2217
P357
P6119
P6118
Model 172
P6117
P2214
P6116
P2984
P4407
P2972
Atom CB of residue 13
P8310
Atom CB of residue 51
P6115
P6114
P3059
P1421
P1419
P6112
P6110
P8143
GeneralizedGuinierPorodFunction 53
P8302
P6107
Atom CA of residue 47
P8142
P6106
P3051
P6105
P8300
P6104
P6103
P8137
Atom N of residue 47
P11414
P6101
P8133
P1407
P11399
P1405
P6097
P2561
P6094
P8129
P2560
P6093
P8128
P2562
P6095
P6086
P343
P3
P2559
P6092
P8126
P2999
P4422
P6096
P2563
P2557
P6090
P2178
P8122
P8121
P6091
P2558
P6085
P8120
P9121
P8278
P2
P3032
P6084
P2175
P8119
P3044
P5577
P6083
P8118
P11386
P1393
P8117
Atom CA of residue 47
P6081
P8116
P6080
P8273
P6079
GeneralizedGuinierPorodFunction 52
Atom CD2 of residue 45
P8114
P8113
P8272
P5597
P5984
P1
P6077
P8112
P6076
P8111
P8110
P8497
P2983
P4406
P4403
ListSingletonContainer38
P6074
P6073
P8105
P8299
P8108
P6072
P8107
P6071
P8106
P6070
P8103
P11374
P8257
P11362
P7825
P11371
P1379
P1377
P6067
P9101
P5107
P2609
P11365
P8249
P6063
P8080
P6044
Atom CB of residue 7
P6042
P8077
P2146
P6041
P8076
P6040
P2737
P6039
P2107
P8072
P6036
P8071
P6035
P4634
P11338
P1346
P6034
P8069
P6033
P2129
P8068
P11336
P1344
P6032
P8067
P6031
P8066
P2983
P6030
P8064
P6028
P8063
P2544
P2980
P6027
P8062
P6026
P8061
P6025
P8060
Atom CA of residue 88
P6024
Atom HB2 of residue 4
P8059
P1482
P9072
P2130
P6023
P8057
P6021
P8056
P4620
P1334
P6020
P8054
P6432
Atom HA3 of residue 75
Atom CG2 of residue 92
P6018
P8053
P6017
P309
GeneralizedGuinierPorodFunction 50
P6016
P8048
P6012
P7732
P8047
P8045
P1828
P2528
P2964
P6009
P8044
P8043
P6007
P1816
P8042
P6006
P8041
P6431
P6005
P8040
P6430
P6004
P6425
P8038
P6428
P6002
P8036
P6147
Atom CD1 of residue 3
P8035
P5999
P8032
P5996
P8031
P2951
P5995
P8030
P5994
P5991
P6137
Atom HG22 of residue 23
P5990
P4318
P5988
P5987
P5986
P5985
P5983
ListSingletonContainer28
P9031
P1803
P7740
P5982
P5981
P298
P5980
Atom CB of residue 23
P1440
P5978
P2652
Atom CD of residue 49
P2499
P5471
P294
P2935
P5977
P3
P4305
P5974
P2881
P4304
P295
P5973
P7731
P2879
P4302
P5971
P2878
P4301
P5970
P2485
P2877
Model 382
P4300
P11202
P5900
Model 147
P5969
P2874
P4297
P1788
P5966
P5965
P2871
P4294
P5963
P5882
P1425
P4293
P0
P5962
Atom CB of residue 70
P5004
P7997
P2869
P4292
P5961
P2867
P2852
P6
P5959
P7994
Atom OG of residue 20
P2866
P4289
P5958
P7993
P2865
P4288
P5957
P2864
P4287
P5956
P2479
P2863
P4286
P5955
P2850
Atom HD3 of residue 11
P2862
P4285
Atom CD of residue 64
P2861
P4284
P5953
P2476
P2860
P4283
P5952
P2859
P4282
P1774
P5951
P6376
P5950
P2854
P4277
P5946
P2853
P4276
P5945
P4275
ASN
P5944
P2851
P4271
P1
P4274
P5943
Atom O of residue 14
P4273
P5942
P2849
P5941
P2459
P2848
P281
P5940
P2900
P2011
P5939
Atom O of residue 94
P2846
P4269
P5938
P2456
P2845
Model 380
P4268
P5431
P277
P5937
CYS
P2843
P2840
P1402
P4266
P5935
P5933
P2896
P2007
P5932
P2836
P4259
P5928
P0
P11229
LEU
P5927
P5844
P2833
P4256
P11227
P5925
P2832
P11226
P2886
P5924
P2831
P11225
P5923
P2830
P4253
P11224
P5922
P2829
P11223
P5921
P11222
P5920
P11221
P5919
P11220
P5918
P11219
P5917
Atom O of residue 3
Atom CG2 of residue 118
GeneralizedGuinierPorodFunction 47
P5413
P4247
P11209
P5907
P267
P11218
P8555
P5916
P11216
P5914
P5911
P11212
P5910
P11211
P2872
P5909
P1732
P11208
P5906
P11207
P5905
P263
Model 12
P5401
P4235
P2428
Model 144
P11201
P5899
P11205
P5903
P8543
P5897
P2858
P5894
P5892
P8930
P7927
P5890
P5889
P5881
P5880
P5878
P5877
P4440
P8925
P1704
P5876
P5875
Atom NE of residue 74
P5874
P2774
P5804
Model 139
P5873
P5872
LEU
P5871
P4200
P4197
P5866
P4195
P5870
P8512
P2830
P5864
P4194
P2
P5863
P4192
P1690
P5861
P247
P5859
P4425
P5858
P4188
P5857
P243
P5856
P7868
P4184
P5853
P5850
P4849
P8548
P2363
P7864
P4180
P2816
P5849
Multivariate Normal distribution 23
Atom C of residue 4
P1676
P5846
P7860
P4176
P5845
P5844
P8541
P8542
P7858
P4174
P5843
P1886
P2005
P5839
P5838
Atom HZ2 of residue 11
ILE
P7852
P4168
P5831
P7596
P5837
P7847
P4163
Atom HD11 of residue 3
P5832
P5828
Atom CG of residue 32
P4178
P7862
P4157
P4171
P7855
P4150
P2788
P5819
P5934
P7825
P4832
P8491
P4147
P4167
P7851
P4146
P5815
P11107
P224
P8851
P2351
P5814
P4143
P4139
P5808
P4137
P5806
P2336
P0
Atom HD13 of residue 13
P4846
P4135
P4155
P7839
P4134
P5803
P4155
Atom HG22 of residue 36
P2
P8477
P6227
P2
P8474
P5798
P5797
P4834
P5791
P4830
P5787
Atom N of residue 52
P4118
P8488
P4829
P216
P5786
Atom CB of residue 61
P6210
Atom HD13 of residue 13
P4827
P8217
P7777
P11045
Atom N of residue 8
Atom CG1 of residue 3
P4823
P5780
P5926
P5917
P2313
P4101
P1321
P5779
P5777
P7530
P8810
P4815
P7541
P8423
P8809
P4814
P5771
P5762
P0
P1604
P5261
P5769
P1831
P5761
P5263
P8421
P5768
P5764
P1821
P1815
Atom HA of residue 14
P2734
P5761
P5253
P5758
Atom HA3 of residue 76
P4048
P1792
P8434
P7792
P5251
P2729
LEU
P5756
Atom HG of residue 69
P8231
P11072
Atom HD11 of residue 69
P2
P5755
P8230
P11058
Atom HA of residue 8
P7790
P5249
P5754
P7788
P5247
P11066
P5244
P5752
P11055
Atom CD2 of residue 8
P7787
P5246
P5751
P2735
P8226
P7786
P5750
Atom CG of residue 69
Atom CB of residue 8
P8223
P1574
P7783
P4792
P1833
Atom HB2 of residue 49
P5753
P8401
P5747
P8222
P7782
P4063
P1806
P5746
P11060
Atom C of residue 69
P8220
P7780
Atom O of residue 69
P5744
P197
P5740
Atom HD1 of residue 68
P8215
P7775
P196
P5739
P7774
P5738
P4314
P181
P8213
P5737
P2715
P5741
P8390
P5735
P4777
LEU
P4771
P5727
P7760
P5219
P5724
P8199
6lyz.pdb
P7759
P8198
P7758
P8560
P1560
P5722
P8196
P7756
P4041
P8425
Atom HA3 of residue 75
P7749
P5713
P8188
P7748
P5712
P8187
P7747
P5711
P8185
P7745
P5709
P5646
P2196
P8120
P10945
P5643
P5654
Atom HA of residue 63
P7404
P5639
P7668
LEU
P8297
P8109
P10934
P5112
P5632
P7665
P8106
P5109
Atom CG of residue 62
P5629
P4204
P4202
P10909
P2544
P7638
P8312
P8462
P7664
P8105
P10942
Atom HE21 of residue 62
P5123
P5619
P145
P5108
P5628
P7663
P2621
P8104
P10941
P5119
P5627
P2105
Atom HG3 of residue 62
P7661
P2106
P8102
P5625
P7402
P8101
P10938
P8288
P5116
P5624
P152
P7400
P8099
P5634
P5114
P5622
P7397
P8096
P10933
P5631
P5111
P2100
Atom OG of residue 65
P141
P7394
P8093
P5616
P7393
P8092
P1460
P8268
Atom HG13 of residue 61
P5615
P7392
P8091
P5614
Atom C of residue 62
P5617
P8269
P5611
P1677
P7386
P8085
P5608
P7384
P8083
P5537
Model 125
P5606
P7383
P8082
P5605
P5751
P5599
Atom CG2 of residue 70
P7382
P8081
P5604
P7380
P8079
P5602
P7379
P8078
P5601
P7378
P8077
P1446
P5600
P5599
P2541
P132
P8072
P5595
P8071
P5594
P1663
P8070
P2526
P5587
P7351
P5593
P5739
Atom HD13 of residue 69
Atom HG21 of residue 3
Atom O of residue 5
P8067
P5590
P8065
P2572
P5588
P8064
P8062
P1432
Atom HA of residue 63
P5585
P8061
P2523
P5584
P8060
P2579
P8059
P5582
P4157
P3894
P7590
P7569
P3873
P8298
Atom CG of residue 69
P8058
P5581
P124
P8057
P5580
P2569
P2524
P5579
P8559
Atom CA of residue 27
P1649
P8055
P8615
P2137
Atom HE2 of residue 59
P5578
P1623
P4152
P1622
Atom HD11 of residue 67
P8262
P8286
P8053
P5576
P2081
P5828
Atom HG21 of residue 26
P5994
P2129
P7354
P8050
P2558
P1318
P5573
P8049
P5572
P8048
P5571
P8047
P8619
P1418
P5570
P8046
P5569
Atom H of residue 68
P2565
P8044
P5567
P5987
P2122
P8043
P5566
P5565
P1635
P8040
P5563
P8036
P5562
Atom OE1 of residue 62
P5559
P8035
P2544
Atom CA of residue 59
P5558
P8033
P5556
P2551
P8029
P2494
P5552
P8028
P5551
P8027
P5976
Atom HD11 of residue 61
P5550
Atom CG of residue 25
P1621
P5548
Atom CA of residue 58
P5544
P5539
P5535
P2478
P5534
P5813
P1607
P5533
P8249
Atom CB of residue 29
P3237
P6230
Atom CD of residue 24
P5532
P5531
P5523
P7288
P5529
P2516
P5528
P5526
P5527
Atom N of residue 61
P5524
P1372
Atom HG23 of residue 23
P5000
P5520
P5519
P5517
P5514
P8551
P1764
P1
P2529
P4102
P5510
P5505
Atom CB of residue 65
P1579
P5503
P5501
P2519
P2488
P5498
P5502
Atom HA of residue 59
P2449
P5496
P5485
P87
P5494
P5489
Atom CB of residue 80
P1737
P5488
TYR
P5479
P7244
Atom OG1 of residue 22
P5478
P7243
P5484
Atom HE of residue 54
P5486
Atom O of residue 58
P5477
P7242
P2474
P5483
P83
P5476
P7241
P5482
P4526
Atom HD13 of residue 15
Atom CA of residue 3
Atom HD3 of residue 63
P2503
P5475
P7240
P5481
P5913
P1739
P10779
GaussianProcessInterpolation8
P1
P5474
ASP
P7239
P5480
P5469
P7234
P5465
P7230
P7236
P5471
P1723
P5464
P7229
P2420
P7235
P5470
Atom N of residue 57
P7225
Atom H of residue 54
Atom CB of residue 57
P7222
P5459
P7935
P5458
Atom O of residue 73
P5457
P8502
P8307
Atom HD3 of residue 11
P7930
P5453
Atom HA2 of residue 53
P5447
P2431
P5437
P75
P5446
Atom CB of residue 14
P5444
P5442
P2424
P1
P5440
P2464
P5438
P7916
Atom HD2 of residue 4
P5448
Atom CG of residue 52
P5433
P5429
P3767
P7463
P2453
P7442
P3746
P10743
P7904
P5427
P7441
P3745
P7903
P5426
P3764
P2469
P7460
P7439
P2450
P3743
P7901
P3763
P7459
P7438
P3742
P3762
P7458
P7437
P3741
P7899
P5422
P3760
P7456
P2448
P7435
P3739
P7897
P5420
P5845
P5419
P4913
P5418
P4907
P7452
P2442
P7893
P5416
P7450
P7891
P5008
Atom HD21 of residue 60
P5414
P4904
P7449
P2439
P7890
P5413
P4903
P7448
P7889
P2367
P5412
P4901
P7446
Atom C of residue 5
P7887
P5410
P4900
P7445
P3990
Atom CG of residue 60
P7886
P5400
P45
P5409
P4898
P8266
P7440
P1663
Atom CA of residue 120
P7443
P7884
Model 265
Atom HB2 of residue 16
P78
P4895
P7881
Atom CD1 of residue 13
P7420
P3724
Atom N of residue 18
GaussianProcessInterpolationRestraint 13
P10725
Atom HD22 of residue 50
P2435
P2023
Atom H of residue 16
P7438
P7879
P5402
P7435
P7876
P5399
P7434
P7875
P5398
P5395
Atom CA of residue 73
P7430
P4885
P3714
P7410
P2424
P5390
P7871
P5394
P2056
P7429
P5393
Atom C of residue 50
P7425
P1649
P7428
P7869
P5392
Atom OG of residue 72
P7427
P2055
P7868
P5391
P7866
P5389
P7423
P1640
P4981
Atom CE2 of residue 59
P5387
P7420
P2394
P7861
P5384
P7419
P4108
P7860
P7418
P4107
P7859
P5382
P7076
Model 116
P7417
P4106
P7858
P5381
P7416
P4105
P7857
P7414
P7855
P5378
P7413
P7412
P7132
P68
P5376
P7411
P2373
P5375
Atom CD of residue 74
Atom OD2 of residue 58
P1630
P5367
P2334
P5366
P2533
P5361
P5360
P2328
P5359
P10660
P5358
P3696
P7392
P3675
P36
P5356
P7106
P3923
P1608
P3683
P7379
P3662
P6072
Atom HG2 of residue 19
P7097
P3682
P7378
P2376
P3661
P3944
P1615
P7818
P5351
P2522
P3942
P2352
P7816
P5349
P3941
P7815
P5348
P5346
P5345
P5494
Atom CA of residue 37
Atom HD21 of residue 56
P5342
P5485
P7818
P4835
P1602
P5341
P2340
P5340
P7095
P4381
P1598
P3926
P7776
ARG
P1
P7057
Atom CG of residue 4
P5324
P2365
P5323
P65
P4372
P1591
P7358
P4367
P4355
P4819
P5320
P4
Atom HG21 of residue 55
P5750
P5324
P1585
P5448
P2359
P7356
P5319
P7355
P7354
P7791
Atom C of residue 49
Atom HG3 of residue 34
P7352
P1578
P3500
Atom CA of residue 37
P5310
P5308
P3625
Atom HE of residue 54
P5306
P2278
P5305
P5304
Atom H of residue 44
P5303
P7756
P5
P1561
P8226
P5297
P7752
P4
P1323
P5291
P2261
P8218
Atom C of residue 48
P5290
P5288
Atom N of residue 48
P5287
P1543
P7763
Atom CA of residue 54
P2253
P5286
P1550
P5285
P5284
Restraint 28
P2287
P2250
P5283
P5280
P2455
P5279
P5278
P5277
P7760
P5271
P5269
P2273
P5268
P2049
P1533
P5267
P2304
P2280
P7739
P3071
P6069
P3057
P1813
P5342
P7736
P5265
P2234
P5259
P7734
P5257
P7733
P5256
P5254
P5249
P6004
P3835
P3438
Atom HB of residue 61
P5248
P5251
P2221
P5245
P5244
P5241
P5240
P10540
P5238
P2214
P2244
P5237
P8177
P4730
P1507
P4282
P1506
P4262
Atom HA of residue 4
P4727
Atom CG of residue 50
P5229
Atom HA of residue 50
P5216
P7700
P5226
Atom CA of residue 44
P5223
P1474
P2268
ILE
P1492
P2265
P4261
Restraint 25
P5212
P5210
P7245
P8138
P5209
P8136
P5207
P8135
P2215
P5206
Restraint 62
Atom HB2 of residue 40
Atom C of residue 43
P8133
P5204
P1471
P4247
P2248
P8129
P5200
Atom O of residue 7
P5198
P2208
Atom HH12 of residue 42
P8126
P5197
P7672
P3786
P8124
P5195
P8123
P5194
P8121
P5192
P7656
P8120
P2201
Atom HD3 of residue 38
P5191
P7654
P8118
P2165
P5189
P1463
P1440
P2235
P3779
Atom HA of residue 39
P7653
P8117
P5188
P5335
P3
P0
P1331
P7652
P8116
P5187
P1
P2370
P5185
P5184
P2367
P5182
P3772
P3771
P5186
P2162
P5322
P3769
P3768
P6945
P2157
P3766
Atom CB of residue 64
P3764
P1447
P5175
Atom H of residue 16
P3763
P3762
P8112
P7648
P7636
P8100
P5171
Atom HH21 of residue 74
P3760
Atom C of residue 6
P3759
P1288
P3758
P8108
P7644
P5167
P3756
P2216
P3753
P3750
P2
Atom HA of residue 74
P5159
P3748
P5157
P2206
GaussianProcessInterpolationRestraint 8
P3747
Atom CE2 of residue 45
P7626
P6903
Atom C of residue 29
P5574
P5148
P3560
P5461
P5146
P5145
Atom HD12 of residue 36
P2154
P1683
P5143
P5140
P5138
Atom HA3 of residue 35
P5137
P3549
P7276
P6843
Atom O of residue 56
Atom O of residue 121
P1400
Restraint 21
P5135
Atom HA of residue 36
P5134
P3546
P7273
P6840
LEU
P1407
P5132
P5130
P2318
Atom CB of residue 39
P5128
P1406
P5127
P5126
P2180
P5125
P5124
P2176
P2177
P5122
P5120
Atom HH11 of residue 72
P5119
P3
P5115
P5534
P1389
P2911
P6863
P1396
Atom HA2 of residue 10
P5108
P5104
P2160
P5103
P5102
P1369
P2157
P5100
Atom CA of residue 72
P1641
P5098
P6855
P6864
Atom HA of residue 37
Atom NZ of residue 33
P5097
P5095
P1225
P3692
P5091
P2291
P3687
P1373
P5094
P5093
P2148
P4692
P1216
1G6J_MODEL1.pdb
Restraint 19
P5092
P5091
P2282
P5088
P1367
P5513
P2096
P5087
P5512
P10388
P5086
P2279
Atom HG22 of residue 36
P5085
P2143
Atom HD2 of residue 42
Atom H of residue 71
P1360
P5084
P1627
Atom H of residue 32
P5083
P5078
P5072
P5070
Atom HG11 of residue 70
P4103
P2128
P1613
P5068
P3657
P1345
P4104
P489
P1374
P5064
P2262
P3655
P1343
P5062
P3647
P5059
P5058
P2253
P5056
P1334
P5051
P5049
P5053
P1599
P5047
P5042
P5040
P5794
P5077
Atom C of residue 3
P5795
P5039
P1786
Atom CG2 of residue 30
P5037
P5036
P5032
P1788
P7511
P1781
P4529
P1150
Atom CB of residue 40
Atom HD3 of residue 6
P5031
P5028
P2353
P2351
P6702
P6276
P5025
Atom CE of residue 6
P5024
Atom CG of residue 43
P1772
P5022
P5021
P5337
P3635
P6228
Restraint 129
P5778
P5061
P6657
Atom HG1 of residue 14
P5019
P5018
Atom CB of residue 39
P5023
P1571
P5017
P2117
P5770
P5014
Atom CD of residue 29
P5012
P5011
P5050
P6646
Atom CB of residue 34
P7044
Atom HG2 of residue 38
von Mises sufficient 1
Atom HD11 of residue 67
P1557
P5008
P7060
P4
Model 315
Covariance1DFunction 53
P5006
P5004
P4999
P4996
P4995
P5141
P7030
Atom HD2 of residue 37
P4994
P4991
P4989
P4988
P4987
P6622
P5026
P72
Restraint 185
P6694
Atom H of residue 57
P0
Atom HD3 of residue 27
P4986
P4984
P8031
Atom HB2 of residue 64
P4982
P4979
P1529
P4978
P4976
P8513
P3203
P4974
P4973
P5217
P94
P5732
P3233
ListSingletonContainer508
P4972
P8023
P2176
P4971
P4970
P7005
Atom CB of residue 65
P4967
P5212
P8013
Atom HE2 of residue 63
P4964
Atom HG21 of residue 36
P1989
Covariance1DFunction 52
P1515
P4963
P4961
Atom HA of residue 26
P4959
P4958
P8006
Atom HB2 of residue 63
P4957
P4956
P4954
P4952
P2
P4951
P3541
P3984
P7951
P3966
P1706
P1
P2157
P4950
P3365
Atom CA of residue 63
Atom NZ of residue 11
P4949
P1702
P4947
P4946
P4943
P4942
Atom CB of residue 74
P4940
P4939
Atom CB of residue 34
P4937
P437
P4935
P7983
Atom NE2 of residue 62
P4934
P1487
P4933
P2143
P7389
P7853
P433
P1688
P4932
Atom HZ3 of residue 33
P4931
Atom HB2 of residue 24
P4929
Atom H of residue 24
P4927
P4926
Atom H of residue 75
P4925
P4924
P7971
P1318
P4922
P4921
P4920
P4919
P1473
P4918
P3911
Atom N of residue 76
P1866
P1674
P1938
P4917
Atom C of residue 34
P7916
P4916
P7965
P1810
P4913
P4912
P4910
P4909
P4518
P7905
Atom NH2 of residue 74
P1663
P7370
P7834
P4905
P1888
P4864
P3897
P3447
P1312
P4515
Atom HB3 of residue 33
P7902
P1660
P419
P4897
P4896
P5321
P3083
P1708
P5652
P2652
P1702
GeneralizedGuinierPorodFunction 29
P2197
P4894
Atom ND2 of residue 60
P1932
Atom HG12 of residue 26
Atom HD13 of residue 73
P3482
Atom HA of residue 61
P3479
Atom CG2 of residue 14
P10194
P7819
Atom HA of residue 26
P4890
P3478
P10193
P7818
P4889
P3477
P10192
P7817
P4888
P3204
Linear1DFunction 37
P1645
P4478
ScoreState 2
P3475
P10190
P7815
P4886
P3474
P10189
P7350
P7814
P4885
Atom HB3 of residue 27
Atom HZ1 of residue 48
P0
P6858
P3161
Atom N of residue 72
Atom HZ2 of residue 48
P1782
P6931
P3472
P4883
P10186
P7347
P7811
P4882
Atom CZ of residue 42
Model 424
Atom HD11 of residue 15
P6929
P3470
P4887
P1444
P10185
P7346
P7810
P4881
P1640
P1647
P7360
Atom CD2 of residue 73
P6928
P3469
Atom CA of residue 23
P4880
Atom N of residue 23
P6927
P3468
P10183
P7344
P7808
P4879
P6926
P3467
P4878
P6924
P3465
P10180
P7805
P4876
P10179
P7804
P4875
Atom CB of residue 18
P6650
P4366
P6641
P412
P4357
Atom HB2 of residue 25
P3468
Atom C of residue 73
P4466
GaussianProcessInterpolationRestraint 2
P3442
P2008
P6922
P3463
P10178
P7803
P4874
Atom OE1 of residue 16
Atom HG2 of residue 63
P6920
P3461
P10188
P7813
P7349
P7801
P1885
P407
P1430
P4872
P2181
P6592
P3431
P4829
P6624
Atom HA of residue 42
P1902
P4867
P3896
P7342
P4861
Atom HA of residue 40
P4854
P6621
P4860
Linear1DFunction 14
JeffreysRestraint_P0
P1621
P4858
P4857
P1386
P4947
P4313
Atom HB2 of residue 64
Atom N of residue 28
Atom HB3 of residue 58
P400
Atom C of residue 20
P4852
P1662
Atom C of residue 44
Atom C of residue 40
P4850
P1576
Atom CG2 of residue 70
P3405
Atom HD22 of residue 71
Atom HA of residue 59
P3190
P6887
P4458
P4844
P6866
P3169
P6625
P4341
P11857
Atom HA of residue 39
P6095
P9633
P1695
P6602
P3438
P1751
P397
P6601
P4844
P2189
P3150
ListSingletonContainer494
P5220
P8409
P3455
Model 210
P6600
Atom HB3 of residue 31
P6599
P4833
P3435
P3877
P7772
P4842
JeffreysRestraint_P1
P6598
P6596
Atom HA of residue 6
P1601
P4830
P3432
ScoreState 1
P7314
P1604
P1743
P3874
P4839
P6594
P3433
P4831
P3139
P7854
Atom HG1 of residue 55
P2086
SER
P5258
P4825
P6591
P6597
P4831
P2538
Atom HB3 of residue 38
Atom H of residue 58
P1869
P6611
Atom HB3 of residue 19
P5257
P4824
P6590
P6596
P4830
P5256
P6589
P5255
Atom CB of residue 18
P6588
P6594
P4828
P5254
P6587
P6586
P6592
P4826
P5252
P6585
P3152
P6849
Atom HA of residue 15
P3131
Atom NH1 of residue 42
P1714
P4303
P2516
P5040
P3147
P6844
P4805
P3086
Atom HD12 of residue 69
P1571
P4804
P8216
P2098
P4753
Atom CB of residue 67
P7227
Atom CD of residue 18
P10057
P4750
P1592
P4747
P357
P4746
P4744
P4743
P2090
P4742
P4740
P4738
P1829
Atom HG22 of residue 13
P4737
P4736
P4735
P4731
P4729
P5088
P348
P4728
P2076
P4272
P7659
P2977
Atom OE1 of residue 62
P4727
P4725
P7662
P1816
P4723
P4719
P4715
Atom H of residue 62
Atom C of residue 8
P26
P4714
P2062
P4712
Atom C of residue 46
P4710
P1802
P4708
Atom N of residue 46
P1939
P4707
P4706
P4705
P4704
P1406
ListSingletonContainer55
P2076
P1550
P4702
P16
P4699
P4698
P4697
Atom C of residue 61
P1788
P1982
P4693
P4106
P1925
P4686
Covariance1DFunction 14
P4692
P4691
P4690
P1783
P2044
P6655
Atom HA of residue 60
P2062
Atom CA of residue 73
P8127
P1402
P7098
P1395
P1536
P4687
P329
P4680
P1911
P4677
Atom O of residue 69
P4676
P4675
Atom HA of residue 17
P4674
P1769
P2030
P8112
P1381
Atom HA2 of residue 10
Atom HG23 of residue 13
P4672
P4671
P2920
Atom HD1 of residue 59
P6434
P4670
P4592
Atom NE of residue 72
P2917
Atom HA of residue 59
P4667
P6431
P4665
P320
P6630
P2044
P1897
P6428
P4662
P6427
P4661
P6426
P4660
P4659
P4658
P1755
P2016
P1508
P4657
P4580
Atom HD21 of residue 71
P8095
P1363
P4655
LYS
P2903
Atom H of residue 72
TYR
P4653
P4652
P4649
P4686
P5888
P4888
P6358
P6615
Model 298
P2030
P1883
P315
P4647
P4644
P4643
P1741
P2002
P2892
Atom O of residue 58
P1494
P4642
P1349
P4640
P4637
P4634
P1982
P1732
P1993
P4633
P6600
P4154
P0
Atom HG22 of residue 70
P2016
P1869
P4632
P4631
P4630
P306
Atom HA of residue 70
P2878
Atom C of residue 57
P4628
P1337
P4626
P4164
P4553
P2875
Atom N of residue 57
P4625
P4623
P4622
P4619
P1718
P1979
P4618
P1314
P4616
P302
P4615
P301
P4614
Atom HE3 of residue 6
Atom OG1 of residue 7
P6377
P4613
Atom HE22 of residue 40
P1974
P1466
P4612
P4611
P1
P4610
P4602
Covariance1DFunction 10
P4608
P4607
P4605
P4604
P2672
Atom HB of residue 9
P1693
P1954
Atom OE1 of residue 41
P1704
P1965
P4603
P4601
P4600
P4599
P2848
Atom HB of residue 55
P4598
P1960
P1452
P4597
P292
P4596
P4595
P4592
Atom HA of residue 9
P4590
P4008
P4111
P1
P4589
Atom CG2 of residue 9
P1940
P1641
P1690
P4588
P7
P8023
P4585
P8021
Atom HE of residue 54
P6983
P2830
P2839
P6992
P1957
P4583
P2
P1438
P4582
P6981
P2828
P8019
P2837
P6990
P1630
Atom NZ of residue 6
Atom CB of residue 55
Atom HG of residue 69
Atom C of residue 68
P8018
P2836
P6989
Atom CB of residue 40
P4580
P1963
P6978
P2825
P1970
P8016
Atom HB2 of residue 54
P2834
P6987
P4578
Atom N of residue 68
P6977
P2824
P8015
P2833
P6986
P4577
Atom CA of residue 11
P4576
P6975
P2822
P8013
P2831
P6984
P4569
P1
P4575
P1926
P8011
P1937
P4573
P8009
P4571
P8008
P4570
Atom CA of residue 69
P8006
P6968
P2815
P4568
P6966
P2813
P13168
P8004
Atom CB of residue 39
Covariance1DFunction 9
P4566
P4565
P1949
P1956
P8001
P2819
P6972
P278
Atom HZ2 of residue 11
P4563
P8000
P4562
P6964
P2811
P8002
ARG
P4561
P7998
P2816
P6969
P4560
LEU
P7996
P2814
P6967
P1923
P4558
Atom HA of residue 17
P6956
P2803
P7994
P4556
P7993
P4555
Atom HG1 of residue 12
P1585
P4554
P4551
P8104
P4540
P8103
P4539
P1
P1893
P1904
P8102
P4538
P8100
P4536
P3057
P13140
Atom HA of residue 65
P1
P2600
P4532
P7501
P4531
P4529
P1895
P7465
P2605
P7887
P2595
P4527
P1369
P7880
P2597
P2588
P4520
P3028
P6989
P1930
P6271
P8065
P6965
P0
P3007
P1875
P3483
P4593
P13127
P4442
Atom CD of residue 64
P7883
Atom H of residue 36
P7877
P4526
P2594
P2585
P4517
P7875
P4524
P2592
P2583
P4515
Atom CG1 of residue 36
P1881
P4522
P2590
P4865
P4518
P260
P2586
P4509
P4516
P2584
P4507
P4862
P4506
P3013
P8074
P6974
P2992
P1861
P7969
Atom CB of residue 67
P13134
P7968
P1895
Atom O of residue 35
P4859
P254
P4503
SER
P7967
P4858
P4502
P7966
P4857
P4501
P3048
P7009
P6291
P6288
P262
P7964
P4499
P7495
P6492
Atom O of residue 51
P7963
P1867
P4854
P4498
P4850
P4494
Atom HZ3 of residue 33
P2553
P4483
P7947
P7943
P4478
P1317
P4477
P7941
P4476
P7936
P2
P6438
P4471
P6465
P184
P1866
P7935
P240
P4470
P7934
Atom CA of residue 49
Atom HG2 of residue 63
P2
P4394
Atom O of residue 62
P2719
P0
P4469
P7933
P4468
P7932
P4467
P4527
P7888
P1
P4423
P2
P4524
P1857
P4429
P8243
Atom HB3 of residue 4
P4522
P0
P7883
P4418
P4521
P7882
Atom H of residue 11
P4417
P4520
P7881
P4416
P4519
P7892
P7371
P7880
P2597
Model 67
P4415
P4518
P7879
Multivariate Normal distribution 26
P5661
P6048
P32
P2596
Atom CB of residue 48
P4515
P7876
Atom N of residue 31
P7771
P4410
P4408
P4406
P4403
P4402
P4398
P4397
P4393
P4391
P1829
Atom HG3 of residue 29
P4390
P4388
P1830
P4387
P4385
P4383
Atom HZ3 of residue 11
Atom HB2 of residue 57
P4381
Atom CB of residue 29
P4373
Covariance1DFunction 0
P4379
Atom N of residue 2
P4377
P13381
P4282
Atom HB2 of residue 56
P4376
P4372
P1319
P7810
LEU
P144
P6833
P4369
P6832
P4368
Atom NH2 of residue 42
P6831
P4367
P6828
P4364
Atom N of residue 28
P6826
P4362
P6822
P4358
Atom CD1 of residue 61
P6821
P4357
P6818
P4354
Atom HB of residue 5
P6816
P4352
P7792
P138
Atom HB3 of residue 27
P6815
P4351
P6814
P4350
P7284
Atom HG23 of residue 13
P6813
P4349
P6812
P4348
P4365
P6829
P6811
P4347
Atom NE2 of residue 2
P6810
P4346
P2084
Atom C of residue 27
P6804
P4340
P3
P6803
P4339
P184
P6802
P4338
Atom N of residue 27
P6801
P4337
P1980
P6797
P4333
P6796
P4332
P6795
P4331
P6794
P4330
P1966
Atom HB of residue 44
P4336
P6800
P4318
P4334
P6798
P4316
P4315
P4313
P4312
P4329
P6793
P4311
P4328
P6792
P4310
Atom HB2 of residue 27
P4327
P6791
P4309
Atom CG of residue 27
ListSingletonContainer13
P4308
P7771
P4324
P6788
P4300
P4
P4306
P4322
P6786
P1330
P4292
P7733
P4214
Atom CB of residue 52
P3253
P2041
P3752
P161
P4287
ListSingletonContainer292
P4286
P8542
P4285
P4284
P4283
P4291
P8548
P4282
P4281
ListSingletonContainer291
P4280
P4279
P6222
P114
P3221
Atom CG of residue 38
P4276
P4275
ListSingletonContainer290
GaussianProcessInterpolationRestraint 47
P6036
P156
P4272
Atom CG2 of residue 23
P6035
P4271
P6033
P4269
ListSingletonContainer289
Atom HG11 of residue 70
ScoreState 47
P2013
P6032
P4268
P6030
P4266
P6029
P4265
Atom HD12 of residue 50
P6025
P4261
Atom HB of residue 22
P6022
ListSingletonContainer287
P6020
P7820
P4256
P2121
P6019
P4
P7819
P4255
P7817
P4253
Atom N of residue 52
Atom HG21 of residue 36
ListSingletonContainer286
P6009
P6215
P7809
P4245
ListSingletonContainer285
P6006
P6212
P7806
P4242
Atom CE of residue 33
P8497
Atom HE1 of residue 1
P7161
P7160
P7159
P6193
Atom HB3 of residue 2
P5990
P6196
P7790
P4226
P1929
P7158
P2
P7156
P6191
P5985
P7785
P4221
P7153
P7151
P7149
Atom N of residue 18
P7148
P7140
P8494
P4207
Atom HG3 of residue 18
P7773
P7138
P7141
P4205
P7137
Atom HG12 of residue 3
P8466
P4204
P4203
Atom HB of residue 14
VAL
P84
P4202
P7776
P4212
LYS
P6
Atom HA of residue 18
P1957
P4198
GeneralizedGuinierPorodFunction 42
P4197
P4196
P3159
P3138
Atom HA of residue 33
P4195
P4193
P4191
Atom OE1 of residue 16
P4189
P4188
P4187
P7968
Atom CB of residue 16
Atom OE1 of residue 49
P1943
P4182
P3145
P4181
P4179
Atom CB of residue 46
Atom N of residue 49
P6125
Atom HD21 of residue 15
P4177
P4082
P7092
Atom C of residue 15
Atom CB of residue 41
P2392
P4175
P4174
P4172
P4171
P2090
P1929
P4168
P8429
P4165
P4164
P106
P4162
VAL
P4161
P4160
P6125
P4157
P1915
P4151
P4150
P3110
P4146
P4145
P2067
P4144
P4142
P101
P4149
P8413
DihedralSingletonScore7
P4140
P1901
P4139
Atom HG23 of residue 30
P7925
P6546
Atom CA of residue 44
P94
P4137
Atom N of residue 3
P4211
P4187
Atom CG1 of residue 30
P8533
P4141
P8406
P5895
P4131
GaussianProcessInterpolation77
Atom O of residue 31
P4209
P180
P8532
P4130
Atom CG2 of residue 13
P4127
Atom HB of residue 14
P4125
P4943
P1705
GaussianProcessInterpolation46
P5451
Atom HZ3 of residue 11
P8427
P4076
P2643
P7091
Atom HB3 of residue 74
P3085
P176
P4117
Atom HB3 of residue 1
P4116
P4173
Atom HD2 of residue 29
P4401
P2338
P8500
P3057
P8516
P2637
Atom H of residue 10
P4112
P2634
Atom HZ3 of residue 11
P4109
P7926
P5442
P2472
P4944
P4106
P4104
P7551
Linear1DFunction 35
P4153
P5822
P3592
P5888
Atom CA of residue 10
P5876
Atom HG of residue 15
P7182
P4099
P51
P7181
Atom C of residue 74
P4097
P6078
P3074
P4466
P4095
Atom C of residue 3
P3068
P12847
P7545
Atom CB of residue 29
P8507
P4183
P4093
P4092
P2
Atom CG1 of residue 44
Atom HZ2 of residue 29
P3066
P12845
P7543
Atom CD2 of residue 43
P8506
P4091
P4090
P7461
P8368
Atom HD23 of residue 8
P4089
P4088
P4455
P6067
P3063
P4087
P6063
P8499
P1329
P4086
P6065
P4453
P3061
P4085
P3060
P4452
P4081
P4079
P3056
P6060
P4448
P5854
P4077
P0
P6058
P3054
P4446
P6055
P4443
P3051
P4075
Atom CA of residue 73
P6054
P4442
P3050
P8354
P4074
P6056
P3052
P4444
P6053
P4441
P3049
P4073
P7042
P4096
P3590
P5874
Atom HG2 of residue 41
P6051
P4439
P3047
P4071
P3587
P5871
GaussianProcessInterpolation30
Atom NE of residue 42
P8483
Atom HG3 of residue 27
P4436
P6048
P3044
Atom CA of residue 8
P4068
P3586
P5870
P12846
P7544
P7041
Atom HA of residue 13
P6050
P3046
P4438
P6047
P4435
P3043
P4067
Atom CA of residue 4
P3582
P82
P5866
P37
P6069
P3063
P12842
P7540
P8480
Atom H of residue 27
P6046
P3042
P4434
P6043
P4431
P3039
P64
P4063
Atom HD12 of residue 73
P3580
P5864
P3061
P6498
P3040
Atom HB1 of residue 28
P12840
P7538
P6044
P3040
P4432
P4061
P3579
P5863
THR
P3060
P12839
P7537
P3985
Atom O of residue 41
Atom O of residue 8
P6040
P4428
P3036
P4060
P4083
P4451
P3059
P3577
P2
Atom HD12 of residue 8
P5861
P3052
Atom HG of residue 43
P12837
P7535
P6037
P8778
Atom NE of residue 68
P4784
P5887
P4082
P5860
P8497
P12836
P7534
P3982
GLN
P3032
P12811
P7509
P8474
P4425
P3033
P4057
Atom O of residue 3
P3575
P5859
P3056
P12835
P7533
P6039
P3035
P4427
P4424
P3032
P4056
Atom HZ2 of residue 27
P6032
P3031
P4423
P4420
P3028
P4076
P3051
P164
P3033
Atom CB of residue 24
P12830
P7528
P6007
Atom HG22 of residue 26
P8
Atom HD12 of residue 23
P3026
P12805
P7503
Atom N of residue 27
P8468
Atom N of residue 66
P3030
P4422
P4419
P3027
P4051
P3029
P4421
P4044
P0
P4050
P4072
P6052
P4440
P3048
P3047
P3041
Atom C of residue 43
P12826
P7524
Atom HD3 of residue 27
P4137
P6990
ListSingletonContainer341
Atom HG22 of residue 22
P6492
P4070
P6051
P6039
P6495
GLU
P8488
P3045
P3039
P1327
P12824
P7522
Atom HH12 of residue 72
P4069
P6049
P4437
P3045
Atom HG3 of residue 24
P3044
P12823
P7521
P4053
P8334
Atom HD13 of residue 15
P4064
P12818
P7516
P3014
P8456
P4048
P8329
P3018
P4410
P4039
P12817
P7515
P6045
P3041
P4433
P4062
P6042
P4430
P3038
P3012
P8455
P4405
P3013
P4037
P12812
P7510
P3028
P4
P6436
P60
P8444
Atom O of residue 23
P3025
P12804
P7502
P4039
P8424
P3023
P12802
P7500
P7609
Restraint 5
Atom NZ of residue 6
P6969
P6996
LEU
P2
P47
Atom CD of residue 41
P6002
P46
P6440
P7812
P8437
P141
Atom H of residue 20
P6959
Atom HB2 of residue 20
P4383
P2991
P5789
P4015
ScoreState 44
P4088
P2987
Atom OD1 of residue 25
P7817
P4012
P7461
Covariance1DFunction 45
Atom H of residue 35
P4007
P2
P4021
P8407
P4373
P2981
P4005
P4003
P3918
Atom C of residue 37
Atom HB2 of residue 2
P2971
P4363
P3992
Atom H of residue 23
Atom HB2 of residue 18
Atom H of residue 58
P5761
P3985
Atom CG of residue 19
Atom HB3 of residue 38
P4351
P2959
P3983
P3980
P2952
P4344
P3973
P1906
P6917
P2950
P4342
P1902
P3966
P3964
P8367
Atom O of residue 34
P7542
P6442
P7533
P2512
P3
Atom HA3 of residue 47
P5722
P3946
Atom HG12 of residue 36
P8369
Atom HG of residue 20
Atom HB2 of residue 8
P8370
Atom CB of residue 49
P12689
Atom HD3 of residue 33
Atom CG1 of residue 30
GeneralizedGuinierPorodFunction 16
Atom HB2 of residue 20
Atom N of residue 30
Atom HG23 of residue 7
Atom HZ2 of residue 29
Atom HB of residue 7
P8352
P3929
P8689
P4695
P5651
Atom HA of residue 33
P8351
P1888
P2930
P7322
P4322
Atom CD2 of residue 50
P7403
P3851
Atom CE of residue 33
P3926
P3924
P7373
Atom CD of residue 33
P3923
Atom O of residue 72
P6913
Atom H of residue 49
P8434
P6892
Atom HA of residue 30
P108
P7494
P3918
P8097
P7398
P2193
P22
P4278
P2886
P7486
P3910
P6880
Atom HZ3 of residue 29
P4268
P2876
P7474
P3898
P7473
P3897
P2463
P6867
Atom H of residue 29
P7262
P3887
P6833
P6302
Atom CB of residue 17
LYS
P4256
P2864
P2125
Atom CA of residue 26
P8542
Atom HG22 of residue 14
Atom N of residue 30
P3754
P7632
P13486
P6
Atom H of residue 28
P6803
P1350
P201
P3895
P7591
P1802
P4196
P2804
P3828
P6319
Atom N of residue 14
ListSingletonContainer334
P3826
P8530
P0
P8525
P3819
Atom HG2 of residue 24
Atom CD1 of residue 13
P3814
P2386
P5787
P2383
P5784
Atom HG23 of residue 12
P4176
P2784
P3808
P3805
P8511
Atom N of residue 29
P3729
P7607
Atom CG of residue 27
P6
P3803
P3796
P6742
Atom HZ2 of residue 11
Atom HE3 of residue 27
Atom HD12 of residue 23
P4128
P8002
P3865
P7561
Atom CG2 of residue 66
P1774
P3798
Atom CA of residue 28
Atom HG13 of residue 23
P6766
P2126
P8497
P2523
P40
Atom NZ of residue 11
Atom HA of residue 23
P5770
P2770
P4162
P3791
P8498
P3790
Atom H of residue 65
P3789
P3713
P2520
Atom HG2 of residue 42
Atom H of residue 26
P196
Atom CE of residue 11
Atom CB of residue 23
P2519
P12531
Atom HD2 of residue 27
P7148
P6722
P5554
P7147
P6721
P7145
P6719
P7144
P6718
Atom HG3 of residue 27
P5753
Atom C of residue 10
P2354
P5550
P6747
P2105
P7142
P6716
P7574
Atom HB2 of residue 42
P7510
P3814
P7972
P5916
P1746
P7139
P6713
P7138
P2344
P6712
P3767
P7137
P6711
P7342
P3766
P3761
P4129
P2737
Atom C of residue 12
THR
P6720
P6255
P0
P6708
P6709
P2341
P6706
P6705
P6704
P6702
P6701
P2086
P6700
P2734
P4126
P3755
P3750
P4118
P2726
Atom O of residue 21
P6697
Atom O of residue 24
P7202
P8461
P6696
P5731
Atom CD2 of residue 8
P6695
P6692
P2485
Atom NE of residue 72
P6689
P6687
P86
P3805
Restraint 75
P7501
P7480
P3784
P8294
Restraint 36
P6683
Atom HD21 of residue 71
P6680
P2315
P2312
P6677
P12480
Atom C of residue 76
P0
P5
P6156
Atom HG2 of residue 24
P4028
Atom CG1 of residue 23
P2468
P8442
P6676
P6674
Model 274
Atom HA3 of residue 75
P2469
P6673
P6702
P2063
Atom OE1 of residue 24
P3649
Atom N of residue 23
P3790
P7486
P7465
P3769
Atom CD of residue 62
P10758
P2407
P2699
P3723
P2698
P3722
Atom HZ3 of residue 6
P6664
P6663
P6661
P3643
P8419
P3628
Restraint 139
P2296
P6659
P2690
P3714
P6657
P6652
P6651
Atom O of residue 70
P6649
P6647
P2678
P3702
P6645
P2676
P3700
P6644
P6641
P2672
P3696
P6637
P3616
P6112
Atom HB2 of residue 20
P6636
P6634
P6633
P2277
P5465
P6662
P2031
P2664
P1939
P3688
P2026
P6630
P3685
P6629
P2660
P3684
P6628
P2658
P3682
P6626
P2657
P6623
Atom O of residue 69
P2652
P3676
P157
P20
P2411
P2
P3651
P2627
Atom HD23 of residue 67
P6598
P5634
Atom CD of residue 16
P5630
Atom CB of residue 20
Atom HG21 of residue 30
P4009
P1903
P6596
P12408
P8369
P5633
P1906
P5632
P5631
P7
P7390
P3694
P1634
P6063
P8507
P2620
P6591
Atom C of residue 15
P2624
P5426
P6124
P3648
P5627
P6591
P1995
Atom O of residue 15
P5624
P1996
P5623
P1890
P7088
P6113
P3637
P5616
P3996
P2230
P7087
Atom HB3 of residue 57
P5612
P3992
P5409
P5610
P6574
P8369
P3990
P7081
P5607
P3987
P7078
P5603
P3983
P5400
P3685
P7381
P3664
P5770
P1606
P3977
P4
P5394
P7068
P4829
P7375
Atom N of residue 46
P5338
Atom H of residue 56
P4828
P7374
P5337
P4379
P4826
P5335
P7370
P4378
P4825
P0
P2302
P1600
P5760
P1862
P7058
P5384
P6083
P3607
P7057
P6082
P3606
P3649
P2
P2504
P33
P3962
Atom CG of residue 64
P5379
P7053
P3620
P6096
P6507
Atom HG2 of residue 37
P6532
P3951
P5368
P6067
P3591
P1307
P3950
P5367
P8274
P6066
P3590
P3634
P8306
P7038
P3587
P7034
P6557
P1933
P6059
P3583
P7028
P1848
P8263
P3619
P3884
P0
P7024
P2549
P6049
P3573
P6047
P3571
P7021
P7020
P6045
P3569
P6044
P3568
P2389
P6067
P3069
P6040
P3564
P7014
P3581
P6057
Atom HB2 of residue 62
P6039
P3563
P3562
P3604
P2379
P3576
P6052
P6931
P3558
P109
P7007
P2165
P3574
P6050
P6929
P3556
P6924
P3551
P2367
P107
P108
P2370
P7001
Atom HG21 of residue 26
P6923
P1839
P3550
P7000
Atom HB of residue 26
P6999
P3566
P6042
P6921
ListSingletonContainer557
P3548
P6997
P6919
P3546
P3905
P2139
P3545
P3541
P6512
P1891
P1903
P6911
P3538
Atom HA of residue 26
P2540
P6910
P3537
VAL
P6909
P3536
P6908
Atom HG23 of residue 61
Model 26
P3535
P6907
P3534
P6906
P3542
P2136
P3533
P6905
P3532
P6904
Covariance1DFunction 37
P6903
P3530
P3527
P6979
P2350
P6899
P3526
P6454
ListSingletonContainer385
P3
P7388
Atom HA of residue 61
P3524
P6976
P2347
P6497
P1877
P1905
P3523
P6887
Atom HH21 of residue 72
P6893
Atom CD2 of residue 25
P3520
P3518
P6884
Atom HE of residue 72
P6993
P6888
Model 429
P3559
P1508
P2541
P6991
P6886
P6990
P6885
Atom HD22 of residue 60
P3512
P6482
P10020
P2361
P6989
P3511
P3665
P2359
P6987
P6882
P3509
P6479
P10017
P2358
P3843
Atom HD21 of residue 25
P6986
P2514
P1900
P6482
P1863
P1891
P3508
P3848
P6984
P6879
P3506
P6983
P2511
P6878
P3505
Atom HA of residue 25
P2
P6982
P6877
P3504
P3845
P6981
P6876
P3503
P3890
P6980
P6875
P3502
P6874
Atom O of residue 60
P2495
P6868
P2077
P3501
P6978
P6873
P3500
P6977
P6872
P5471
P1854
P3499
P7262
Atom HA of residue 8
P6984
P6871
ASN
P3498
P7131
P3034
Model 20
P2517
GeneralizedGuinierPorodFunction 9
P6975
P5478
P5475
Atom H of residue 5
P6870
P3497
P6974
P6441
P5993
P6869
P3496
P6972
P2050
P6947
P6867
P3494
P6970
Atom H of residue 61
P6954
P6849
Atom C of residue 59
P1821
P3482
P6423
P6417
P3476
P2209
P3816
P6949
P6844
ScoreState 37
P3477
P6418
P6412
P3471
P2504
P7373
P6948
P6444
P1816
P6843
P6411
P3470
P5191
P3514
P6975
Atom O of residue 40
P6966
P2176
P6954
P8232
P1466
P6946
P3828
P5451
P6841
P3474
P6415
P4
P1811
P160
P6837
P6419
P6940
P3778
Atom HD2 of residue 37
P6830
Atom HB3 of residue 57
P6398
P3457
P4106
P157
P6430
P1844
P4104
ListSingletonContainer543
P5176
P3499
P6939
P8217
P2352
P1452
P2463
Atom C of residue 37
P153
P6416
P1831
P2273
P6410
Atom HE22 of residue 2
P5419
P6926
P5591
P8202
P1438
P2461
P6382
P2270
ListSingletonContainer556
P6404
Atom CA of residue 10
P6803
P5207
P3430
Multivariate Normal distribution 36
P6802
P5206
P3429
P6801
P5205
P3428
P2439
P6799
P3426
P6797
P3424
P3469
P5576
P8187
P1424
P2437
Atom HA of residue 31
P6796
P3423
P6794
P3421
P2434
P6793
P147
P3420
P6792
P6791
P6995
ListSingletonContainer538
P1807
P3418
P6789
P3416
P6787
P3414
P6786
P3413
P6785
P3412
P6784
P2111
P3411
P0
P3410
P2244
P3409
P3407
P2241
Atom HH21 of residue 54
P3406
P3404
P2403
P136
P5163
P6371
Atom H of residue 51
P2067
P3397
P0
P3396
P3394
P3392
Atom HG22 of residue 55
P3391
P3389
P3728
P6331
ListSingletonContainer88
P8532
P3385
P6327
P111
P5365
P8531
Atom HB3 of residue 2
P3382
Atom N of residue 54
P3381
P2394
P3376
P3374
P2391
ListSingletonContainer530
P1765
P3373
P5340
P3371
P3365
P5856
P8393
P3364
P3363
P8392
P3362
P3407
P5514
P5413
P3510
P5855
P3361
P8391
P3359
P6728
P8387
P6331
Atom HG of residue 15
P5339
P103
P2196
ListSingletonContainer527
P3354
P2193
P3353
P3350
P3348
P3392
P2133
P3346
P8516
P6704
P3
P6278
Atom HG12 of residue 13
P3345
P8374
P3631
Model 253
P1737
P3343
P2362
P3341
P1744
P6938
P119
P2841
P7214
P2360
P6283
P2357
P6280
P87
P2
P5317
P117
P3334
P8504
P116
P3325
P2094
P8493
P2334
P8492
P5295
P3312
P5291
P2093
P3311
P5362
P3308
P2315
P5284
P3301
P5281
P3290
P2312
P5268
P3285
P1681
P3283
P2309
P3420
P8509
P5768
P3274
P5767
P3273
P5765
P3271
P3418
P5763
P3269
P3417
P5762
P3416
P5761
P3267
P3266
P6978
Atom HZ2 of residue 63
Atom HD2 of residue 11
P5758
P3264
P3412
P5757
P5750
Atom HB1 of residue 46
P3263
P3411
P5756
P3262
P2119
P3404
P5749
P3403
P5748
P2283
P3402
P5747
P1653
P3253
P3401
Atom HA of residue 57
P2282
P5746
P3252
P3400
P5745
P3251
P3398
P5743
P3249
P3397
P5742
P6621
P3248
P3395
P5740
GaussianProcessInterpolation66
P3246
ListSingletonContainer153
P3394
P5299
P3173
P8327
P3245
P3390
P3387
P8478
P5735
P3241
P5732
P2269
P1639
P3238
P3386
P5731
P3258
P6835
P3237
P6207
Atom HE3 of residue 33
P5200
P6199
P8300
Atom CD of residue 11
P3231
P6829
ListSingletonContainer507
P9724
P7109
P9709
P43
Atom CB of residue 44
ModelScoringFunction11
Atom N of residue 1
P3230
Model 432
P3229
P3228
P3224
Model 5
P8303
P3222
P3221
P4996
P3217
P5197
P4995
P3216
P5194
P4992
P3213
P5189
Atom HD22 of residue 43
P4987
P1611
P3208
P5187
P2240
P4985
Atom CD1 of residue 43
P3206
P5184
P2237
P4982
P3203
P5182
Atom HB3 of residue 43
P4980
P3201
ListSingletonContainer504
Atom H of residue 43
P5181
P2235
P1741
P4979
P3200
P1964
P8279
Atom HA of residue 43
P4978
P3199
P2219
P5177
P3536
P7
P4975
P3196
P5176
P73
P4974
P3195
P6186
P2227
P6165
P1959
P5175
P4973
P3194
P5174
ListSingletonContainer501
P4972
P1597
P3193
P6160
P7
P5173
P4971
P3192
P5170
P4968
P3189
P5168
P4966
P3187
P5167
Atom CB of residue 50
P6127
P4965
P3186
P5163
Atom CA of residue 50
P5166
P1727
P2221
P4964
P3185
P8298
P5165
P3205
P4984
P6782
P4963
P3184
P5164
Atom HH11 of residue 42
P4962
Model 8
P3183
P7846
Atom HD3 of residue 72
P1592
P5162
P4960
P3181
P5158
P4956
P3177
P5154
P4952
P3173
P5153
ListSingletonContainer498
P4951
P3172
P5152
P2208
P4950
P3171
P5151
P1713
P3178
P4957
P69
P1583
P4948
P3169
P3166
P5659
P3524
P4942
P3164
Atom CA of residue 43
P2193
P3523
P1569
P3163
P3522
P4940
ListSingletonContainer496
P3162
P5654
P3519
P4937
P3159
P4936
P3158
P3516
P4934
P1602
Atom HD13 of residue 71
P8399
P1699
P3515
P4933
P3155
P3513
P3511
P4929
P3151
P3509
Atom HG2 of residue 40
P4927
P3508
P1554
P4926
P1555
P3148
P3506
P4924
P3146
P3504
P4922
P3144
P2
P11923
P6621
P56
P3503
P4921
P3143
P3502
P4920
P3142
P5635
P3501
P4919
P3141
P3499
P4917
P2160
Atom OE2 of residue 64
P3139
P3136
P3495
GLN
P4913
P3135
P3134
P8429
P3131
P3128
ListSingletonContainer490
P3126
P3437
P7897
Atom O of residue 58
P1671
P3125
P6832
P10098
P4796
P6949
P1817
P7
P3072
P10097
P4795
P6948
P2569
Atom CG1 of residue 36
P3071
P6828
P10094
P4792
P1627
P6945
P2566
P3068
P6824
P2074
P6827
P2075
P1815
P4791
P2556
P1486
P2514
P6944
P2565
Atom HA2 of residue 35
P31
P3067
P6826
P1814
P4790
P3066
P6825
P1813
P4789
P6942
P1613
P1620
P2579
P3065
P3073
P1485
P3064
P7259
P6823
P1348
Atom O of residue 20
P4787
P1797
P3063
P6833
P1689
P6821
P1690
P4785
P8310
P3210
P3061
Model 196
SER
P4784
P1807
ModelScoringFunction13
P3060
P2064
P6819
Atom N of residue 16
P4783
Atom HB2 of residue 16
P1675
P6818
P10099
P4797
Atom HB3 of residue 16
P4782
P1471
P3058
Atom HE1 of residue 68
Atom CG2 of residue 70
Atom C of residue 14
P4781
P1795
P3417
P4888
P7741
P7740
Atom H of residue 16
Atom CA of residue 14
P4780
P3416
ListSingletonContainer482
P4833
P3056
P6814
P5215
P3369
P6539
P1797
P6536
P366
Atom HB3 of residue 68
P4778
P3414
P4831
P3054
P1793
P4767
P364
P4776
P1477
P8375
P3412
P1800
P4775
P2550
P3411
P4828
P3051
P3088
Atom CD2 of residue 68
P4374
Atom HG3 of residue 2
P4774
P3410
P4827
Atom C of residue 53
Atom HB2 of residue 19
P7700
P1336
Atom CG of residue 19
P4773
P2498
P3409
P4826
P8360
P3049
P4772
P1783
P3408
P4825
P1335
Atom CB of residue 19
P7243
P4770
P2495
P4823
P3046
P4122
Atom HD13 of residue 69
P7242
P4769
P3042
P3045
Atom HD23 of residue 15
P4121
P4768
P3044
P4120
HIS
P7244
Atom O of residue 68
Covariance1DFunction 15
P7243
P4766
P1333
P5185
P6798
Atom HG21 of residue 5
P4765
P3041
P4762
P4761
P3037
P3082
P7237
Atom CD of residue 34
P3036
P7236
P4759
P5089
P3035
P2056
Atom CG of residue 69
P4758
P1769
P4820
P3033
P4809
P3030
P5099
P6933
P11809
P6507
P3029
P4
P5673
P9211
P8235
P8219
P5705
Atom H of residue 4
P7940
P381
P7943
P3091
P8
P4514
Atom HG21 of residue 17
P2731
P4709
P5670
P6179
P1471
P3060
P4483
P2700
P3058
P4481
P2698
P230
P7385
P3917
P231
P1813
Atom N of residue 7
P4480
P1467
Atom HD2 of residue 6
P2697
P4
P3056
P4479
P2696
P8354
P2244
PHE
P3055
P4478
Atom HG2 of residue 6
P2695
P3053
P4476
P2693
ListSingletonContainer395
P8562
P3052
P4475
P2704
P8561
P2692
P6139
P2688
Atom HG3 of residue 6
P3047
P4470
P2687
P370
P5629
P8332
P2686
P8550
Atom HB2 of residue 6
P4466
P2
P361
P2683
P1445
P3042
P1453
P2167
P2682
P3041
P4464
P1325
P2681
P3040
P4463
P2680
P8549
P3038
P4461
P2678
P4658
P2161
P3037
P4460
P8532
P58
P2677
P1834
P2676
P3035
P4458
P2675
P8543
P4655
P2158
P3034
P4457
P2674
P3032
P2672
P3031
P4454
P2671
Atom C of residue 6
P3030
P4453
P0
P2670
P3029
P4452
P2669
P1431
P3027
P4450
P1439
P2667
P3026
P2666
P3022
P4445
P2662
P8531
P3019
P1386
P4442
P2659
P6109
P3018
P4441
P25
P2658
P3017
P4440
P8526
ListSingletonContainer375
P6256
P6
P3016
P1383
P4439
ListSingletonContainer44
ListSingletonContainer139
P2656
Model 169
P3015
P4438
P2664
P1382
Atom CA of residue 53
P3013
P4436
P4456
P8140
P1417
P3012
P4435
P1425
Atom HG11 of residue 17
P2652
P3011
P4434
P2651
P3010
P4433
P7863
P7860
P347
P3009
P4432
P3008
P2648
Atom HB1 of residue 46
P1377
P8519
P3006
P2646
P8290
P3005
P4428
P2645
P3004
P1370
P4427
P2644
P3001
P4424
P2641
P2639
P2998
P4421
P2647
P1364
P19
P2638
P1403
P2997
P4420
P1411
P2637
P2
P20
P2636
P2995
P4418
P2635
P4416
P2633
P1350
P2632
P2990
P4413
P2630
P2987
P2986
P4409
P5571
P7838
P2626
P1401
P2985
P4408
P2625
P22
P2624
P1389
P2982
P1397
P12
P2622
P2981
P4404
P2621
P2980
P2620
P2979
P4402
P2619
P7830
P7827
P333
P2977
P4400
P2617
P2976
P2961
ScoreState 25
P4399
P5554
ListSingletonContainer41
P2616
P3009
P6059
P8048
P1962
P2611
P2942
P4365
P2533
P2580
P8079
P3008
P1366
P5537
P5516
P322
P6043
P2985
P1375
P6178
P2939
P4362
P4359
ListSingletonContainer33
Atom HD12 of residue 13
P8253
P1510
P1513
P3
P1483
P6050
P8039
P2570
P323
P2
P8085
P5
P6048
P1335
P8083
GeneralizedGuinierPorodFunction 51
P6047
Atom CB of residue 31
P0
P1357
P8082
P1333
P6045
P2924
P4347
P5513
P5059
P2561
P4542
P5055
P2559
P1829
P5054
P2558
P5053
P2557
P1335
P8065
P11333
P1374
P6029
P2550
P1601
P5673
P2544
P5011
P7556
P2536
Atom NZ of residue 27
P6762
Atom CA of residue 25
P7529
P3833
P4116
P5012
P3740
P7618
Atom HD2 of residue 27
P6789
P1338
P8513
SingletonModifier 5
P8244
P3831
P7527
P2530
P5655
P1586
P2528
P5788
P3812
P7524
P3828
P2527
P5521
P102
P1779
Atom C of residue 61
P5530
P8541
P4547
P1
P2523
P2068
P6253
P3260
P3761
P7639
Atom H of residue 27
Multivariate Normal distribution 15
P5649
P7517
P3821
P1736
P2522
P7978
P3841
P7537
P7516
P3820
P2521
P4994
P5645
Atom N of residue 3
P7513
P3817
Atom CG of residue 64
P1741
P2516
Atom HA of residue 12
P7598
P4536
P7527
P8331
P7524
Model 121
PHE
P2507
P6235
P3242
Atom HA of residue 29
P7266
P3824
P7520
P7499
P3803
P2506
P1772
P4101
P5509
P1317
P2504
P2534
P7987
P5657
Atom H of residue 16
P3850
P7546
P7525
P3829
P1760
P7151
P6725
P3796
P7492
P2498
P2494
P3806
P7502
P0
P4959
P2487
P2485
P7949
P4504
Atom HG3 of residue 62
P7931
P4486
P2483
P6707
P3778
P7474
P2482
P8295
P4498
P2478
P2431
P5902
Atom N of residue 54
Atom HG of residue 56
P5445
P2475
P4026
P7484
P3788
P7484
Atom O of residue 53
Atom H of residue 56
P5522
P5728
P6693
P7921
P5440
Restraint 73
P3773
P7469
P1964
P1726
P12488
GaussianProcessInterpolation24
P5868
P1697
P2468
P12500
P3667
P2480
Atom CB of residue 20
P5435
P1682
P2459
P7932
P5455
Atom HB3 of residue 4
P2455
P4472
P7929
P4944
P2445
P5452
P2452
P2451
P6672
P8390
Model 270
P2428
P4914
P7459
P1671
P7900
P2449
P5566
Restraint 72
P5545
P2447
Atom CD1 of residue 4
P2446
P3756
P7452
P7431
P3735
P2443
P3753
P7449
P7428
P3732
P2440
P7170
P4016
P7474
P2432
P3993
P5548
ASN
P4445
P4
Atom O of residue 4
P2430
P4893
P7187
ARG
P1653
P4440
Atom CG of residue 2
P4422
P2425
P5670
P6634
Atom CG of residue 6
P3119
P2416
P2414
P7184
P4899
P7444
P1657
P7885
P5408
P3721
P7417
P5376
P2412
Atom HB2 of residue 16
P2291
P5686
Atom H of residue 6
P2448
P7157
P2407
P7409
P7849
P4866
P4988
Atom CB of residue 2
P4967
Atom HA of residue 58
P7850
P5373
P5365
P2539
P5794
P4416
P2404
P1658
Atom SD of residue 1
P3961
P3959
P1629
P5516
P2402
P2536
Atom N of residue 49
P2401
P2038
P7844
P7126
P5642
Atom HG3 of residue 18
P3589
P6085
P6608
Atom HG21 of residue 3
P2410
Atom HD22 of residue 15
P5379
Atom HE3 of residue 48
P7123
P3
P1615
P2394
P2391
P2388
P2520
Atom CA of residue 57
P8396
P7132
P1605
P4942
P0
P3940
ASP
P5491
Model 333
GaussianProcessInterpolationRestraint 12
Atom HA of residue 50
Atom HD11 of residue 56
P4387
P4369
P2377
P5625
P7377
Atom HD11 of residue 36
P5483
P7816
P4833
P2
P0
P2374
P5622
P5333
P3658
P2373
P3926
P2370
P7802
P8366
P2487
P1
P7363
P7103
P4364
P14
P2491
P4363
P2356
SER
P7100
P4361
P3908
P2354
Atom C of residue 45
Atom O of residue 49
P2488
P4360
Atom O of residue 55
P2353
P7072
P2349
P4931
Atom CB of residue 12
P4380
P2346
P7074
Atom HE2 of residue 48
P4898
Atom HD2 of residue 54
P7784
P5302
Restraint 67
P2345
P3626
P2344
P1580
P3893
P7341
P5451
P7340
P2343
P7781
P5284
ScoreState 11
P5299
P2342
P2340
P4343
P5430
P4331
P4796
P2339
Atom CA of residue 38
P3618
P2338
P4819
P1590
P3615
P2335
P2331
P7318
Atom N of residue 54
P2325
Atom O of residue 53
P2321
P5276
DistancePairScore 0
Atom HD13 of residue 43
P7311
P5270
P2314
Atom CG of residue 41
P7308
P5267
Atom H of residue 52
P2310
P2443
P8205
P4758
P4310
Atom CG of residue 2
P2308
P7297
P3855
P7741
P5259
P2306
P7011
P3578
P6054
P3560
P3576
P2299
Atom HD13 of residue 13
P2298
P7008
P6930
P3557
P7284
P2292
P7281
P2289
P2288
P5237
Atom HD21 of residue 50
P1503
P3556
Atom CA of residue 9
P7714
P4267
P5366
P4732
Atom HB3 of residue 50
P2281
P2414
P8173
P4726
P4278
P4264
P4729
P6994
P2278
P8267
Atom CA of residue 6
P7268
P3823
Atom CD2 of residue 50
P2277
Atom H of residue 51
Atom CA of residue 10
P8293
P2411
P4275
P2276
Atom HE21 of residue 41
P7265
Atom HG of residue 8
P2274
P7263
Atom O of residue 50
P2273
P1483
P4258
P4723
P4717
P4252
P2271
P7732
P5255
P1522
P6901
P3528
P8223
P2269
P6898
P3525
P3541
P2267
P3805
P7253
P4246
P4711
P6976
P4828
P8215
P1479
P2262
Atom N of residue 51
P1512
P5239
P1504
P10538
P5236
P4240
P4705
P4699
P4234
P2255
P2254
P4714
P4249
P4708
P4243
P1469
P4237
P4702
P4231
P4696
P2252
P6988
P2538
P6985
P6880
P173
P3507
P5203
P3523
P2251
P2250
P8130
P4709
P4244
P4232
P4697
P6962
P2249
P2244
P2241
P1328
P5187
P3510
Atom HB2 of residue 48
P1488
P1459
P4776
Atom O of residue 48
P4785
Atom HD2 of residue 6
P1444
P2228
P6934
Atom CA of residue 43
P7653
P4685
P4220
P2224
P7650
P7209
Atom HB3 of residue 48
P8173
Atom C of residue 47
P6956
P2509
P6953
P2990
P5528
P8256
Atom HG2 of residue 38
P6848
P3481
P6422
P6416
P3475
P2221
P3860
P6950
P6845
P6935
Atom HB3 of residue 41
P3500
P1435
P3488
P2219
P1435
P7199
P1289
P5158
P3481
P5157
P3480
P6922
P2211
P0
P7632
P2491
P6933
P5145
P1425
P5142
P4179
P4644
P5295
P3463
P2198
P1410
P2195
P7175
P3459
P2193
P1285
Atom CA of residue 47
P3755
P1426
P3752
P2179
P2182
Atom HG12 of residue 44
P3445
P7600
P6795
P3422
P3438
P2174
P2947
P2173
P6875
P2172
ARG
PRO
P7183
P1420
Atom CG2 of residue 29
P2331
P5105
P3706
P3704
P1391
P7587
P2171
P2944
P6896
P0
Atom HD23 of residue 43
P2169
P2167
P1382
P7591
ListSingletonContainer3
P2166
P5233
P3427
P2184
P5255
P2165
Atom HD12 of residue 43
P3454
P1410
P2423
P3
P2409
Atom HG23 of residue 55
P2926
P2378
Model 219
Atom HD21 of residue 8
P10410
P4588
P8134
P4140
Atom H of residue 68
P2154
P4126
P4591
P2153
P3535
P6829
Atom OG1 of residue 55
P5121
P2400
P2151
GaussianProcessInterpolationRestraint 6
Atom O of residue 54
P5366
P8533
P3387
P8014
P2087
P6844
P8083
P3399
P2140
P3674
P5073
P2139
P4601
P8147
P4153
P1386
P7115
Atom O of residue 71
P2272
P5503
P5500
P4118
P3396
P2137
P3395
P2136
P7112
LEU
Atom N of residue 4
P1345
P7107
P1
P1780
P2120
P3383
P2121
Model 220
P2386
Atom OD2 of residue 52
ListSingletonContainer529
P3367
P8063
P2117
P5757
P2116
P7156
P2114
P5776
P3794
P2113
P2510
P6275
P2112
P4078
P5476
P6199
P3206
P2111
P7584
GeneralizedGuinierPorodFunction 13
Atom HD22 of residue 8
Atom HA of residue 27
P3704
Atom HA2 of residue 10
P2108
P6233
P3240
Atom C of residue 13
P0
P8518
P7264
Atom O of residue 10
P3267
ModelScoringFunction16
P2106
P2500
Atom N of residue 10
P5742
P2102
P3261
P2101
Model 45
P6260
P2098
ASN
P6706
P6184
P3191
P2097
P7213
P8470
Atom HG2 of residue 24
P5538
P6256
P2094
P7210
P2093
P8505
Atom N of residue 27
P7248
P3683
Atom HA of residue 24
P6703
P3758
P5535
P6732
P2091
LEU
P1753
P1374
Atom HG22 of residue 55
P1742
Atom O of residue 59
P5491
P2089
P4951
P2085
P2084
P3749
P2716
P2082
P42
P5520
P6717
P2077
P2075
P6153
Atom HA of residue 7
P6694
P7110
P2321
P2071
Atom HD22 of residue 25
Atom HB3 of residue 20
P2070
P7220
P2061
P3216
P2059
P6679
P2474
P178
P2710
P3734
P2057
P2056
P6214
P2055
ListSingletonContainer118
P6138
P2053
Atom C of residue 20
P2072
Atom CG of residue 72
P3740
Atom N of residue 4
P2051
P2050
P6648
P5480
P6677
P2045
P0
P2043
P7288
P3191
P2041
P7070
P2039
P7880
P7162
P2402
P60
Atom NH1 of residue 54
P4448
P2038
Atom HD3 of residue 6
P5672
P6636
P3121
P6189
P2037
P4020
P5428
Atom CA of residue 12
P6117
Atom N of residue 18
P2280
P5468
P2034
Atom HG21 of residue 17
P3621
P5473
Atom HG12 of residue 17
P2029
P3176
P2027
P3610
P6097
P2427
P6106
P7055
P2025
P6171
P7264
Atom CB of residue 69
P2030
P5659
P3106
P6174
P2023
Atom C of residue 69
P8551
P2021
P3601
P2020
P2015
P5689
P2451
P7160
P3161
P2013
Atom H of residue 9
P6159
P2009
P3586
P2006
Atom CD2 of residue 68
P42
P2350
P7424
P7865
P0
P5388
P8528
P1998
Model 262
P8526
P6638
P7024
P1993
GaussianProcessInterpolation22
P1992
P1991
P1987
P4000
P2024
P8514
P3131
P1985
P2603
P1984
Atom HD12 of residue 67
P5629
P5431
P6129
P1981
P1980
P1978
P1977
P1976
P5614
P7085
P1966
P1964
P2211
Atom CG of residue 11
P5343
P22
P4937
P4
P3684
P7380
Atom N of residue 37
P3663
P5355
P3101
P3086
P1957
P2572
P1954
P6978
P5577
P1953
P1951
P1949
Atom HB2 of residue 64
P1948
P1943
P6963
P2188
P5562
P1939
P3589
P1827
P1937
P5
P5322
P1826
P1936
P8303
P1934
P2181
P3071
P3068
P2178
P1929
P5356
P6530
ListSingletonContainer564
P6524
P1927
P8340
P0
P7768
P18
P5311
P2459
P4776
P4328
P8293
P1926
P3499
P6948
P3592
P6068
P5546
P8241
P1924
P1921
P6064
P1920
Atom O of residue 63
P1914
P7025
P3490
P6484
P2
P2380
P1911
P6932
P3544
P4
P3559
P5531
P1910
P7010
P110
P1908
P1906
P3050
P188
P5328
Atom CD of residue 62
P6498
P5534
P3487
Model 22
P2233
P2260
P7019
P3910
P5516
P1896
P1895
P2142
P1900
UnaryFunction12
P7405
P105
P1894
P3566
P1498
P2291
P3035
P7123
P3026
P1887
P5306
P5309
P1885
P5266
P6022
P1881
P1879
P1878
P1882
P5501
P6500
Atom HH12 of residue 72
P6466
P7397
P3020
P1901
P5297
P3880
Atom HB3 of residue 1
P6902
P3529
P5294
P1871
Model 229
P2520
P1906
P176
P1869
P6957
Atom HG12 of residue 61
P3514
P2500
P5486
P1868
P6007
P1867
P1903
P1866
P1902
P1865
P5559
ListSingletonContainer476
P2515
P1864
P6992
P1894
Atom HB3 of residue 59
P5279
P1857
P8274
P2505
ListSingletonContainer575
P2324
ListSingletonContainer383
P1853
P5282
P1887
P1850
P2218
P2469
P1846
P7202
P1842
P5183
P5941
P1835
P2457
P1834
P1
P2205
P1832
P5462
P3841
P4726
P4261
P3
P6853
P6421
P3480
P5975
P6454
P1825
P1819
P1818
P1817
P3824
P1820
P5447
Model 15
P7570
P1368
P4555
P7095
P1807
P6839
P7094
Atom HA of residue 41
P8037
P2
P1805
P4552
P1335
P2401
P6329
P5080
P1801
P3369
P1799
P4078
P4543
P1794
P7076
P3633
P5032
P5065
P1787
P4528
P3354
P1785
Atom CG2 of residue 22
P4
Atom CG of residue 40
P5209
P7098
P488
Atom O of residue 40
P1780
P4556
Atom HG2 of residue 41
GLN
Atom HE21 of residue 2
P1778
P3348
Atom C of residue 40
P1779
P3378
P7541
Atom CA of residue 3
Atom HB3 of residue 41
P5485
P1338
P473
P5050
P1773
P8486
P6904
Atom N of residue 31
Atom H of residue 33
P4510
P10309
GeneralizedGuinierPorodFunction 1
P1765
P3670
P3
P3491
P5394
P6794
P8012
P1763
P4047
P5158
P7046
P3603
P5002
P5007
P1758
P7985
Atom HA of residue 38
P1
P1756
P463
Atom H of residue 67
P7019
P1754
P4595
Atom CD1 of residue 67
P1752
P1750
P3318
P1751
P6779
von Mises sufficient 3
P7997
P1749
P5142
P7031
P3306
Atom HB of residue 66
P3324
P1757
Atom HB2 of residue 38
Model 334
P4021
P5411
P5408
P4018
P6744
P7914
P1738
P7020
P0
P2
P3303
P1736
P2812
Atom H of residue 30
P10287
P458
Atom N of residue 31
P7982
P1742
P7462
P1735
Atom HD13 of residue 30
P4014
P453
P5005
P1726
P1994
P1722
P3288
P1723
P3421
P5323
P5766
Atom O of residue 34
P3272
Atom HD2 of residue 27
P3559
P448
Atom H of residue 36
P1721
P3285
Atom CD1 of residue 36
P3999
P7966
P7001
P1719
P3279
P1715
P1712
P1708
P3273
P1709
Atom O of residue 10
P3406
P5751
P8441
P6834
P3257
P5334
P2782
P8518
P6734
P7431
P4447
P4429
P6713
P1707
Atom C of residue 34
P4975
P3267
P1701
Atom HG21 of residue 13
P1703
P3264
Atom CA of residue 35
Atom H of residue 4
Atom HG22 of residue 12
P1698
P3975
P7942
P4924
P3525
Atom OE2 of residue 34
P1970
P7416
P6716
P4432
P1951
P4414
P6698
P7868
P1694
P3258
Atom HE2 of residue 11
Linear1DFunction 40
P1695
P10
P3391
P5736
P3242
P1
P1691
P3528
P4927
P4960
P1689
P3249
P1687
Atom H of residue 28
P1876
P1684
P7403
Atom CB of residue 28
Atom HG21 of residue 17
P6952
P1875
P8309
P3227
Atom CA of residue 63
P3252
Atom HA2 of residue 76
P1872
P3243
P1680
P7865
P7401
P5350
P4399
P6683
Atom H of residue 76
P1871
P1679
P6703
P3954
P3936
P1678
P1867
P1675
P1865
P3234
P1673
P1310
P1670
P1669
Atom HB3 of residue 74
P1667
Atom CG of residue 38
Atom CB of residue 14
P4908
P7837
P4911
Atom CB of residue 62
P1665
P5291
P3165
P6688
P3939
Atom O of residue 62
P3219
P1659
P7826
P1656
P3211
Atom HD12 of residue 23
P418
P1655
Atom CA of residue 74
P1651
P1658
P7372
Atom HB3 of residue 15
P1641
P2232
P4976
P3197
P1789
P3481
P10196
P7821
P7890
P1649
P1787
Atom HB of residue 26
P5015
P4381
P1648
P1644
P1
Atom HG2 of residue 74
P6924
MET
P1646
P10181
P7806
P413
P4878
Atom HA of residue 73
P1642
P2050
P4961
P3182
P3198
P1638
P5702
P1323
P2222
P3555
Atom H of residue 15
P6658
P3909
P3465
P7868
P1628
Atom HH22 of residue 72
LEU
P1630
P1625
Atom HH11 of residue 72
Atom HH21 of residue 72
P1627
P1633
P7345
P1626
ModelScoringFunction10
Model 212
P3167
P3894
Atom O of residue 60
Atom CB of residue 60
P6889
P3192
THR
P6880
P3183
P1624
P10166
P7791
P2
Atom HD3 of residue 72
P1623
Atom NH2 of residue 72
P7859
Atom HB1 of residue 28
P4985
P4351
P1620
P1619
P6932
P3473
Atom N of residue 23
P4884
P6893
P4850
P7329
P1618
Atom CA of residue 13
P1617
P7853
P1616
P1611
P1613
P1612
P3512
P3152
P6865
P3168
P1610
P394
P1603
P1597
P3497
P4915
P3137
P6850
P3153
P1596
P6869
Atom HA of residue 58
P1595
P4856
P7308
P389
P7296
P7760
P1871
P6613
Atom HG3 of residue 19
P5259
P6598
P4832
P3864
P11867
Atom CD of residue 40
P6612
P1593
P1591
P7823
P7817
P4818
P7825
P1588
P1723
P4822
Atom HG22 of residue 22
P6854
P7745
P4817
P1581
P7757
P7293
P4304
P3844
Atom CA of residue 76
P6597
P383
P1
P1579
P7746
P1574
Atom H of residue 70
P3129
P7283
P1575
P6834
P1563
Atom CG of residue 71
P7808
P3123
P1568
P3144
P6841
Atom HA of residue 2
P1569
P5240
P3394
P3385
P5231
P6564
P6561
P378
P1698
P2091
P8230
P3382
P5228
P6836
P1565
P3390
P1562
Atom HD13 of residue 69
P2119
Atom C of residue 71
P5251
P6584
P7727
P4945
P1560
Atom HD11 of residue 69
Atom CB of residue 71
P1699
P6831
Atom C of residue 71
P1558
Atom HB2 of residue 69
P1557
P3108
P1554
P1561
P7268
P1556
P1555
P6546
P1551
P3375
P7778
P4780
P4910
P4276
P1550
Atom N of residue 69
P1549
P1548
P4774
P6816
Atom C of residue 14
P1546
JeffreysRestraint_P0
P1544
P1543
P1542
P1671
Atom HA of residue 69
P1540
P3093
P1541
P6531
P11853
P6551
P3360
P1674
P1535
P1534
Atom HD22 of residue 15
Model 93
P7695
P3084
P1533
P1528
P6822
Atom C of residue 16
P4786
P3062
P3078
P1526
P2530
P7753
P1520
P4744
P6786
P1518
P7220
P1516
Atom CD2 of residue 67
P1515
P6782
P1514
P4371
Atom C of residue 22
P7699
P3362
P6532
P6529
P363
P7244
P4771
P3407
P4824
P3047
P359
P7217
Atom OG1 of residue 9
P3063
P1512
P1509
P3774
P3756
P1510
P3330
P4885
P1507
P7737
P1506
P3054
P1505
P4729
P6771
P1504
P7205
P1502
P1498
P3048
Atom OG1 of residue 66
P1500
P1499
P4811
P3032
P3762
Atom N of residue 66
P4749
P3759
P3315
P4720
P4222
P4870
P4847
P1493
P1490
P7190
P1488
P1487
P1474
Atom H of residue 66
P4331
P7718
P6749
P1481
Atom C of residue 75
P1483
P2450
Atom C of residue 3
P3744
P8217
P1479
P1478
P3024
P1477
P1472
Atom OE1 of residue 64
P1471
Atom CD of residue 64
P4684
Atom CG2 of residue 66
Atom OE2 of residue 64
P7174
P1473
P8208
P6734
P1469
P4690
P4186
P1466
P1467
P6716
P3714
P1465
P1460
P4713
P4215
Linear1DFunction 12
P4298
P7685
P1456
P3003
P1457
P6748
Atom H of residue 65
P7189
SER
P1455
P6718
P1453
P3270
SingletonScore 21
P1450
Restraint 1
P1446
P3255
P2112
Atom C of residue 64
P8207
P2111
P6504
P1444
P2108
P6703
P7668
P2985
P2107
P2106
P4820
P1439
P3
P1578
P4732
Atom HH21 of residue 74
P8172
P1437
P2081
P4733
P4654
Atom HH22 of residue 74
P1436
P4274
P7661
P2979
P1435
Atom CA of residue 65
P8192
P1428
P2973
P4778
Atom O of residue 62
Atom CD of residue 74
P2094
P1427
P6688
Atom C of residue 62
P2970
P2093
P1423
P8157
P7652
P7651
P2092
P1425
P1422
P2964
P1421
P6677
P3675
P3225
P2084
P6503
P8177
P4787
P2080
Atom O of residue 72
P1413
P1786
P6467
P6673
P2079
P7637
P7636
P2078
P6661
Atom NH1 of residue 72
P4120
P46
P4624
P6667
P2073
P7630
Atom HD11 of residue 73
P3210
P2070
Atom CB of residue 12
P4618
Atom HB2 of residue 73
P1403
THR
P1400
P2943
P4772
P8039
P2048
P2066
P1399
P6658
P6661
P2047
P2940
P2065
P3654
P1528
P8048
P7622
P7621
P2064
P1784
P2045
P4688
P7701
P3208
P4600
P2061
P1394
P4696
P1781
P2042
P1390
P51
P2934
P1393
P1778
P2039
Atom CG of residue 60
P5040
P3645
P3195
P2056
P1389
Atom HD12 of residue 61
P7118
Atom N of residue 74
P8147
P1776
P7642
P2037
ListSingletonContainer171
P2055
P2053
P4091
P1388
P2759
P2036
P4606
P2054
Atom C of residue 60
P3204
Atom CD1 of residue 71
P1386
P2928
P4757
P2040
P6643
P8106
P4111
P3639
P7607
P2744
P6439
P1383
P1380
P2031
P40
P4673
P3193
P3172
P2029
P4681
P1767
P2028
P1379
P1707
P1764
P2025
P6634
P1376
P6632
Atom CZ of residue 59
P1372
P1368
P2911
P7136
P4152
P6424
P1367
P6626
P1323
P0
Atom HA of residue 70
Atom HA of residue 5
P3184
P3622
P8016
P7590
P3178
P1313
P1362
P4583
P1364
P2906
Atom O of residue 59
P1705
PHE
Atom HD13 of residue 8
P7634
P3173
P6622
P8092
Atom HD13 of residue 71
P2902
P1361
P6617
Atom HD3 of residue 72
Atom HD21 of residue 69
P1358
P6614
Atom HB2 of residue 71
Atom HH11 of residue 72
Atom HD13 of residue 69
P1357
P1353
Atom OD2 of residue 58
P7071
P4725
P7575
P8079
P1348
P2012
P4162
Atom HG11 of residue 70
P4129
P7113
P6395
Atom H of residue 57
P1341
P4045
P3593
P3575
P1340
P7987
P1339
P3149
P6328
Atom HA of residue 2
P7113
P5130
Atom C of residue 27
P1411
Atom N of residue 25
P1327
P5984
P1324
P10
P2953
P8237
P6905
P1323
P6915
P1322
P1532
P8203
P1321
P3938
P7465
P1310
P2312
P6858
P3485
P1306
P8152
P5162
P2153
P6120
P4133
P7268
P8555
P1768
P4561
P1767
P197
P2073
P5711
P5508
P5714
Covariance1DFunction 88
P2066
P2471
P7892
P5684
GLU
P3589
P7761
Atom OD2 of residue 52
P5270
P1536
P3543
P6833
P6788
P1385
LEU
P5244
P2098
P6577
Atom HB of residue 30
MolecularDynamicsMover8
P3132
P2187
P4925
P3147
Atom HA of residue 54
P3395
P1893
P1856
Atom O of residue 12
P1798
P8441
P6055
P4302
P7616
P1773
P2034
P3585
P5869
P4066
P3049
P12828
P7526
P4049
P5531
P1382
P6323
P2214
P51
P3378
P1775
P8004
Atom H of residue 63
P4955
P6537
P4059
P8443
P4158
Atom HB3 of residue 41
P3043
P12822
Atom HB2 of residue 41
P7520
P8381
P8764
P4770
P5873
P7754
P8201
P4769
Atom C of residue 76
P7793
P5252
P5757
P5713
Atom H of residue 75
P5311
Atom O of residue 75
P7472
P7481
Atom HD3 of residue 6
Atom CA of residue 75
P5308
GLY
P4306
Atom HH21 of residue 74
P2250
Atom HH12 of residue 74
P8440
P2556
P3003
P4395
P4024
P8745
P4751
P1546
P2254
P5689
Atom HE of residue 74
Atom HD3 of residue 74
P1768
P11000
P4
P5743
P8410
P4023
P5699
Atom HG3 of residue 74
P4020
Atom HB2 of residue 74
P8178
P8154
P7455
P0
P5701
P5692
Atom H of residue 65
P176
P1
Atom H of residue 74
Atom NH1 of residue 74
Atom HB2 of residue 48
Atom CZ of residue 74
P4297
P8171
P5700
P8351
P2671
P5694
P4291
Atom HA of residue 48
P4300
Atom NE of residue 74
P4735
P8170
P2241
Linear1DFunction 32
Atom CD of residue 74
P1567
P7488
Atom ND1 of residue 68
P5728
Atom HD23 of residue 73
P4723
P8158
Atom HD13 of residue 73
P4736
P4010
P8398
P3998
P8159
P7460
Atom HB3 of residue 65
P7439
P7715
P5674
P8386
Atom HD11 of residue 73
P8193
P7753
P5212
P5717
P2221
Atom O of residue 47
P5272
Atom HG of residue 73
P3915
Atom N of residue 37
P8711
P4717
P5274
P1738
Atom CG of residue 71
P2213
P3988
P1736
P165
P4712
P8147
Atom CG of residue 73
Atom HA of residue 6
Atom CD2 of residue 67
P5199
P3987
P8712
P8504
P6096
Atom ND1 of residue 68
P163
P7428
P2212
P8385
Atom N of residue 71
P5663
Atom O of residue 73
P5261
Atom C of residue 73
Atom CB of residue 64
P7437
P8324
Atom HD12 of residue 67
P7425
P3984
Atom C of residue 46
P5660
GaussianProcessInterpolationRestraint 19
LEU
P5158
P4256
Atom HH12 of residue 72
Atom HD21 of residue 50
P8138
P7694
Atom HE of residue 72
P8132
Atom HG3 of residue 72
P1722
P3973
P1937
Atom HG2 of residue 72
P7689
P5247
Atom HB3 of residue 72
P5645
P7440
P4248
P7405
P4247
P4
Atom CA of residue 72
P3956
Atom N of residue 72
P7667
P8108
Atom HD12 of residue 71
P8107
Atom HD11 of residue 71
P5139
P5773
P5127
Atom HG2 of residue 29
P8343
P5124
P8110
Atom HD2 of residue 29
Model 357
P3948
Atom HG of residue 71
P2916
P4017
Atom CA of residue 30
Atom HB2 of residue 1
Atom HZ2 of residue 33
P8661
P4667
P5618
P8334
Atom CD2 of residue 71
P3936
Atom CA of residue 71
P2163
P5208
Atom HG23 of residue 70
P8093
Atom HG13 of residue 3
P3931
Atom HG21 of residue 70
Atom HB of residue 70
P4208
P1
P4202
Atom CD1 of residue 4
P4211
P8317
Atom H of residue 70
P8651
P8447
P1448
P134
P5633
ARG
P4196
P4199
Atom HD21 of residue 69
P8311
P7662
P8291
P8103
P10940
P5118
P5626
P5082
P8297
P7347
P5582
P3906
Atom HB2 of residue 69
Atom H of residue 69
Atom CD1 of residue 69
P8426
P4180
P7616
P8057
Atom CB of residue 69
Atom O of residue 69
P5172
Atom C of residue 69
P6004
P7337
P4172
Atom CA of residue 69
P5571
P2129
Atom HB3 of residue 68
P7362
P4171
P7360
P4169
P1807
P7381
P8080
P2586
P5603
P5059
Atom NE2 of residue 62
P1807
P8269
P4157
P7593
P1792
P8034
P5704
Atom CA of residue 68
P4601
HIS
P5995
Atom O of residue 59
P7325
P117
P7328
P5714
P1794
Atom HB3 of residue 67
P5545
P8582
P1793
P4590
Atom HB2 of residue 67
P6831
P76
P7337
P4143
P5034
P7579
Atom HE3 of residue 11
P5690
Atom H of residue 67
P5135
Atom CD1 of residue 67
P7300
P5535
Atom CB of residue 67
P5528
P1979
Covariance1DFunction 64
LEU
Atom HG21 of residue 66
P1770
P8006
P4132
P8041
P5564
P5020
Atom HG2 of residue 2
Atom OG1 of residue 66
P4565
Atom C of residue 66
Atom HG of residue 65
P5515
P1765
Atom HD21 of residue 15
P4560
Atom HB3 of residue 65
P1756
P7991
Atom HB2 of residue 65
P4112
P5107
Atom HA of residue 65
P5014
P7559
P5938
P7271
P5506
P1585
P200
Atom O of residue 22
P3825
P5109
P1584
P5946
P7279
P2537
Atom CA of residue 65
Atom CA of residue 28
Atom H of residue 12
P5001
SER
Atom HG2 of residue 64
P8266
P5536
P4988
P4992
P3837
P7533
P7512
P3816
Atom OE2 of residue 64
Atom CB of residue 64
P4564
Restraint 39
P1782
P4576
P8247
P1781
P6252
P3259
P8260
P7283
Atom CG2 of residue 5
P4534
P1568
P7504
P3808
Atom CA of residue 64
Atom CD2 of residue 8
P6247
P3254
P7278
P1728
P4516
P7961
Atom HZ1 of residue 63
P5077
Atom HE3 of residue 63
P8505
P0
Atom H of residue 23
P1551
Atom H of residue 25
Atom CE of residue 63
Chain A
P4061
Atom N of residue 65
P5002
P5935
Atom HG1 of residue 55
P7268
P1757
LYS
P7150
P2757
P3858
ListSingletonContainer269
P2514
P2099
Atom N of residue 63
P2446
P5499
P4951
P2457
P2415
P2443
P66
Atom CA of residue 57
P4955
P70
P1708
Atom HE21 of residue 62
P4967
P4049
P1714
P3809
P7505
Model 340
P1716
P1705
P5452
Atom HB3 of residue 62
P7143
P6717
P1704
Atom HB2 of residue 62
Atom HA of residue 42
P7141
P2100
P6715
Atom HG23 of residue 9
P70
P3770
Atom H of residue 62
P2488
P1565
P3789
P7485
P7464
P3768
P2474
Atom CG of residue 62
P2484
P4943
P7938
P4493
Atom CB of residue 62
GLN
P4038
Atom HG11 of residue 26
P7211
Atom HA of residue 21
P10748
Atom CD1 of residue 56
P4035
P5438
Atom N of residue 62
Atom HD13 of residue 61
P4936
Atom HD12 of residue 61
Atom HD11 of residue 61
P7914
P0
P2460
P5468
P7233
P3775
P7471
P7450
P3754
Atom N of residue 4
Atom HG13 of residue 61
P4024
P7190
P5037
P5425
Atom CD1 of residue 61
P7462
P4927
P1674
P4921
Model 343
Atom HG12 of residue 5
P4471
Atom CG2 of residue 61
P2491
P4920
P7185
P4470
Atom CG1 of residue 61
Atom CB of residue 61
P8430
P4167
Atom CG2 of residue 3
P2684
P13365
P7605
ListSingletonContainer228
Atom O of residue 61
Atom N of residue 61
Atom HB2 of residue 19
P3752
P7448
P7427
P3731
Atom HB2 of residue 60
Atom N of residue 12
Atom C of residue 19
Atom CG2 of residue 22
Atom CB of residue 19
P3651
Atom CZ of residue 42
P6671
Atom H of residue 60
Atom ND2 of residue 60
P5403
P4905
Atom OD1 of residue 60
Atom HG13 of residue 3
Atom CB of residue 60
P5441
Atom HB3 of residue 60
P5395
P4900
Atom CD1 of residue 15
P4447
P4442
Atom HE1 of residue 59
P7152
P1651
P1
Atom CE1 of residue 59
Atom CD2 of residue 59
Atom CD1 of residue 59
Atom CG of residue 59
Atom CA of residue 17
P2413
Model 40
P5498
P7393
P3697
Atom OD1 of residue 58
P7433
P5397
Atom HA of residue 57
P5351
Atom OG of residue 57
Atom C of residue 57
P5342
P7826
Atom N of residue 57
P2347
P7421
P7862
P5385
Atom HD12 of residue 56
P5337
Atom HG of residue 56
P7819
P7113
P2309
P7101
Atom HB3 of residue 56
P5335
P7099
Atom HA of residue 56
P7140
P8416
P1638
P3655
Atom CD2 of residue 56
P7137
P1637
P1997
P5479
P7812
P4829
P4380
Atom CD1 of residue 56
P5630
P17
Atom CG of residue 56
P3651
P2368
Atom CB of residue 56
Atom C of residue 56
Atom N of residue 56
P7403
Atom HG23 of residue 55
P7086
P2372
P7356
P4365
Atom HA2 of residue 35
P5318
Atom HB of residue 55
P2594
P8363
P7798
P1
P8535
P2252
P5643
VAL
P3116
P1971
P3911
Atom C of residue 64
P0
P8339
Atom OG1 of residue 55
P1581
P1
P1616
P2350
Atom HE2 of residue 63
THR
P3946
P3628
Atom HH21 of residue 54
P7827
P7109
P1609
P7782
Atom HG3 of residue 54
P3905
P1572
P5310
P5295
P1
P1571
Atom HE3 of residue 63
P2351
P8230
P1560
Atom HG2 of residue 54
P7061
Atom HB of residue 5
P4342
Atom HB2 of residue 54
Atom HZ3 of residue 33
P3617
P1557
Atom HA of residue 54
P3927
P6550
P3969
P5386
P7060
Atom CD of residue 54
Atom CG of residue 54
P7050
Atom C of residue 4
Atom O of residue 54
P3606
Atom C of residue 54
Atom HD3 of residue 33
P5281
ARG
P7318
P3872
Atom C of residue 53
P5600
P3980
P7071
P5369
P7043
P3620
P1547
P1536
P5314
P2462
P4779
P4331
P1546
P2327
P10578
Atom O of residue 43
P8203
P1535
Atom HB3 of residue 52
Atom HB2 of residue 52
Atom HE2 of residue 11
Atom HA of residue 52
P5401
P4302
P4767
P7030
P1537
Atom CA of residue 1
P3601
P2323
P3597
P2319
Atom CB of residue 1
Atom C of residue 10
Atom O of residue 52
P0
Atom CA of residue 52
P7029
P3596
P6072
P3594
P2315
Atom N of residue 52
Atom HG2 of residue 51
Atom CG1 of residue 26
Atom O of residue 10
Atom CB of residue 26
Atom HB3 of residue 51
Atom HB2 of residue 51
P7017
P2259
P5253
P5289
Atom O of residue 51
Atom C of residue 51
Atom CA of residue 45
P1513
P2290
GLU
P7275
P3830
P1353
P2
THR
P1518
Linear1DFunction 21
Model 317
P7168
P201
Atom HZ1 of residue 63
P7032
P7274
P1349
Atom HD11 of residue 50
P5663
Restraint 121
Atom HB2 of residue 50
P7709
P6993
Atom H of residue 50
P5653
P7264
P3542
Atom N of residue 50
P1530
Atom CG of residue 8
P4251
P4716
P6981
P1529
P5218
P3538
P1525
P4725
P4260
P4248
P4713
Atom HA of residue 49
P5252
P7249
P4826
P8213
Atom NE2 of residue 49
P8139
P5193
Atom CD of residue 49
P6970
P1319
Atom CG of residue 49
P5204
P3527
P1473
Atom CB of residue 49
P8233
P4798
GLN
P7382
P3521
Atom HZ3 of residue 48
P4703
P4238
P4226
P4691
P8249
P2381
P6956
P2179
Linear1DFunction 11
P5185
P3
P3508
Atom NZ of residue 48
P7223
Atom C of residue 49
P8187
Atom CE of residue 48
P5168
Atom CD of residue 48
Atom CG of residue 48
Model 108
P4773
LYS
P6459
P2523
P2318
P6864
P3491
P5268
Atom CG of residue 59
P1824
Atom H of residue 47
Atom CB of residue 59
P5255
P1823
P5321
Atom O of residue 47
P2357
P10476
Atom HE21 of residue 41
P5318
GLY
P7647
P7206
P1300
P8170
Atom N of residue 47
P2366
P4673
P4225
P8162
Atom C of residue 48
P2231
P7205
P5316
Atom HB3 of residue 46
P4675
P4210
P3819
P6952
P7633
P1443
P2343
P1429
P7192
Atom HG3 of residue 74
P8156
Atom HE2 of residue 45
P4747
Atom HD2 of residue 45
Atom HB3 of residue 45
P7042
P5244
P2945
P1841
P3740
P3741
P7185
Atom HD12 of residue 15
P3743
Atom HA of residue 45
P5229
Atom OG of residue 57
P1840
P5154
P3477
P6919
P7194
P8158
P2210
P7607
P8071
P5136
Atom CD1 of residue 45
Atom N of residue 45
P3729
P2187
P3726
P3448
P8129
Atom HG22 of residue 44
P10448
P2122
P1415
P8059
P6889
P4722
Atom HG21 of residue 44
Atom CD of residue 38
P1441
P3709
Atom N of residue 39
P1401
P2186
P6878
P0
P3437
P1389
P1388
P4708
ILE
P5236
P3430
Atom HD22 of residue 43
ModelScoringFunction20
P0
P5257
P8110
Atom HD21 of residue 43
P1421
P5147
Atom HG of residue 43
Atom HA of residue 43
P5099
P7136
Atom CD2 of residue 43
P8092
P1362
LEU
P7126
P1360
Atom HH22 of residue 42
P3405
P1201
Multivariate Normal distribution 6
Atom HH11 of residue 42
P7560
P2085
P6842
P0
Atom HG2 of residue 42
P6986
P7493
Atom HB3 of residue 42
Atom HA of residue 5
P5765
Atom NH2 of residue 42
Atom CA of residue 5
P3961
P2571
P154
P3466
P7010
Atom N of residue 1
P6983
P6981
Atom CZ of residue 42
Atom H of residue 13
P8358
P5845
Atom HA of residue 5
P68
P3393
P5738
P3244
Atom CA of residue 42
Atom HE21 of residue 41
P4652
Atom HB2 of residue 41
Atom HD23 of residue 69
P1171
Atom NE2 of residue 41
P5183
Atom H of residue 54
P5171
P8542
P6847
Atom CD of residue 41
P5090
P7087
P2363
Atom HA3 of residue 53
Atom HB3 of residue 69
P0
P3366
P7083
P7523
Atom HE21 of residue 40
P3270
P5839
P12090
GLY
Atom HG2 of residue 40
Atom N of residue 53
P5835
P5118
Atom HB2 of residue 40
P3264
P2181
Atom HA of residue 40
P5833
P5116
Atom HA of residue 52
P7514
Atom H of residue 40
Atom OD1 of residue 52
P3352
Atom CD of residue 40
Atom CB of residue 52
P6706
P6280
Atom HA of residue 1
ListSingletonContainer525
P3347
P8043
P3363
P1792
P12126
P3703
P6824
P37
P2352
Atom HE22 of residue 31
P1344
P2089
P493
P5067
P7064
Atom HA of residue 68
P6821
P7050
P0
Atom N of residue 52
P4516
P7496
P1774
P7502
P4522
Atom N of residue 40
P5819
P5103
P2
Atom HB2 of residue 39
Atom CD2 of residue 68
Atom HA of residue 39
P4615
Atom H of residue 39
P3338
Atom OD1 of residue 39
P7231
P2858
P6810
Atom O of residue 39
Atom C of residue 39
Atom HD22 of residue 69
Linear1DFunction 18
P2250
Atom HD23 of residue 67
P7228
P2855
P6807
ASP
P7488
P4508
P1316
Atom HA3 of residue 10
Atom N of residue 39
P1333
P8010
P7992
Atom HD13 of residue 67
Atom HD2 of residue 38
Restraint 158
Atom HG23 of residue 30
P5048
P7045
P5046
P7043
P3336
Atom C of residue 68
P2799
GLN
P8461
P1766
Atom CG of residue 38
P7477
P4497
Atom CB of residue 38
PRO
P5460
P479
P5034
P7031
P4028
P2148
Atom CB of residue 37
P4017
P5405
P4015
P6741
P7911
P5130
Atom OG1 of residue 66
Atom C of residue 37
Atom HD11 of residue 36
P3465
P5368
P6768
P1990
Atom HG22 of residue 36
P5009
P7006
P6211
P2767
Atom HB2 of residue 58
P88
P2805
P5779
ListSingletonContainer519
P3642
P6757
Atom CB of residue 36
P9755
P7140
P9743
P1798
P1985
Atom HA of residue 64
Atom CA of residue 36
Atom N of residue 36
Atom HA3 of residue 35
P3274
P3271
Atom C of residue 35
P6197
ListSingletonContainer72
Atom HG of residue 57
Atom N of residue 35
Linear1DFunction 16
Atom HG3 of residue 34
Atom HB3 of residue 34
P3410
P5755
P3261
Atom HG21 of residue 14
P2786
P6738
Atom HA of residue 34
P3408
P3405
P8495
P5753
P3259
P4981
P6977
P1696
Atom OE1 of residue 34
P6968
ScoreState 3
Atom CA of residue 34
Atom HZ2 of residue 33
P2136
Atom HE3 of residue 33
Atom HD2 of residue 33
P4526
Atom N of residue 2
Atom HG3 of residue 33
P3385
P5730
P3236
P7920
Atom C of residue 76
P1869
P1677
P0
Atom H of residue 5
GaussianProcessInterpolationRestraint 3
Atom HA of residue 33
P6202
P8302
Atom H of residue 29
P3234
P12975
P4154
Atom CD of residue 33
P12981
P2760
P12353
Atom C of residue 33
P7070
Atom C of residue 29
P3375
P3314
P3305
VAL
Atom HA of residue 32
P7227
P8303
P8068
P5591
P5842
P2087
P3930
P2829
Atom CG of residue 32
P6345
P2086
Atom CB of residue 32
P6831
P2085
P6275
P115
P2496
P5974
P4591
P1796
P2084
P6272
Atom HG22 of residue 26
P2189
P12179
P2438
Atom HB2 of residue 31
Atom H of residue 31
P5911
Atom CG of residue 31
P6915
P8226
P2272
Restraint 163
Atom C of residue 50
P25
P3029
Atom CB of residue 31
P12271
GLN
P6020
P12287
P3454
Atom O of residue 31
P3836
Model 235
Atom C of residue 31
Atom CA of residue 31
Atom HD11 of residue 44
P8311
Atom HD12 of residue 30
P6822
P85
P3378
P3565
Atom HG23 of residue 30
Atom HB of residue 12
P4166
Atom HG22 of residue 30
P2334
Atom HG13 of residue 30
P5820
P5365
P3239
P5808
P5092
Atom H of residue 35
Atom CD2 of residue 8
Atom H of residue 47
P6881
P3432
P16
P8362
Atom O of residue 8
P6418
P5906
ListSingletonContainer276
P6350
Atom HD3 of residue 29
P6879
P114
Atom N of residue 8
P8346
Atom HG3 of residue 29
P8312
P156
P10957
P5655
P5897
Atom HA of residue 29
P6857
Atom HZ1 of residue 6
P8338
Atom O of residue 34
Atom CD of residue 29
P3404
P5
P7483
P10
P3907
P4275
P2883
Atom CB of residue 18
P21
P8334
Atom CA of residue 29
P7480
P3904
P8331
Atom HD3 of residue 33
Atom HB1 of residue 28
Atom HD2 of residue 33
P8327
Atom HA of residue 28
ListSingletonContainer183
P7269
P5680
P6843
P6842
P12645
Atom O of residue 28
Atom HG12 of residue 17
Atom CE of residue 6
Atom C of residue 28
P98
P8405
P6099
ALA
P7691
Atom HA of residue 45
P4208
Atom HZ2 of residue 27
P5808
P1
Atom HG13 of residue 44
P13330
P2648
Covariance1DFunction 41
Atom HE3 of residue 27
Atom CG2 of residue 26
P2118
P6245
P3252
P7276
Atom CG1 of residue 26
P7236
Atom HG3 of residue 27
Atom HB3 of residue 27
P5611
P13485
Atom CB of residue 28
Atom HA of residue 27
Atom CB of residue 26
P6261
P6782
P7282
P8535
Atom CE of residue 27
P4221
Atom CB of residue 27
ListSingletonContainer308
Atom N of residue 27
Atom HB of residue 26
ASP
P2305
P11
Atom HG23 of residue 26
Atom HG22 of residue 26
Atom HG11 of residue 26
P8344
P1899
P3046
P1897
P2365
Atom CG2 of residue 26
P12227
Model 230
P3
Atom CG1 of residue 26
P5593
Atom CB of residue 26
P6912
P3539
Atom CA of residue 26
MD 19
P1543
Atom HB1 of residue 46
P1540
Model 19
P5310
Atom HB3 of residue 25
P5211
P11465
P7928
Atom CG of residue 25
Atom CG of residue 51
P6928
P7957
P4568
P4417
Atom CD of residue 63
P4492
P6593
ASN
P5280
Atom HG3 of residue 51
P8487
THR
P7032
P3514
P3062
P12841
P7539
P7815
P4385
Atom HB2 of residue 24
P3059
P12838
P7536
P15
P2603
Atom HD13 of residue 23
P7014
ListSingletonContainer369
P3496
Atom HB2 of residue 27
Atom HA of residue 41
P6562
Atom HB of residue 13
P7872
P6027
Atom HD11 of residue 23
Atom HB2 of residue 73
Model 55
Atom HG12 of residue 36
Atom HG22 of residue 23
Atom OG1 of residue 12
P7007
Atom C of residue 8
P7005
P3493
Atom HG2 of residue 42
P3487
P4084
P8376
P3578
P5862
P4059
P12809
P7507
Atom CB of residue 36
Atom CB of residue 23
P5379
P1836
P5778
P2584
Atom CA of residue 23
P2583
ILE
Atom N of residue 23
P3048
P3027
Atom HE3 of residue 27
P12827
P7525
Atom HG21 of residue 22
P3046
P12825
P7523
P4042
P152
P2630
Atom CG2 of residue 22
Atom CD1 of residue 30
P179
P7572
P7849
P4165
P2802
P5834
P7675
P1473
P7666
P8340
LYS
P8107
P10932
P5110
P5630
P2871
P3972
P0
Atom CA of residue 22
P2569
P3959
P3956
P2566
P3461
P3009
Atom HB2 of residue 21
P3031
P4027
P7830
P6958
Atom CB of residue 39
P2560
P7478
P6450
Atom H of residue 25
P8445
Atom OD2 of residue 21
Atom CE of residue 6
P7474
Atom C of residue 21
P8460
P4102
Atom CA of residue 21
P8221
P7781
P4790
Atom H of residue 49
P5745
P5997
Atom N of residue 25
P3447
P4096
P2995
P6964
P0
P3
P7822
P4385
P2993
P4017
P1958
P5819
P7464
P5780
Atom CG of residue 24
P5731
P5970
P6426
P3433
P2984
P4085
P7811
Atom HG3 of residue 19
P6950
Atom O of residue 24
Atom HD3 of residue 19
P5985
P1947
P38
P8422
Atom HG2 of residue 19
P8732
P4738
P6978
P5976
Atom OD1 of residue 39
Atom HA of residue 34
Atom HG23 of residue 23
P8412
Atom CA of residue 19
P11023
P8370
P5716
P8245
P7362
P6936
P2
P8409
Atom HB of residue 23
PRO
Atom HD12 of residue 36
Atom HG2 of residue 18
P5831
P3914
Atom HB3 of residue 18
THR
P2233
P8164
Atom C of residue 66
P8155
P7456
P8342
P8143
P7444
P8276
Multivariate Normal distribution 43
Atom CB of residue 23
P8250
Atom CE1 of residue 4
Atom H of residue 18
Atom OE2 of residue 18
Atom OE1 of residue 18
Atom CD of residue 18
Atom O of residue 18
P3903
Atom C of residue 18
P2838
P4261
Atom O of residue 75
P5930
P7145
P12952
P4131
P6615
Atom H of residue 17
P7139
P7994
P3618
P83
P7667
P6682
P5964
Atom CA of residue 17
P1955
P119
P7127
P7662
Atom HB3 of residue 16
P7630
P4270
P13442
P7116
P6588
Atom O of residue 16
P3146
P195
P7113
P196
P4096
Atom N of residue 16
P7647
P4258
P4178
P4542
P2695
P7109
P7966
P3590
P2694
Atom HG of residue 15
P7102
P191
P4170
P6133
P2687
P7608
Atom H of residue 15
P7634
P4245
P6562
LEU
Atom H of residue 31
Atom CB of residue 14
P1
P13418
P7610
P7581
P0
P6625
P5907
P4221
P4200
THR
Atom HG21 of residue 13
Atom CA of residue 28
Atom HG12 of residue 13
P7599
P7570
Atom HA of residue 13
P2646
Atom CB of residue 13
Atom O of residue 13
P7047
P4037
Atom CA of residue 13
P4475
P6087
P3083
P3601
P5885
P2644
ILE
Atom HG21 of residue 12
P65
Atom HG23 of residue 12
P4113
Atom NE2 of residue 2
Atom HA of residue 12
P3323
P6
Atom CB of residue 12
P7208
P4593
P138
P4312
Atom O of residue 12
P5481
P7048
P3530
P2635
P6079
LEU
P4110
P5713
P3578
P5202
Atom O of residue 3
P6672
JeffreysRestraint_P0
P2216
Atom HD3 of residue 11
P8344
P8725
P4731
Atom CB of residue 48
P8159
P8394
P1923
P128
Atom HG22 of residue 22
P7346
P5757
P6920
P6919
Atom CD of residue 11
P7108
P3011
P1873
Atom CG of residue 11
P12798
Atom O of residue 11
P4141
P6994
P3
P8467
Atom C of residue 11
Atom HB2 of residue 65
P6994
P4140
P6993
Atom CA of residue 11
P3915
P1
LYS
P1614
Atom HH22 of residue 54
Atom HA3 of residue 10
Atom HA2 of residue 10
P6928
Atom C of residue 10
P3459
P10174
P7799
P4870
P5186
P3480
Atom N of residue 10
P3807
P7685
Restraint 168
Atom HD12 of residue 30
Atom HG22 of residue 9
Atom HA of residue 17
Atom CB of residue 6
P3879
P28
P6106
P6105
Atom H of residue 9
P12967
P4146
P97
P6630
Atom OG1 of residue 9
Atom HE2 of residue 48
P5201
P3372
THR
P3210
P6203
P8491
Restraint 142
P7232
Atom HD23 of residue 8
P6072
ILE
Atom HE21 of residue 41
Atom N of residue 30
P6093
Atom CG1 of residue 13
Atom HA of residue 8
P5826
Atom HA of residue 27
P5844
Atom CB of residue 22
P7317
Atom ND2 of residue 25
Atom HD13 of residue 13
P8253
Atom CG of residue 8
P12991
P4170
P6654
P7699
P7178
P1
P3209
P13622
Atom O of residue 8
P4078
P3053
P63
P12832
P7530
LEU
P8257
P3406
P3851
P167
P4444
P1845
P2228
Atom HG21 of residue 7
P12781
Atom C of residue 7
P6935
P1908
P8474
P24
P4239
Atom N of residue 7
P5847
P3089
P4481
P6093
P8385
P103
Atom HZ2 of residue 6
P5781
P4682
Atom HE3 of residue 6
P3335
P1
P2667
P8251
Atom HE2 of residue 29
Atom HG3 of residue 6
P2508
P6890
P2173
P5128
Atom HG21 of residue 44
P3952
P5820
P0
P2217
P4279
P4267
Atom NZ of residue 6
P8184
P7744
P6129
P2255
P5714
P8364
P179
P5708
Atom CG of residue 6
Atom CB of residue 6
Atom HG3 of residue 19
P7152
P1925
P6189
P5983
P7783
P4219
P6145
Atom N of residue 51
P1417
P9139
Atom HG23 of residue 5
P3443
Atom HA of residue 44
Atom HD13 of residue 56
P2428
P181
P5907
P6406
P2426
P6359
P5909
P5
P6800
P3427
P5157
P9678
P1737
P8419
P4955
P3176
P2663
Atom HG12 of residue 5
Atom HA of residue 5
Model 363
P8145
P7446
P1342
P5824
P5270
Atom CG2 of residue 5
P3463
Atom HE2 of residue 4
P6965
P6458
P9190
P8347
P5196
P8189
P6153
P3062
P4485
P4482
P37
P5164
LEU
Atom CB of residue 73
Atom HB2 of residue 4
P2573
Atom H of residue 4
Atom CZ of residue 4
P6638
Atom HG3 of residue 40
P13066
Atom CE2 of residue 4
P3396
P5741
P3247
P5020
Atom HD13 of residue 44
P5008
P8313
P6156
P5612
P9150
Atom CD1 of residue 4
P4106
P3780
P8554
P6064
Atom O of residue 53
Atom C of residue 4
Atom CA of residue 4
P6062
Atom HD13 of residue 3
P8446
Atom O of residue 49
Atom HB2 of residue 33
P3357
P3858
Atom HB3 of residue 19
P13576
Atom HD12 of residue 3
P10151
P7776
P6508
P6082
P3064
Atom HG23 of residue 3
Atom HG13 of residue 3
Atom HG12 of residue 3
P8407
P7431
Atom CD1 of residue 3
P5856
P5658
P6852
P6
P6824
P12627
Atom CG2 of residue 3
Atom CA of residue 10
P6918
Atom C of residue 3
P5199
P4997
P3218
P2712
P1758
Atom N of residue 3
P7182
P7181
Atom HG3 of residue 2
P4747
P8182
P6480
P3484
P5974
P3
Atom HG2 of residue 2
P8248
Atom C of residue 20
P4067
P2966
P7793
P6414
Atom HB3 of residue 2
P2275
P5730
P5810
P7484
GaussianProcessInterpolation29
P6934
Atom C of residue 19
P7445
Atom N of residue 19
Atom HG13 of residue 23
Atom HA of residue 2
P1965
Atom HG of residue 65
P2
Atom H of residue 2
P5169
P4967
P3188
P3
P1721
MolecularDynamicsMover0
Atom CD of residue 2
Atom O of residue 47
ListSingletonContainer274
P12690
Atom CB of residue 2
P7261
P2124
P7464
P3888
P3309
ListSingletonContainer193
Atom HG12 of residue 23
P2125
P6019
GLN
Atom HE3 of residue 33
P7359
Atom O of residue 32
Atom HB3 of residue 28
P122
P5667
Atom CG of residue 33
Atom N of residue 2
P2281
P5482
P6817
P2931
Atom HE1 of residue 1
Atom HG2 of residue 1
P5857
P6814
P3246
P5815
P5818
Atom SD of residue 1
P3013
P3007
Atom HG2 of residue 41
Atom O of residue 40
P6985
P4131
P6984
Atom CB of residue 1
Atom CA of residue 1
P3
Chain A
P3267
Atom HG13 of residue 30
P3768
P7646
1G6J_MODEL1.pdb
Atom N of residue 1
Atom NE of residue 74
P6081
P3077
P4469
Atom H of residue 10
P8429
P6995
P3834
P2600
PairsRestraint 2
MovedSingletonContainer0
GridCPF
P7894
P8556
P0
bonded
SingletonScore 1
P7231
P4616
P6227
P6227
P3223
DihedralSingletonScore0
AngleSingletonScore0
P2626
UnaryFunction2
P4173
P7951
P3575
P8560
P112
P6640
P5922
P3121
ListSingletonContainer226
P1914
P6557
Atom CG of residue 31
P27
P8556
P6641
P5923
P8555
P8554
Atom HB2 of residue 46
Atom CD of residue 16
P8553
P4073
P7083
P7077
P4067
ListSingletonContainer351
P8552
P4198
P5867
P4155
P4153
ListSingletonContainer225
Atom CG2 of residue 44
P7083
P7941
P3565
P3113
Atom CA of residue 45
Atom O of residue 22
P7579
P96
P5905
P3104
P8541
P8519
P1322
P1900
P2
Atom N of residue 28
Atom N of residue 4
P7609
P8535
P7571
P3096
P8534
Atom HD3 of residue 74
P1826
P7061
P8528
P3543
P8530
P4135
Atom HB3 of residue 2
P7056
P3538
P8525
Atom H of residue 13
P4474
P6086
Atom HG1 of residue 14
P3082
P3600
P1812
P5884
P6087
ListSingletonContainer219
P8518
P2635
P86
Atom HG11 of residue 5
P6588
ListSingletonContainer7
P7041
P8510
ListSingletonContainer356
P8509
P1332
P3508
P8502
P4019
P7029
P8500
Atom HD2 of residue 42
Atom N of residue 74
P4094
P8498
P2623
Atom CA of residue 25
P4144
P11115
P5813
P17
P8496
P73
P8495
P2609
P8507
P5807
P8490
Atom CB of residue 28
Atom H of residue 24
P8484
P4065
P3034
Atom HH12 of residue 42
P12819
P7517
P6046
P1857
P12820
P7518
Atom H of residue 41
P7008
P8478
P3490
P8479
P4054
P3029
P7506
P155
P8469
P5824
P8464
Atom HE21 of residue 2
ILE
P3472
P7629
Atom OG1 of residue 7
P6989
P8462
P3016
P9
P4034
Atom HB2 of residue 39
Atom HA2 of residue 76
Restraint 100
P7838
P8451
P7837
P8450
P3454
P12813
P7511
Atom HD12 of residue 3
P3
P3951
P8442
Atom N of residue 41
P145
Atom CB of residue 25
P8441
P8229
P7789
P5248
P8802
P1589
P8439
P4014
P5993
Atom HB2 of residue 24
P8432
P4739
P8174
Atom NH2 of residue 74
Atom HG22 of residue 3
P6953
P8429
P8428
P6951
P8425
P6949
GLN
P8424
P5980
P138
P7453
Atom C of residue 24
Atom HD2 of residue 19
P8423
Atom HB3 of residue 19
P8421
P8420
P8348
P1
P7448
Atom HD11 of residue 23
P8416
Atom HG22 of residue 23
P90
P5771
P3929
Atom HD2 of residue 37
P8253
P3921
P8413
P4002
P4
P8411
Atom OE2 of residue 51
P7442
P8410
P1311
Atom CA of residue 37
P8408
P4277
P4265
Atom H of residue 46
Atom HB3 of residue 8
Atom CG of residue 18
P8401
P7429
P8398
P13624
P7426
Atom OD2 of residue 58
P1918
P5954
P8396
P5987
P3936
ListSingletonContainer367
P8383
P8389
P3396
Atom OE1 of residue 51
P6913
P8390
Atom HG21 of residue 9
P6911
P8388
Atom HG22 of residue 36
Atom NH2 of residue 42
P123
Atom CA of residue 23
P8385
Atom HD13 of residue 50
Atom C of residue 12
Atom HA of residue 21
Atom HG21 of residue 36
P3385
Atom HG3 of residue 34
P23
P3886
Atom HD12 of residue 50
P8381
P7443
P5146
Atom NH2 of residue 72
P3376
P8377
P6896
P8374
P8372
P61
P3375
P8371
Linear1DFunction 31
P4254
P8494
P4252
P2203
P3943
P5719
Atom CA of residue 4
P6887
P7396
P3365
P8366
P3876
P71
Atom OE1 of residue 34
Atom NE2 of residue 49
P5920
P4
GaussianProcessInterpolation28
P3868
P8363
P5918
P7739
P8359
P7737
P7734
P6355
P8356
P3361
P2501
P0
P29
P8358
P5921
Atom OG of residue 20
GLU
P14
P13597
P6877
P8357
Atom CA of residue 49
P8355
P6875
P111
P8354
P7728
P3356
P8353
Atom CG of residue 19
P8350
P4219
Atom O of residue 71
Atom HE2 of residue 29
Atom H of residue 33
ListSingletonContainer273
P8349
P7377
P7375
P5708
P3932
P5901
Atom HA of residue 56
Model 49
P3849
P5880
P8345
P6856
P5693
Atom HB2 of residue 32
P13580
P6859
P8339
P7352
LYS
Atom O of residue 30
Atom HD12 of residue 30
P7282
P8335
P8423
P7280
P5691
P6854
P8333
P7275
P5686
P6849
Atom HG3 of residue 33
P3828
P7669
Atom O of residue 63
P8110
P2614
P5113
P5633
Atom HG1 of residue 12
P6844
P8325
P6837
P12649
Atom HA of residue 31
P7701
ListSingletonContainer182
P5668
P8307
P8315
Atom N of residue 33
Atom C of residue 31
P6308
P6299
P8311
P6342
P7372
P2863
P3964
ListSingletonContainer275
P8310
Atom CG1 of residue 17
Atom CG1 of residue 3
P55
GLY
P8308
P8307
P5850
Atom CG of residue 18
P7361
P6817
P8300
P6815
P8296
Atom HA of residue 12
P5644
Atom HD23 of residue 43
P8291
P8287
P3281
P8285
P5560
P7580
P3884
P7599
P4609
P13521
Atom CG1 of residue 30
Atom HG2 of residue 27
P5630
P6797
P8278
P5628
P6795
P7657
P5664
Atom CG of residue 15
P8275
P3882
P7578
P3858
P7554
Restraint 77
P7557
P3861
Atom CD2 of residue 67
P8273
P5623
P1366
P8272
P1365
P7216
LEU
P8271
P6788
P8270
Covariance1DFunction 65
P8054
P5577
Atom HD11 of residue 3
P3842
P8269
P7212
P8267
P3249
P6242
P6765
Atom CG of residue 29
P8265
P8259
P8256
ILE
Atom HG of residue 8
P5803
Model 278
P8254
P4576
Atom HG22 of residue 66
P5526
P3733
Atom HG of residue 43
P5524
P4
P7194
Atom C of residue 76
P8251
P8216
P8250
P5834
P7307
P5547
P8243
P4521
P2589
P4512
P6333
P122
P6613
P2884
P8239
Atom H of residue 47
Atom CE of residue 63
P4530
Atom HA2 of residue 47
P2700
P5965
P4334
P7721
P3039
P1491
GLU
Atom CE of residue 33
P5964
P1437
P5963
P3377
P8229
P4320
P7707
Atom HA of residue 64
P3025
P5962
P8228
P5961
P8227
P2119
P4318
P7705
P3023
P3374
P8226
P5958
P8224
P5956
P8222
P5955
P1563
P8221
P5060
P8220
Atom CB of residue 19
P2965
P2959
P6491
P8218
P5059
P8217
P4699
P6741
P1476
P1557
P497
P8211
P8208
P1548
P3285
P8203
P6869
P8202
P11744
P6442
P8201
P1408
P5454
P6554
P2977
ListSingletonContainer479
P5929
P5928
P5452
P2975
P6552
P2
P5927
P8193
P5448
P2971
P6548
Restraint 112
GLN
P5923
P6429
P3125
P1716
P2497
P5921
P7679
P4669
P7153
P1448
P5918
GaussianProcessInterpolation62
P5917
P5916
P5455
P2978
P6555
Atom CG of residue 42
P5915
P2425
P5914
P11715
P482
P2491
P5010
P5465
P8180
P5913
P5912
P8178
P8203
P5910
P8176
P5908
P8174
P194
P6549
P2972
P5449
P6540
P2963
P5440
Atom HG1 of residue 12
ListSingletonContainer568
P6531
P2954
P5928
Atom H of residue 76
P5906
P4993
P1517
P3325
P8172
P5905
P8171
Atom CG1 of residue 30
P5904
P8170
P5902
P8168
P5901
P6
P5900
P8166
P5899
P8165
P5898
P5005
P1919
P8163
P5003
P8161
P4999
P4978
P1503
P8157
P4998
P8156
P8155
P4639
P4793
P2087
P7645
P1420
P4996
P3309
P8154
P3306
P8151
P2392
P2953
P6530
P6509
P2932
Atom HA of residue 29
P5906
Atom CB of residue 28
P4992
P8150
P8556
P4986
P8144
P3313
P5873
P5864
P1674
Atom CA of residue 28
P2391
P4985
P4984
P4963
P1489
P8142
Atom C of residue 28
P2926
P186
P4983
P8141
P8167
ALA
P8140
P8166
P1670
P6806
P4980
P11675
P8138
P2939
P6516
P2918
P5892
Atom HG3 of residue 27
P8136
P4977
P8135
P4975
P1891
P8133
P3065
P6367
P6370
P1660
P4970
P8540
P4969
P2443
P8145
P5856
P4948
P1475
P8127
P2911
P29
P4968
P460
P8126
P4609
P8045
P1780
P7646
P2041
P4763
P2059
P7615
P1392
P4965
P8123
P4964
P3280
P8122
P5848
P9397
P8534
P8121
P8548
P4962
P8120
P4960
P1877
P8118
P1894
P1464
P4957
P8115
P2432
P454
P8114
P4954
P1461
P8112
P8524
P4953
P8111
P4952
P8110
P1766
P7604
P7632
P2027
P7600
P1378
P8523
P4951
P2427
P8109
P4950
P8108
ListSingletonContainer425
Multivariate Normal distribution 29
P1863
P8103
P3072
P5865
P6374
P3261
P8101
P3071
P3068
P2447
P3294
P6373
P3279
P1880
P1450
P8100
P1910
P1480
P3070
P5863
P465
P6372
P8099
P5862
P464
P6371
P1632
P1662
P5861
P1
P1447
P8097
P3067
P6369
P2
P8093
P446
P8096
P4971
P8129
P3066
P6368
P2414
P8095
P8094
P3062
P6364
P8506
P8091
P3060
P6362
Atom CD1 of residue 43
P1746
Model 84
P2007
P4648
P2406
P8086
P2739
P6691
P2352
P1559
P8026
P3191
P1557
P8024
P7
P1560
P1554
P8021
P8020
P8019
P8017
P8011
P8009
P1922
P1995
P4847
P8007
P5727
P1546
P1360
P1540
P8006
Atom CG of residue 19
P8005
P3173
P8004
P1357
P8003
P8002
P8000
P7997
P4564
P2258
P8404
P7996
P8013
P412
P5728
P7995
P5274
P8300
P2789
Atom HB3 of residue 20
P5727
Atom CB of residue 18
P7993
P1532
P1346
P1526
P7991
P1583
P4552
P3
P3160
P7990
P11525
P7988
P7987
Atom CB of residue 19
P5719
P1374
P7986
P3509
Atom OD2 of residue 52
P4546
P7984
P6511
P3506
P4543
P7981
GaussianProcessInterpolation17
P7978
P6935
P6492
P7965
P1894
P2307
P7977
P1349
P4815
P6215
P6218
P1518
P8383
Atom N of residue 17
P1512
P7976
P7975
P7974
P7973
P6211
P5704
P2758
P7970
P1523
P2769
P8278
P2757
Atom NE2 of residue 15
P7969
P2756
P7968
P2754
P7963
P7962
P3926
Atom O of residue 36
P1879
P3109
P11511
P2677
P6629
P2662
P389
P127
P4533
P2749
P7961
P6
P1503
P8368
P2760
P8270
P2748
Atom O of residue 15
P1497
P7960
P5721
Atom HG3 of residue 31
P4
P3
ListSingletonContainer401
P4531
P2747
P7959
P2744
P7956
P4522
P2739
P7951
P3098
P4518
P124
P4521
P3124
P7950
P3097
P4520
P7949
P3096
Atom H of residue 17
P4519
Atom CA of residue 18
P7948
P3911
P1865
P3094
P4517
P7946
P3125
P1489
P3093
P2733
P2732
P4515
P7944
Atom C of residue 8
P2728
P3088
P4511
P1495
P2727
P4510
P7939
P3086
P4509
P2726
P7938
P3082
P3070
Atom HA of residue 4
P4505
P2722
P7934
P2721
P7933
P3080
P4503
Atom CB of residue 8
Atom O of residue 17
P2720
P7932
Atom HG3 of residue 62
P3896
P1851
P2719
P3079
P4502
P7931
P2718
P6604
P2264
P7929
P4490
Atom HG1 of residue 7
P4695
P5658
P3101
P7925
P4694
P7924
P8193
P5200
P7923
P4692
P7922
P1475
P2190
P4690
P1520
P8051
P6951
P6233
P4689
Atom O of residue 26
P7919
P4688
P7918
P4685
P2251
Atom N of residue 12
P7915
P2182
P4683
P7913
P4682
P7912
P4681
P1470
P8186
P5196
Atom CA of residue 32
ListSingletonContainer59
P7911
P4680
P8185
P5195
P6073
P35
P7910
P4679
P6069
P2145
P7909
Atom HZ1 of residue 6
P4677
P3085
P7907
P4676
P7906
P4674
P7904
P4672
P7902
P4671
P2238
P7901
P4670
P364
P7900
P4668
P7898
P4667
P7897
P8552
P4666
P7896
P4664
P3070
P1
P3072
P7893
P4662
P7892
P4661
P7891
P44
Atom O of residue 6
P4659
P7889
P4657
P7887
P4656
P7886
P4652
P73
P7882
P7878
P4646
P9166
P2812
P7873
P7871
P7869
Atom N of residue 50
P7867
P4705
P8137
P5147
P5638
P6025
P7865
P2201
P8139
Model 171
P7861
P7813
Model 164
P7858
P7857
P2131
P4
P7856
P7854
P7852
P2191
P341
P7848
P2549
P7846
Atom N of residue 46
ALA
P2683
P164
Atom HE2 of residue 45
P7872
P2548
P7845
P5618
P6005
P7842
Atom CE2 of residue 45
P9
P11375
P7841
P1535
P7840
P7839
P7837
Atom O of residue 13
P7835
P2631
Atom HG of residue 43
P7834
P6500
Atom CG of residue 45
P7833
Atom CG of residue 29
P6862
P7354
P4739
P6350
P6144
P5608
P5995
ListSingletonContainer42
P9095
ASN
P8262
P2170
P7826
P11361
P7824
P7823
P7822
P1371
P7820
P7817
P7816
P7814
P7809
P7805
P7804
P7803
P7802
P7801
P2988
P7800
P7799
P7796
P5
P1493
P7795
P7790
P7789
P5519
P9056
P0
P7788
P2
P7787
P7786
Atom C of residue 1
P7784
P11317
P313
P7782
ClosePairContainer
Atom HE1 of residue 1
P7781
P1479
P7780
P7779
P7776
P7774
P7799
P2919
P4342
bonded
P7771
P7770
P7769
P7765
P1464
P7764
P2522
P5048
Atom CG of residue 2
P5926
ListSingletonContainer30
P7763
P7762
LEU
P4329
P4531
P7761
P7760
P7759
P7758
P2905
P4328
P2893
GLU
P7754
P302
P7757
P7756
P2909
P4332
P7755
P1
P7752
P7751
P7750
Atom N of residue 43
P7749
Model 386
P7748
P2936
P7746
P2506
P7745
Atom CE2 of residue 20
P7744
P4514
P0
P2503
P2682
P296
P7742
P7741
P4301
P5472
Atom CD2 of residue 4
P7739
P4298
P7736
P4296
P7734
P4288
P0
P4294
P1
P11267
P7730
P2659
P7720
P7719
P2657
P7718
P2655
P7716
P7713
P3262
P2473
P11246
P7712
P2650
P7711
P2649
P7707
P282
P7710
P5424
P7709
P4552
P2647
P7708
P7705
P7704
P1406
P7702
P2640
P7701
P2639
P2905
P2016
P2636
P1765
P7700
P11236
P7699
P11235
P7698
P2635
P7696
P6363
P11230
P276
P2634
P11232
P7695
Atom N of residue 53
P2891
P2002
P7694
P2632
P7693
P2631
P7692
P2629
P7690
P2628
P7689
P5843
Atom NE1 of residue 111
P1392
P2626
Atom HB2 of residue 4
P7687
Atom N of residue 54
P2624
P2621
P1751
P7685
GeneralizedGuinierPorodFunction 48
P2623
Atom C of residue 74
P7684
P2622
P7683
Atom CG of residue 64
P2618
P2877
Atom NH1 of residue 73
P7679
P2617
P7678
P2615
P7688
P8562
P8550
P7676
P2614
P7675
P7673
P7671
P7669
P7668
P4507
ASN
P5397
P7666
Atom HE22 of residue 49
P1
P7651
P7665
P2863
P7664
P7649
P12959
P4138
P7123
Atom HB3 of residue 4
P7663
P262
P7662
P7661
P7660
P1725
P7657
Atom CA of residue 118
P4939
P7656
P4938
P2582
P6323
P259
P265
P8542
P7655
P11186
P3
P257
P8530
P7654
Atom HG21 of residue 17
P4936
P7653
P4935
P4934
P7651
P4933
Restraint 0
Atom H of residue 76
P7587
Model 141
P7650
Atom CA of residue 76
P4932
P8525
P7649
P4931
P2848
P7648
Atom HG21 of residue 3
P7647
P4920
P4929
P7646
P4928
P7645
P7643
Atom O of residue 17
P4925
P7642
P8517
P7640
P4921
P7638
P7637
P4917
P4915
Atom CA of residue 74
P7632
Atom C of residue 10
P4914
P2404
P7631
P4912
P7629
P4909
Atom NH2 of residue 74
P5357
P7626
P4908
P7625
P8914
P1694
P7624
P5896
P4906
P5354
P2395
P7623
P5895
P244
P4905
P7619
P245
P7622
P11175
Atom CD of residue 74
P4902
P8504
P4900
P7617
P7615
P6141
Atom HD11 of residue 15
P4897
P7614
Atom C of residue 46
P4896
P7613
P7612
P4894
P7611
P7620
P8498
P7608
P6275
P7607
P7606
P7604
P2806
P7603
P7601
P7600
P4877
P5427
Atom CZ of residue 45
P7598
P2010
P1891
P8488
P7597
P4217
P7592
P8536
P5322
P7591
P7590
P2792
P7588
P231
P7586
Atom CB of residue 12
P7584
P7583
P5854
Atom HE of residue 72
P3
P7580
P1652
P7579
P7578
P7576
P7575
P2350
P2778
P7573
P8840
P1
P7572
P7570
P7566
P8391
P3593
P5877
P6596
P3
ScoreState 22
Atom CE of residue 1
P7565
P7559
P2764
P7558
P2784
Atom HD22 of residue 71
P7837
P7555
P6081
Atom N of residue 12
P7554
P4835
P5939
P217
P7553
Atom H of residue 1
P7568
Atom CD2 of residue 71
P7547
Atom CG of residue 50
P5260
P7545
P5782
P4825
P2750
Atom CA of residue 70
P7543
P7542
P2321
P5275
P211
P7540
P7820
Atom HG2 of residue 51
Atom HB of residue 9
Atom CG of residue 3
P2318
P7538
P7535
P8813
P4818
P7533
Atom NH1 of residue 21
P4
P8812
P4817
P7532
Atom OE1 of residue 35
P4843
P7839
P5802
P6054
Atom O of residue 24
P7527
P7524
Atom CG1 of residue 70
P7805
P206
P8413
P7531
Atom HD23 of residue 8
P7522
THR
P8419
P7803
P0
P7521
P4147
P6037
P7518
P8788
P4794
P7508
P4064
P1
P5889
P1971
P7461
P178
P7462
P4309
Atom HG11 of residue 70
P8412
Atom CA of residue 20
Atom CG1 of residue 13
P4019
P8158
P7459
P4017
P8157
P7458
P3995
P7439
P4
P8417
P4016
P4014
P1966
P8175
Atom HG22 of residue 66
P4011
P2242
Atom CA of residue 11
P8151
P7452
Atom CG2 of residue 66
P7736
P1530
P10995
P2670
Atom HG11 of residue 5
P2664
P8150
P7451
P7435
P4008
P4007
Atom HG3 of residue 64
P8147
P7448
P2229
ARG
P4006
P8146
P7447
P4005
P4004
Atom HG3 of residue 18
P5825
P1745
P2230
P4000
P8161
Atom N of residue 66
P7441
P3978
P8400
P3999
P1952
P169
P7440
P3976
P3997
P7438
P7434
P3992
P7433
Atom CB of residue 18
P5680
P8332
P5674
P7709
P8382
P3981
Atom HH21 of residue 72
P2210
P3985
P7426
P7424
P3982
P7422
P3979
P7763
P3977
P7418
P7416
P5727
P8127
P8364
P3974
P7415
P7413
P5147
P3971
P1496
P1717
Atom HA of residue 72
P3970
P7411
P5143
P3967
P7408
P5640
P5142
P3966
P155
P7407
P5933
P7678
P5236
Atom CB of residue 72
P2194
P8100
P7401
P126
P5926
Atom HA of residue 8
P8098
Atom OG1 of residue 66
P7399
P6889
P13589
Atom HA of residue 11
P5924
Atom O of residue 42
P1481
P8095
P7396
P4677
P7671
P8348
P7378
Atom HZ1 of residue 29
Atom CE of residue 63
P7673
P8347
P8457
P2113
P2607
P8089
P7390
P7389
P7664
P5222
Atom HB3 of residue 71
P6056
P146
P7388
P2181
P7387
P5608
P1688
P5891
P8336
P8439
P2095
P10921
P8272
P140
P7372
P4216
P7652
P8327
P8270
P7370
P7369
P7368
P7367
P8659
P4210
P7646
Atom CE2 of residue 4
P7364
Model 132
P7361
P7360
P7358
P7357
P6386
GaussianProcessInterpolationRestraint 42
Atom NZ of residue 29
Atom HD22 of residue 69
P1439
P1
P5084
P7349
P5083
P7348
P5080
P5079
P5078
P2563
P7343
Atom NZ of residue 63
P4624
P8039
P7340
P5866
Atom CB of residue 31
P6384
P0
P7465
P3889
Atom HD2 of residue 68
P6006
P7339
P8314
P6005
P7338
P6002
P7335
P1422
P7333
P5828
Atom O of residue 16
P3798
P5998
P7331
P5997
P7330
Atom CB of residue 60
P2516
Restraint 41
P5996
P7329
P3802
P7680
Atom HG22 of residue 30
P2548
P7327
P7312
Atom HD22 of residue 43
P3875
P8405
P5992
Atom CD of residue 16
P3874
P5991
P7324
P8309
P2106
P6846
P2099
Atom CA of residue 28
TYR
P7322
P5988
P7321
P3870
P1408
GLY
P1806
P7318
P8290
P5983
P7316
P7336
Atom HA of residue 59
Atom CG of residue 23
P5982
P7315
P5980
P7313
P5841
P7656
P7644
P8276
P7310
P7309
P8560
Atom H of residue 61
P7306
Atom OD1 of residue 32
P7302
P107
P7305
P13514
P3779
Atom CD of residue 42
P7304
Atom CD1 of residue 15
Atom OD2 of residue 58
P4580
P1394
P7303
P1615
P7301
P5698
Model 352
Atom N of residue 67
P7299
Atom HA of residue 5
P7298
P6818
P1364
P8548
P7292
P3840
P7290
P3869
P7565
P7544
P3848
P2454
Model 122
P7289
P5670
P1600
Atom N of residue 58
P2477
Atom OG of residue 86
P5953
P7286
P7285
Atom HB3 of residue 57
P5951
P10817
P2
P7284
P5950
P7283
P8366
P5949
P7282
P5945
P7278
P5943
P7276
P5942
P7275
P5941
P97
P7274
P5940
P7273
Atom HD23 of residue 56
P5939
P7272
P7611
LEU
Atom CB of residue 85
P4566
P1361
Atom HD1 of residue 59
P7270
P0
P5000
Atom CG of residue 84
P5936
P2451
P7269
Atom CA of residue 10
P5934
P7267
P5498
P5495
P4097
P5496
P7264
Model 351
P5492
P4094
P7263
Atom HD23 of residue 15
P7260
Atom HB2 of residue 59
P7259
Atom O of residue 64
P7258
GLU
P7255
P2513
P1345
P7253
P3216
P6209
Atom C of residue 83
P1343
P7251
P2475
P7249
P3898
P2797
P5800
P7273
P7245
P8359
P1770
P2514
Atom C of residue 76
P4081
P5479
P5633
P1555
Atom N of residue 23
P5462
P7227
Atom HD13 of residue 56
P71
P2497
Atom HG3 of residue 24
Atom HB3 of residue 21
P5745
P2095
P7223
P7221
Atom O of residue 28
P8504
P6776
P2039
P198
P7247
P2446
P7218
P4501
P1710
Atom CB of residue 73
P7217
P2500
Atom CA of residue 23
P7216
P7215
P1709
P3792
P7488
P7467
P3771
P2477
P7210
P63
P7213
Atom SD of residue 1
Atom HD2 of residue 4
P0
P7212
P7211
Model 346
P4046
P5580
P2479
P5595
Atom CD1 of residue 15
P7209
P7208
P4043
P7206
Atom CA of residue 56
P7205
P2438
Atom CG of residue 56
Atom HG13 of residue 13
P2432
P7203
Atom HG21 of residue 55
P7200
Atom OE1 of residue 51
Atom HB of residue 55
P7198
P7197
P7193
P56
P7196
P2067
P7195
P7194
P7192
Covariance1DFunction 23
P7191
P4025
P2418
P7188
P4917
P5850
P7183
P2381
P7180
P7178
P7175
P7
P1968
Atom CA of residue 19
P7173
P2403
P7172
Atom HB2 of residue 21
P5483
P2048
P7169
P4452
P7166
ListSingletonContainer117
P7883
P7165
P7881
P7163
P2436
P2409
P7877
P2388
P7156
P7154
Atom HD3 of residue 11
Atom HG23 of residue 17
P2058
P7153
P7151
P7149
P7148
P7147
P7146
P2420
P7144
P3971
P7848
Atom HB2 of residue 52
P7143
P2434
Atom C of residue 17
ListSingletonContainer113
P23
Atom CG1 of residue 17
P7142
Atom HG11 of residue 5
P2019
P2374
P8257
P1670
Atom HG3 of residue 49
P77
P10683
P2339
P7136
Atom N of residue 17
SingletonConstraint 0
Atom HG3 of residue 16
P10672
P7135
Atom C of residue 52
Atom H of residue 48
P7134
P7849
P7131
P7405
Restraint 70
P7377
P3681
Atom N of residue 58
P38
P7847
P7129
Atom HB3 of residue 51
P2380
P7846
P7128
P2322
P7127
P7843
P2359
P7125
P10713
P7874
P5823
P8242
P1655
Atom C of residue 51
P7835
P7117
P4848
P7116
P3688
P7384
P3667
Atom CB of residue 57
P7833
P7115
Atom N of residue 51
P7832
P7114
P17
P3087
P2366
P7831
P7830
P7112
P2024
P7829
P7111
P5663
P3112
P7136
Atom HD22 of residue 56
P7826
P7105
P23
P7108
P7230
P2237
P1990
P3686
P7382
MET
P7822
P7821
P7103
P3676
Model 328
P7098
P7814
P4811
P7096
P1631
P7812
P8371
P1596
P7093
Model 0
P4824
P7088
P7082
P7793
P3
P7080
P10616
P2316
P7079
P2350
P5347
P7794
P4809
P7077
P1324
P7
P7095
P7068
P7346
P1556
P4891
Atom H of residue 54
P2302
P7064
P4889
GaussianProcessInterpolation43
Atom NH1 of residue 54
P7340
P7062
P5572
P6537
Covariance1DFunction 59
Atom C of residue 1
PairRestraint 2
P7055
P7054
P2309
P7770
P7052
P2330
P7769
P7051
P4877
Atom HA3 of residue 53
Atom CA of residue 48
P7767
P2288
Covariance1DFunction 18
P7049
Atom CD1 of residue 44
P2259
P7766
P7048
P7766
P7765
P7047
P7761
Model 127
P7043
P7042
P4
P2241
P7038
P4863
Atom OD1 of residue 52
Atom HD21 of residue 43
P7754
P7036
P7753
P7035
P2274
P7034
P7750
P7032
P2449
P7749
P7031
P4799
Atom CD1 of residue 62
P4351
P1570
P6508
P3055
P7
P8350
P3477
P8273
Atom CG2 of residue 7
P2446
P7028
P7744
P7026
P4746
P8193
Multivariate Normal distribution 10
P7743
P7025
P7741
P7023
P7022
Model 111
P2225
P7020
P6501
P5331
P3553
P7004
P2155
P6527
P1905
P1527
P1523
P7015
P2050
P2431
Atom CE1 of residue 45
P7014
P7013
P1
P7011
P2430
P7010
P7008
P7731
P1509
P5242
Atom CD2 of residue 56
P5668
P7003
P7001
P1509
P7009
Atom HD12 of residue 44
Atom HA of residue 44
P7000
P7728
P7727
P6998
P5226
P7726
P6997
P7751
P7033
P5698
P4279
P2174
P6927
Atom H of residue 11
P5162
P5166
P3489
P6931
OptimizerState 5
P3486
P6925
OptimizerState 4
P6928
P6947
Atom CG of residue 38
P5593
P5160
P3483
Atom CB of residue 38
P5159
P3482
P6924
P1470
P1428
P5156
P3479
P6921
P1286
P5155
P3478
P1885
ListSingletonContainer549
P1848
P6838
P3746
P3472
P6914
P3471
P6913
Atom CB of residue 45
P3465
P3464
P6906
P6905
P1311
P3461
P6903
P3460
P6902
P6901
P3457
P6899
P2190
P3456
P6898
Atom HG21 of residue 36
P6897
P3453
P6895
Atom HD12 of residue 44
P3452
P6894
Atom HA of residue 38
P1442
P3451
P7172
P3721
P148
P5478
P2321
Atom O of residue 73
GaussianProcessInterpolationRestraint 7
LEU
JeffreysRestraint_P0
P5582
ModelScoringFunction21
P1427
P6874
P6857
P6808
P6691
P6265
P2163
P6781
P5001
P3284
P449
P6728
P7445
P4461
P4443
P6727
P0
P2274
P5227
P5742
P3243
P90
P7442
P4458
P4440
P6724
P7441
P4457
P4439
P6723
P6996
P7438
Model 102
P4454
P4436
P6720
P5017
P6211
ScoreState 34
P10263
Atom N of residue 30
P7437
P4453
P8435
P6705
P2275
Atom HB3 of residue 57
P2164
Atom HB3 of residue 63
P4445
P1516
P4433
P6717
P7433
P4449
P4431
P6715
Atom O of residue 35
P7432
P4448
P1502
P4430
P6714
Atom CA of residue 40
GLY
P4427
P6711
P3380
P2263
P64
P1983
P7427
P4425
P6709
Atom C of residue 63
P7424
P4422
P6706
P2145
P7402
P7866
P7411
P5360
P7399
P7863
P4409
P1
P6693
P7410
P5359
Atom HB3 of residue 28
P7398
P7862
P4408
P6692
P65
P8454
MolecularDynamicsMover1
P7408
P6708
P4424
P5357
P7396
P7860
P4406
P6690
P4912
P3513
P6707
P440
P4423
P7395
P7859
P4405
P6689
Atom HD3 of residue 33
P6704
P4420
P5353
P7392
P7856
P6702
P4418
P5351
Atom O of residue 28
P10242
Atom CG of residue 25
P6962
Atom C of residue 2
P1874
Multivariate Normal distribution 3
P1682
P2119
P6
P6700
P4416
Atom CA of residue 25
P7861
P7397
P1950
P6697
P4413
P5346
P4395
P6679
Atom HB3 of residue 24
P6695
P4411
P4390
P6674
P426
P7383
P7847
P4393
P6677
P7858
P7394
P6694
P4410
P5343
Atom HE2 of residue 27
P7382
P7846
P4392
P6676
P9704
P5255
Atom NE2 of residue 62
Atom HG22 of residue 61
Atom C of residue 74
Atom NZ of residue 27
P422
P6667
P6128
P2685
P2679
P6
P6666
P7843
P7379
P4377
P6661
P3901
P2011
P3483
P6673
P4389
P4371
P6655
P10197
P1451
P7822
P6672
P4388
P1446
P4370
P6654
P4128
P7112
P6394
Model 82
P1460
P6669
P4385
Atom CA of residue 2
P4367
P6651
P1654
P4384
P8258
Atom HG3 of residue 29
P2
P1
P2023
P4383
P4365
P6649
P3476
P2031
Atom CB of residue 60
P10191
P7816
P4382
P4364
P6648
P6665
P4381
P4363
P6647
Atom O of residue 73
P6664
P4380
P4362
P6646
P2658
P2207
P416
Atom CB of residue 26
P1784
P4360
P6644
P8301
P6668
P1
P6659
P4375
P2669
Atom HG3 of residue 49
Atom HG2 of residue 42
P6658
P4374
P4352
P6636
P3458
P4346
P6630
P10170
P7795
P6645
P4361
P59
P3453
P10168
P7793
P6643
P4359
Atom C of residue 76
P1615
P8394
P11896
Restraint 125
Atom C of residue 62
P2233
P6649
Atom NE of residue 42
P5271
P6604
P0
P3871
GaussianProcessInterpolation0
P6622
P5285
Atom CA of residue 20
P6618
P7864
P0
P6616
P5282
Atom C of residue 24
P6615
P3
UnaryFunction32
P5281
P6614
P1417
P5278
P5276
P1867
P6609
P3187
P6884
P4455
P4841
Atom C of residue 72
Atom CB of residue 58
P1403
P6608
P7316
P7304
P7768
P4834
P6600
P1864
P1401
P7300
P7764
P5263
P2735
P1386
P6687
P7311
P7299
P7763
Atom NZ of residue 63
P2114
P7310
P7298
P7762
Atom O of residue 57
P10137
P1395
P2108
P10134
Atom CG1 of residue 23
P7
P3108
ListSingletonContainer487
P7767
P7303
Atom HA of residue 57
Atom CB of residue 19
P1392
P3
Atom C of residue 23
P2105
P7752
P11859
Atom HB3 of residue 39
P6604
P1525
P6243
P4813
P3405
P3483
P4901
P3123
P3404
P6574
P4900
P3122
P1721
P1843
Atom HG1 of residue 22
Atom HD22 of residue 69
Atom C of residue 39
P4889
P5095
P3403
P6573
P3119
P3400
P1712
Atom CA of residue 56
P6570
P3478
P1527
P3118
P2094
P3477
P4895
P3117
P3398
P6568
P3116
P3397
ListSingletonContainer488
P3114
P3113
P5606
P2155
P3111
P5238
P3392
P8231
P3383
P5229
P6562
P8357
P3110
P3106
Atom HH22 of residue 54
P8226
P3378
P5224
Atom OE2 of residue 16
P6557
P3104
P2525
P3440
P53
P8224
P6555
P4
ListSingletonContainer486
P3102
P8222
P3101
P6828
Atom N of residue 71
P2083
P8221
P3373
P5219
P6552
P6858
P3098
P2059
P7241
P4764
P5225
P3379
P3370
P5216
P6549
P3097
P6548
Atom CA of residue 38
P3103
P1513
P0
P6951
P2572
P3
P5221
P3375
P6852
P4820
Linear1DFunction 13
Atom CG of residue 56
P4815
P3092
P2069
P6543
P6851
P4327
P1718
P10108
P382
P4814
P3091
P3372
P6542
P3365
P6535
Atom CG of residue 16
P8202
P4754
P4
Atom HG22 of residue 13
ListSingletonContainer484
P3090
P6541
P1508
P6036
P6062
Atom HB3 of residue 4
P1499
P3088
Atom HD1 of residue 68
P2576
Atom HB3 of residue 37
P3087
P4100
P1796
P7230
P4249
P7682
P5214
P3368
P6538
P57
P3086
Atom HB2 of residue 54
P1684
P6537
P6
P3072
Atom N of residue 55
P5134
Restraint 123
P2129
P3083
Atom CB of residue 36
P3419
P3364
P6534
Atom C of residue 37
P2527
P6958
P2611
ModelScoringFunction9
P3081
P3080
P6719
P6518
P198
P2096
P4293
P7680
P2998
P3688
P1431
Atom CG of residue 62
P2995
P4289
P7676
P1449
P4745
Atom H of residue 6
P8185
Atom OG1 of residue 9
P4288
P7675
P2993
P8184
P1762
P352
P4282
P7669
P2987
P2986
Chain A
P6704
P4661
P7145
P7669
P6501
P5510
P5055
P8213
P6461
P2929
P6702
P4659
P4161
P7143
P8099
Atom CB of residue 48
P8093
P7667
P6499
P4816
P3
P6712
P1576
P6700
P4657
P4159
P7141
P8091
P4741
P1823
P7665
P1825
P6497
ListSingletonContainer62
P2962
P8089
P7663
P6495
P2975
P6696
P6490
P2972
P2971
P1432
P1
P2799
P2068
P2965
Atom O of residue 31
P5926
P486
P3347
P6432
P5924
P1534
P6430
P2957
P1418
P2
Atom HD22 of residue 71
P2951
Atom HE3 of residue 6
P2950
Atom CD2 of residue 71
P7609
P2071
Atom CB of residue 73
P2938
P2945
P6522
P2924
P4698
P8042
P3205
P2923
P4709
Atom H of residue 28
P4697
Atom CD2 of residue 69
P8041
P7615
P3204
P2942
P6519
P2921
P8106
P8522
P3254
P5842
P7613
P1530
P3202
P2919
P4693
P8037
P7611
P3200
P3641
P1722
Atom CG of residue 69
P6442
P4684
P7605
Atom HG2 of residue 72
P1908
P3639
P6440
P2373
P8536
P8029
P3192
P1905
P2908
P8099
P7631
P1896
P3180
P4150
P6422
P3225
P5813
P3241
P8079
Atom C of residue 26
P5839
P4
P7588
P3
P7132
P4148
P1684
P1742
P6420
P6418
P8229
P7129
P4145
P6417
P8123
P6414
Atom HH12 of residue 72
P8122
P7570
Atom CD1 of residue 69
P8231
P4147
P7131
P8225
P7125
P4141
P6413
Atom HB3 of residue 6
P8120
P4178
Atom H of residue 71
P8223
P7123
P4139
Atom H of residue 12
P6411
Atom HB3 of residue 69
P8227
P4143
P7127
P8221
P7121
P4137
P6409
P8116
P1879
P7119
P4135
P6407
P7115
P4131
P6403
Atom CG of residue 6
P0
P1
P4136
P7120
P6402
P7602
P77
P4133
P7117
P6399
P432
P7109
P4125
P6397
Atom HG11 of residue 70
Atom CD of residue 72
Atom CE2 of residue 59
P8096
P1476
P7105
P6387
P8094
P7103
P6385
P7547
Atom HA of residue 56
P7101
P6383
P8091
Atom HG12 of residue 70
P7530
Atom O of residue 69
P1841
P294
P6382
P8090
P7546
P0
Atom C of residue 69
P2894
P4025
P8192
P7092
P2891
P4022
P8189
P7089
Atom NH1 of residue 72
Atom CD2 of residue 69
P2889
P4530
P8187
P7087
P4566
P2022
Atom O of residue 71
P2888
LEU
P8222
P4138
P7122
P7116
P317
P4132
P6404
P1664
P6401
P310
P4019
Atom N of residue 56
P3120
P1700
P1961
P1347
P2887
P8076
P1986
P4018
P8185
P7085
P2886
P8075
P4017
P8184
P7084
P8074
P4006
Atom HA of residue 55
P4015
P8182
P7082
P6361
P4064
P293
P6318
Atom CA of residue 69
P4014
P1656
P8181
P7081
P2
P6315
P8042
P1980
P2843
P7581
P1451
P7523
P6360
P1593
P2832
Atom H of residue 9
P7524
P3113
P2828
P6274
P6265
P419
P7520
P3109
P2974
P1397
P5320
P1821
P1391
P5765
P1573
P2972
P5318
P1583
P5769
P4597
P3544
P7515
P3104
P2969
P5315
P6192
P5766
P4594
P7512
P1813
P2965
P2354
P5314
P5793
Atom C of residue 54
P6191
P5765
P2831
P8339
P2819
P7511
P3100
P2962
P2351
P5311
P6188
P5762
Atom HA of residue 4
Covariance1DFunction 76
P4590
P3538
P6543
P3537
P1430
P7508
P1432
P2963
P1576
P1308
P5309
P2814
P4588
P7506
P3095
P2811
P8324
P4585
P7503
P3092
P2956
P9296
P5302
P4581
P3528
P7527
P1929
P7499
P0
Atom CG of residue 54
P3088
P3067
P1931
P2955
P5301
P8016
P8422
P2806
P2954
P5300
Atom CD of residue 34
P4579
P3086
Atom CG of residue 34
Atom O of residue 98
P4578
P3085
P2950
P5296
P2801
P7040
P3523
P1418
P2949
P5295
P2800
P4574
P1948
P2948
P5294
P2799
P4573
Atom HG21 of residue 66
P1953
P7990
P1918
P2946
P408
P5292
P2797
P1541
P1554
P1
P1355
P1553
P3078
Atom HG2 of residue 38
P7039
P6258
Model 74
P6317
P2941
P5287
P2940
P1989
P5286
P4742
P5255
P2
P5706
P7
P1536
P8400
P1539
P5
Atom HB3 of residue 52
P3072
P2939
P5285
P2790
Atom HD2 of residue 33
P3071
P7032
P2840
P6993
P8022
P1376
P2938
P5284
P4011
P1897
P8399
P11485
Model 179
P3070
P7031
P1372
P2936
P2933
P2325
P1548
P5729
P5273
P1351
P5282
P141
P1551
P8296
P2787
P3068
P7029
P3142
THR
P2934
P5280
ListSingletonContainer408
P2785
P3507
P6512
P1934
P3066
P7027
P5279
P2784
P3505
P3065
P7026
P6308
P5275
P2780
P1531
P9261
P4811
P1345
P2778
P2230
P3152
P0
P5696
P8372
GeneralizedGuinierPorodFunction 5
P5250
Atom C of residue 19
P3114
P129
P3485
P3035
P1912
Atom HG21 of residue 36
P3059
P7020
P6302
P4648
P4497
P1957
Atom HD12 of residue 67
Atom HD11 of residue 67
P8010
P5272
Atom HA of residue 33
Atom HG3 of residue 51
P8007
P5269
P2774
Atom HB2 of residue 51
P3055
P7016
P6298
Atom O of residue 54
P8005
P4824
P1358
P2921
P5267
P1537
P2772
P3053
Atom C of residue 37
P7014
P6296
P8149
P7049
P4031
P279
Atom C of residue 10
P2771
P1390
P7013
P6295
P2918
P5276
P4836
P8389
P5264
P7979
P8388
P7450
P1320
P3050
Atom N of residue 37
P7011
P6293
P1951
P2917
P2298
P5263
P133
P2768
P3049
P7010
P6292
P4637
P4486
Atom CB of residue 67
P2
P1924
P4534
ListSingletonContainer404
P5702
P6356
P2236
P5706
P1519
P6134
P128
Model 174
P3047
P7008
P6290
P4533
P2765
P7997
P2764
P7006
P0
P1517
P1509
Atom HB2 of residue 32
P3470
P3044
P7005
P6287
P7995
P4530
GLY
P2762
Atom HB2 of residue 19
P2761
P3042
P1572
P269
P7003
P1943
P6285
P5733
Atom OD2 of residue 32
P2759
P3040
P7001
P6283
P3477
P6998
P6280
P7967
P2767
P136
P8277
P2755
P3036
P6279
P7440
P1876
P7964
P2752
P3033
P6994
P6273
P256
P6276
P3030
P6991
Atom N of residue 54
Model 295
P1909
P1365
P3029
P6990
P6272
P7978
P7957
P3105
P2745
P8242
P6987
P6269
P7425
P3025
P6986
P6268
P7975
P6621
P7954
P2742
P2659
P8238
P3463
P3023
P8084
P6984
P6266
P7953
P3101
P4524
P2741
P8083
P6983
P6265
P1358
P8081
P6981
P6263
P1862
P1540
P250
P3018
P8079
P6979
P6261
P3017
P8078
P6978
P6260
P3121
P7947
P3095
P7942
P4513
P2730
P6447
Atom CB of residue 63
P7408
P6888
P7411
Atom N of residue 49
P1336
P3011
Atom OE1 of residue 34
P8072
P6972
P6254
P7941
P3089
P4512
P2729
P3010
P8071
P6971
P6253
P8068
P6968
P6250
P3085
P7937
ListSingletonContainer398
P2725
P2642
Atom CB of residue 49
P1885
P7925
P1878
P3006
P1538
P8067
P6967
P6249
P1517
P7410
P2557
P1848
P3003
P8064
P6964
P6246
P3002
P8063
P6963
P6245
P5652
P3076
P4499
P2644
P2716
P2997
P8058
P6958
P242
P6240
P4498
P2996
P8057
P6957
P6239
P3074
P4497
P1321
P2995
P1525
P8056
P6956
P6238
P1473
P3072
P4495
P1481
P2712
P2993
P1523
P8054
P6954
P6236
P1507
P7399
P1826
P3071
P4494
P117
P2711
Model 57
P1522
P8053
P6953
P1513
P6235
P3069
P4492
P2709
P13199
P7891
Restraint 105
P3067
P4490
P2988
P8049
P6949
P6231
P3066
P2706
P2987
P8048
P6948
P6230
P5650
P3064
P4487
P2985
P8046
P6946
P1500
P6228
P36
P2702
P4439
P6214
P8255
P1841
P2689
P3
P2983
P8044
P6944
P2701
P2982
P8043
P6943
P7325
Model 65
P6225
P4463
Atom CD2 of residue 68
P2976
P4813
P6219
P7926
P1497
P4461
P2974
Atom H of residue 61
P6217
P7923
P1853
P1818
P2971
Atom OD1 of residue 32
P7918
P4453
Atom HA of residue 46
P2966
P34
P5620
P6128
P6553
P6436
P2739
Atom N of residue 64
Atom HB3 of residue 62
P7813
P4452
P4099
P6208
P3414
P169
P1885
P6206
P177
P7913
P4448
P2961
P6201
P226
P6204
P7909
P2957
P225
P6200
Atom C of residue 62
P6433
P7906
P3
P4441
Atom N of residue 62
P4438
P3318
P7288
P3324
P1
P2948
P7867
Atom OD1 of residue 60
P7901
Atom HB2 of residue 31
P4436
P2946
P7865
P7868
P2949
P6836
P6910
P7900
Atom HB3 of residue 67
P7347
P1814
P1871
P6825
P2945
P7864
Atom O of residue 31
P6909
P6191
Atom N of residue 5
Atom CD of residue 63
P7899
Atom H of residue 31
P4434
P1416
ListSingletonContainer336
P6908
P6190
P3397
P4433
P1844
P2655
P2943
P7862
P8219
P6907
P6189
LYS
P3938
ListSingletonContainer454
P1817
P13196
P1850
P4430
P6195
P1859
P8253
P6904
P6186
P4532
P7893
P1830
P4428
ListSingletonContainer140
P6376
P3372
P2938
P7857
P8251
P6902
P6184
P0
P4426
P7858
P2939
P6900
P6182
P7775
P1452
P6179
P7385
P4770
P6175
P7383
P4768
P6173
P5120
P6890
P7340
Atom CG1 of residue 30
P6887
P7379
P4764
P6169
P6886
P7378
P4763
P6168
P7377
P4762
P6167
P6884
P6166
P6883
P7375
P4760
P6165
P7326
P1836
P1456
P6882
P7374
P4759
P1830
P6164
Atom H of residue 60
P3841
Atom CD1 of residue 67
P3838
Atom HD2 of residue 45
P3847
P1839
P6879
P7371
P4756
P6161
ListSingletonContainer451
P3846
P2953
P2950
P7869
Atom CG1 of residue 44
P7370
P4755
P208
P6160
P3845
P1817
P7871
P2952
P6877
P7369
P4754
P6159
P2678
P1808
Atom OG1 of residue 12
P6876
P7368
P4753
P6158
Atom H of residue 61
P3843
P215
P6875
P7367
P4752
P6157
P3842
P6874
P7366
P4751
P6156
P6358
Atom HD2 of residue 29
P6873
P7365
P4750
P6155
P3840
P2112
P6872
P7364
P4749
P6154
P3837
P6869
P7361
P4746
P6357
P6151
P7348
Atom HE1 of residue 59
P4099
P3834
P202
P3827
Atom HA of residue 66
P3824
Atom O of residue 45
P4098
P3833
P7346
P3832
P7344
P3821
PHE
P3830
P1515
P7343
P3829
P8244
P2954
P4377
P2605
P8238
P2593
P41
P3828
P7345
P3831
ListSingletonContainer448
Atom OG of residue 57
Atom H of residue 70
P2103
P13287
P192
P3823
Atom C of residue 43
P3810
Atom HB of residue 44
P3819
P6851
P6339
P6133
P3816
P6971
P25
Model 96
P6772
P8151
P2607
P3841
P6125
P201
P6842
P6330
P6124
P3805
P7325
P7710
P4710
Atom CA of residue 26
P7687
Atom N of residue 56
P7324
P4709
Atom O of residue 27
P6320
P6114
P6113
P6111
P2721
Atom HA of residue 3
P5066
P5944
Atom CA of residue 14
P2
Atom CB of residue 55
Atom HG2 of residue 41
P4260
P2613
P7305
P4690
P6301
P6095
P7780
Atom HA2 of residue 35
P7259
P3300
Atom CG1 of residue 26
P2069
P181
P7259
P7301
P4686
P6297
P6091
Atom O of residue 41
Atom N of residue 41
GLN
P2990
P6038
P6037
UnaryFunction18
P2555
P2818
P0
P4242
P13036
P4241
P2562
P4239
P2560
P164
P4238
Model 421
P2559
P75
P4237
P2558
P7276
P4661
P6272
P6066
P2664
P7725
P4105
P3779
P6063
P7267
P4652
P7255
P4640
P1981
P6263
P2
P6057
Atom CA of residue 52
P7260
P4645
P8541
P6050
P6768
P7858
P8550
P6049
P2667
P7728
P4303
P5461
P0
P5460
P7727
P6045
P2794
P6037
P120
P6240
P3236
P6216
P112
P4351
P4270
P6034
P4348
Atom HA of residue 18
P13103
Atom HD23 of residue 50
P118
P6234
P3230
P6210
P110
P117
P6231
P3227
P6207
P109
P4263
P6027
P4336
P6668
P3224
P3218
Atom H of residue 52
P6204
Atom HE22 of residue 41
P108
Atom HG21 of residue 22
P4260
P6021
P149
P6024
P2774
P6223
P7606
P3210
P7818
P4254
P6018
P3207
Atom H of residue 51
P7685
Atom C of residue 8
P3215
Atom HE21 of residue 40
P8018
P3642
Multivariate Normal distribution 46
P3212
P1321
ALA
ListSingletonContainer445
P3206
P107
P6201
P3197
P5707
Model 353
P4166
P116
P5564
Atom HD13 of residue 13
P3900
Model 354
P7570
P3174
P1321
Atom C of residue 34
Atom HG3 of residue 63
P2718
P7132
P201
P131
P4295
P8004
P3628
P5974
P6691
P5973
P2
Atom HB3 of residue 33
P6690
P6680
P5962
Atom N of residue 33
P12935
Atom CA of residue 47
P2719
Atom N of residue 17
P6671
P3155
P6159
P5953
P7890
P5352
P4451
P0
Atom HB3 of residue 46
Atom CB of residue 5
P7958
P3130
P7768
P6668
P5950
Atom C of residue 16
Atom C of residue 32
Atom CG of residue 16
P240
P4896
Atom N of residue 107
Atom OG1 of residue 9
P5944
P3138
P6142
P5936
P6561
P2690
P7104
P5933
P7938
Atom HB of residue 44
P8546
P12895
P7593
P6637
P5919
P12889
P7587
P5913
P2059
P6104
P4492
P3100
P0
P5304
P4413
P223
P7477
P4
P3105
P3084
P2049
P2654
ListSingletonContainer352
P6104
Atom HG23 of residue 13
P7577
P7812
P4383
P4359
P1
P1814
P8386
P6083
P3079
P4471
P3521
ListSingletonContainer357
P5878
P4185
Atom HH11 of residue 42
P3070
Atom CB of residue 43
ListSingletonContainer217
Atom C of residue 29
P3584
P5868
Atom C of residue 5
P5767
P5269
P1835
MET
P3064
P12843
P7541
P3583
P5867
Atom N of residue 9
P4080
P3055
P12834
P7532
P3574
P5858
P7871
P8493
P7655
P5856
P2609
P5855
P7435
P62
P7483
P3975
P7492
P5818
P6517
P6091
P6876
P3179
P5231
P6165
P7498
P147
Atom N of residue 75
Atom HA2 of residue 75
P6514
P6002
P5806
P3459
P6011
Atom HD21 of residue 25
Atom HA of residue 74
Atom HB3 of residue 40
P3452
P5800
P8316
P3120
ListSingletonContainer489
P7315
P5266
GeneralizedGuinierPorodFunction 17
P45
P5795
P7465
P5994
P8434
P5803
P3509
P5793
P1949
P3497
P5792
P6944
P7373
P4001
P0
P3917
GLY
P8283
P5790
P2262
P7474
P6960
Atom HB2 of residue 40
P2
P7406
Model 51
P2548
P5788
P7007
P8360
P5787
P193
P7778
P5742
P4066
P2965
P7792
P6413
ListSingletonContainer199
P6961
P8303
P6958
P5782
P5781
Atom CB of residue 60
P5779
P7365
P6939
Atom O of residue 19
P5770
P5972
P5769
P4015
P8401
P5970
P8339
P5767
P5833
P5282
Atom O of residue 48
P0
P6909
P8386
P124
Atom OD1 of residue 58
P5759
P3901
P8395
Atom O of residue 10
P2541
P5755
P5752
P5749
P1917
P5747
P5742
P5741
P5739
P1
P8471
P5736
P8470
P5734
P8468
P1903
P5732
P5728
P6956
P4
P2577
P2121
P3079
P3360
P6530
P1704
P10102
P4800
P2574
P34
P3076
P6803
Atom HD11 of residue 69
P3357
P6527
P8359
P10101
P4799
P6952
P2573
P3356
ARG
P6526
Atom HD11 of residue 8
P6359
Atom N of residue 20
P12731
Atom H of residue 36
Restraint 81
P3860
Atom HG3 of residue 19
P3905
Atom HG23 of residue 22
P127
P7427
P3942
P6829
P10095
P4793
P6946
P2567
P3069
P7685
P7235
P6516
P8353
P7425
P1919
Atom HG21 of residue 3
P7423
P8361
P7727
P3355
ScoreState 43
Atom CB of residue 11
P7488
P3912
P6858
P7417
P6876
P7506
P5707
Atom HG2 of residue 18
P8339
Atom O of residue 19
P7376
P1859
Atom CA of residue 21
ListSingletonContainer373
P7400
P5588
Atom HA of residue 70
Atom CG2 of residue 30
P2482
Atom HB of residue 12
P7274
P5685
P6848
P7398
P2
P7394
P7391
P7390
P1845
P7388
P6842
P5679
P7386
P6876
Atom CB of residue 30
Atom HD2 of residue 33
P2449
P7384
P8322
P6843
P5552
P5657
P6003
Atom C of residue 17
P5654
Atom N of residue 17
Atom H of residue 32
P6001
P126
Atom CB of residue 63
P7334
P5652
P1810
P1643
P2519
P5999
P7332
P5650
P5649
P1
P5647
P5653
Atom CD of residue 29
P5641
P5640
Atom CG of residue 42
Atom HG3 of residue 29
P5638
P13526
P6802
P12614
ILE
P5637
Atom HD13 of residue 15
P13520
Atom CB of residue 30
P6808
P51
Atom HZ3 of residue 29
P5872
P5870
P5633
P6789
P7229
Model 283
P12592
Atom O of residue 29
Atom HE21 of residue 31
P202
P7302
P5805
Atom O of residue 15
ListSingletonContainer379
Atom CA of residue 32
Atom CG of residue 2
P5626
P5619
P1383
P8390
P5618
P5617
Model 348
P8256
P6783
Atom HB of residue 14
P2413
P5615
P5613
P7635
Atom CG2 of residue 26
P6309
GaussianProcessInterpolationRestraint 41
Atom SD of residue 1
P7528
P3832
P4115
P5944
P7277
P5601
P5832
Atom HD21 of residue 43
P7305
P8369
Atom HH21 of residue 74
P5596
P6751
Atom HG22 of residue 12
P5594
P7261
Atom O of residue 13
P5588
Atom HG23 of residue 14
P5820
Atom HZ3 of residue 29
Atom HG21 of residue 14
Atom N of residue 32
P7293
P7535
P10794
P119
P7262
P4544
Atom HA of residue 64
P5581
MD 12
P5584
Atom C of residue 25
P7171
P2042
P6740
P2530
Atom HE3 of residue 11
P201
Atom CE of residue 27
P7372
P2366
P1
P5583
P5818
P7291
P5582
P8248
Atom CA of residue 11
P5959
P5778
P2377
P5575
Atom N of residue 74
P5571
P6732
P7241
P5567
P6731
P0
P7240
P5566
P6730
Atom CD of residue 11
P7239
P7238
P5564
P7235
P5561
Atom CD1 of residue 23
ListSingletonContainer130
P7581
Atom H of residue 10
P2107
P7222
P8488
P192
P2758
Atom CG2 of residue 12
P3859
P64
P7258
P3804
P7500
Atom HG2 of residue 63
P5459
P7479
P3783
P5611
Atom CA of residue 63
P6716
P0
Atom HH11 of residue 72
P5545
P7212
P7215
P8471
Atom HD23 of residue 8
P2499
P5541
Atom HB2 of residue 24
P12504
P6682
P3167
Atom HG1 of residue 7
Covariance1DFunction 40
P3691
P5540
P2005
P5536
P179
P5533
P7109
P5718
P7191
SingletonModifier 1
P5529
P1991
P12470
P7168
P5718
P5515
P5712
P5509
P1666
P7430
P3734
P5562
Atom HD22 of residue 60
P7309
P2309
P5500
P5883
P1711
ListSingletonContainer249
P5494
P7166
P8428
P3644
Atom HE2 of residue 6
P2052
Atom HB of residue 70
P5493
P2300
P1963
P5492
P7419
P3723
P44
Atom O of residue 60
P2006
P3640
P6124
ListSingletonContainer248
P3705
Restraint 118
P5485
P5691
P9882
P5432
Model 273
P3635
P5482
Atom HD23 of residue 69
P5481
P1949
P3625
P6121
P5477
Atom N of residue 76
P6674
P7183
Atom CA of residue 75
P8410
P3622
P6118
P3619
P2443
P6115
P5471
P37
P3615
P6111
P5467
P7394
P3698
Atom C of residue 59
P5464
P5523
Atom O of residue 2
Atom N of residue 59
P3609
P7262
P5461
Atom HB3 of residue 42
P5
P2028
ListSingletonContainer245
P1937
Atom O of residue 17
P6146
P5448
P4013
P5636
P3972
P6600
P1
LYS
Atom HG2 of residue 18
P4892
P3727
P7423
Atom HB2 of residue 15
P8533
P185
P3907
P1
P7134
P6587
P1988
P5766
Atom H of residue 50
P3660
P1596
P3659
P2234
P1895
P5419
P1893
P8270
P1935
P6526
P199
P6529
P5366
P7764
P7046
Atom N of residue 64
P7167
P6531
P3078
Model 393
P5363
P6530
P8269
P3077
ListSingletonContainer0
P5362
P8232
P3940
P3076
P5361
P5557
P6522
P3069
P5351
P195
P5354
P3858
P0
GridCPF
P5556
P6521
Atom CB of residue 63
P5353
Atom HB3 of residue 63
P2170
P6520
P3067
Atom HG3 of residue 63
P5349
ListSingletonContainer562
P5352
P6518
P3065
P5350
P2167
P6517
P3082
Model 25
P3064
P6516
P3063
P5348
P6515
P3062
P5347
P1567
P5714
P2730
Model 7
P6513
P2388
P3060
P5345
P3922
P1810
P3070
P6068
P3056
P1915
P5341
P5196
P4994
P3215
P1755
P0
P3053
P3050
P2162
P5338
P3041
P1901
P3561
Atom H of residue 62
P5533
P3052
P5330
Restraint 26
P2378
P3051
P5329
P101
P3047
P5325
P6429
P5978
Atom CE2 of residue 59
P166
P6964
P6859
P3486
P5290
P5287
P175
P6963
P1
P5254
Atom HB of residue 5
P6962
P6857
P3493
P1877
P6969
P1480
P5288
P5285
ListSingletonContainer552
P6961
P2075
P6856
P6424
P3483
P2066
P6846
Atom N of residue 59
P6414
P3473
P3479
P6420
P5252
P6960
P6855
P2
P2512
P6959
P6854
P6926
Atom HB2 of residue 38
P2482
P5250
P2971
P143
P2299
P2479
P5247
Atom CG2 of residue 61
P6955
P6850
P1275
Atom C of residue 46
P6840
P5246
JeffreysRestraint_P1
Atom O of residue 58
P5240
P5239
Model 18
Atom C of residue 57
P5238
P2288
ASP
P5237
Atom C of residue 40
P3386
P2289
P5236
P5233
P7041
P1850
P5232
P2462
P5225
P155
P5228
P5227
P5224
UnaryFunction5
P5461
P3795
JeffreysRestraint_P1
P6932
ListSingletonContainer542
P5223
P2489
P6931
P2337
P4641
P4193
P2276
P5222
P3799
P6930
P5221
P6929
P2976
P6928
P2334
P4638
P4190
P2199
P5219
P2973
P6925
P2269
P5216
P6360
Atom CG of residue 16
P4655
P5124
Atom HG23 of residue 44
P7166
P2185
P5400
P2432
P5195
P6365
P2265
P7299
P1
Atom OE1 of residue 31
P3571
P2436
P5202
P3745
GaussianProcessInterpolation2
P2203
P8141
P3744
P6369
Atom CA of residue 55
P5199
Linear1DFunction 20
P3742
Atom HD12 of residue 56
P6363
P5193
P7290
P2246
P5189
P5187
P120
P1806
P5185
P7575
Atom CG of residue 43
P1806
Atom CD1 of residue 3
Model 201
Atom CG of residue 54
P135
P5180
von Mises sufficient 6
P2162
P5178
P3761
P6773
P8548
P5177
P2147
P7568
P3432
P5238
Atom HD11 of residue 61
Atom N of residue 43
P5176
P2159
ListSingletonContainer90
P5175
P5174
P3544
ListSingletonContainer257
P7271
P37
P2229
P5172
P1
Atom CD of residue 51
P5168
P5166
P3749
P6761
P5165
P7556
P3420
P5226
P8079
P1332
P5164
Atom HG1 of residue 55
P2399
P5162
ListSingletonContainer533
P1778
P5154
P8525
P5153
P2905
P5148
P5858
Atom CG2 of residue 12
P6316
Atom OG1 of residue 12
P6315
P8394
P2383
P6311
P6302
P5854
P5415
P3512
P2200
Restraint 54
P2197
P5336
P151
P5335
P5334
P5331
P7
P5837
P5123
P5325
P5836
P5119
P470
P5832
P5
Atom O of residue 1
P5831
Atom HD13 of residue 50
P5114
P5829
P5112
Atom NE2 of residue 68
P2106
P7498
P5828
P5111
ListSingletonContainer176
P5826
P5109
P8544
P61
P2353
P5825
P5108
Atom CB of residue 50
P5102
P2343
P3253
P3244
P5813
P5097
P8545
P3238
P5807
P5799
P1718
Atom CA of residue 49
P5091
Linear1DFunction 43
P3652
P3236
P5805
P5089
P5087
Atom HZ1 of residue 48
P5086
Atom CB of residue 66
P2089
P5084
P2790
ListSingletonContainer71
Atom OD1 of residue 60
P3316
P5800
P5083
P5082
P8537
P5797
P6285
P8485
P5080
Atom HB2 of residue 65
P7042
P5796
P3311
P5795
P5078
P1743
P3309
P1713
P6894
P8479
P5793
P5784
P1704
P5076
P5792
P5075
P5789
P5072
P5786
P6265
Atom H of residue 30
P5069
P4008
P5785
P5068
P3286
P103
P5067
P3436
P2314
P5782
P5065
P3297
P5777
P2130
P9780
P7165
P5063
P5771
P6224
P5056
P44
P3429
Atom CE1 of residue 59
P5055
Atom CA of residue 47
P7601
Atom CA of residue 3
P5927
P5769
P3270
P121
P6268
P2301
P5051
P2367
P4447
P8552
Atom O of residue 31
P7452
P4468
P4459
Atom HG22 of residue 30
Atom CG of residue 41
Atom HG of residue 65
P3294
P1729
P9766
P7151
P9751
P5
P7598
P3123
P8559
P6642
P5924
ListSingletonContainer513
P5048
P3122
P4514
P6103
P8557
P187
P5047
P3302
P5108
Atom C of residue 36
P1724
P4441
P6725
P7008
Restraint 128
P0
P2759
P6237
P7
P5043
P8444
ListSingletonContainer512
P5039
Atom C of residue 5
P5
P5038
P5037
P10235
P436
Atom CD of residue 2
P5035
Atom H of residue 45
P5034
P2284
Atom CE2 of residue 45
P5032
P1785
P3161
Atom OG of residue 57
P5031
P5028
P8433
P5025
P8325
P5023
P5022
P5021
P6175
P2732
P0
P5019
Atom C of residue 30
P3609
P5893
P431
P6964
P0
P3608
P5892
P5726
P1771
P3607
P5891
P1647
P5015
P4201
P3605
P5889
P6609
P6183
Atom HZ2 of residue 33
P5013
P8521
P5009
P6088
P3084
P4476
P3599
P5883
P5007
P1853
Atom HG12 of residue 3
P81
Atom O of residue 10
P3597
P5881
P8459
P5715
P3080
P6084
P4472
P3595
Model 58
P5879
P1686
P6148
P6
Atom HG12 of residue 61
P5349
P4398
P6682
Atom HG3 of residue 74
P6821
P5001
P6688
P4404
P5337
P4386
P6670
P80
P3214
P4993
P2151
Atom HB2 of residue 74
P3211
P4990
P3226
P3225
P3946
P3224
P3220
P8482
P4124
P158
P72
P5853
Atom CA of residue 1
P10195
P7820
P4368
P6652
Atom HD22 of residue 73
P6135
P2692
P2686
P8435
GLN
P4503
P4891
P3214
P3198
P4977
P8362
Atom O of residue 73
P5852
P8481
P5851
JeffreysRestraint_P1
P3212
P5849
P3210
P157
Atom CD of residue 27
P5846
P6663
P4379
Atom HB3 of residue 73
P3207
P3191
P4970
P3
Atom HG23 of residue 7
P5842
P3462
P6921
P3203
Atom CA of residue 40
P3531
P79
ListSingletonContainer348
P5837
P6896
P1639
P5834
P3471
Atom CB of residue 73
P3195
P5160
P8262
P3179
P4958
P5844
LEU
P5832
P6907
P4864
Atom HH22 of residue 72
P3193
P8328
P78
P5830
P2213
P1590
P3175
P4954
Atom HB3 of residue 65
P5825
Atom HB2 of residue 42
P2
Atom HH12 of residue 72
P6883
P3186
P1714
P4040
P2710
P5218
P2689
P3
P7765
P6882
P3185
P7834
P148
P5823
P6881
P3184
Atom NE2 of residue 2
P2207
P3168
P4947
P6620
P9649
P1710
P6765
P6107
P4945
P5766
P4305
P4939
Atom HG11 of residue 17
P1363
P8280
P6474
P3478
Atom CD2 of residue 59
P5965
P1921
P5968
P3481
P6477
P5087
P4881
Atom N of residue 39
P1
P4759
P6801
P1532
P4846
P4839
P4838
P1594
P4836
Atom CG2 of residue 66
P3049
P1770
P1782
P5986
P1590
GeneralizedGuinierPorodFunction 65
P1592
P8363
P4818
P4822
P5985
P4817
Atom CG of residue 4
P3365
Atom H of residue 68
P6031
P1784
P5984
P8362
P4816
P3763
P5983
P4815
P5981
P4813
Atom HB3 of residue 65
P8357
P6407
P4807
P6908
P4491
Atom HD3 of residue 38
Atom O of residue 35
P7383
P1443
P3028
P5515
P4802
P7379
P5670
P3024
P496
P4798
P3419
Atom HG13 of residue 30
P0
P3178
P1600
P5101
P6500
P2541
P0
P11769
P1751
P1763
P4796
P3021
Atom NZ of residue 33
P4795
Atom CD of residue 29
P151
P5666
P1782
P5074
P3020
P4794
P5993
P2465
Atom CA of residue 18
P3019
Atom CB of residue 14
Atom H of residue 32
P4793
P6613
P6610
P5510
P1501
P7336
P2456
P5662
P4790
P3012
P4786
P8219
P3007
P1749
Atom HE21 of residue 31
P4781
Atom HB3 of residue 34
P3005
P4779
P3004
P8116
P2102
P4778
P1741
P3003
P3002
P3000
P4774
Atom OD1 of residue 32
P6574
P2997
P5445
P6545
P2968
P4771
Atom HG3 of residue 63
P8115
P374
P6522
P6573
P2996
Multivariate Normal distribution 30
Atom CG of residue 31
P4770
P1
P9483
P2503
P11739
P1723
P6568
P2991
P3356
P1727
P6565
P2988
Atom HE22 of residue 62
P4762
P6564
P2987
P6563
P2986
P4760
P6561
P2984
P1403
P4758
P6560
P1401
P2983
P4757
P5475
P202
P1733
P4756
P5955
Atom HA of residue 27
P6558
P5458
P2981
P4755
P6850
P4753
P1709
Atom HG23 of residue 26
P1721
P4751
P4749
P2995
P6572
P6551
P5451
P2974
P2430
P2
P4746
P4739
P1
P4742
P5443
P6543
SingletonScore 10
P2966
P4640
P4142
Atom HD11 of residue 61
P2415
Atom HE2 of residue 11
Atom CG1 of residue 26
P4740
P2421
P4738
P1707
P4
P4736
P5433
P6533
P2956
P3213
Atom CD1 of residue 45
P5453
P2976
P6553
P2973
P6550
P5450
Atom OE2 of residue 24
P4728
P1705
P2970
P6547
P5447
P5931
P6318
P4726
P5597
P2969
P6546
P5446
P6528
P5428
P2951
P4725
P5923
Atom HA of residue 24
Restraint 110
P6544
P2967
P5444
P6526
P2949
P4623
P4125
P4099
P6820
P4723
ListSingletonContainer567
P2875
P2860
P473
P6524
P2947
P6313
Atom N of residue 29
P1693
P4721
P4619
P4121
P6662
Atom HA of residue 73
Atom CA of residue 61
P8453
Atom HB3 of residue 29
P2396
P4719
ListSingletonContainer433
P4718
P6536
P2959
P5436
P6518
P2941
P4715
P4714
P5437
P2960
P6537
P2927
P4713
P6508
P2931
P8441
P1671
P2928
P2946
P6523
P2925
P8043
P7617
P3206
P2916
P5401
P2370
P4690
P2933
P6510
P2912
P1774
P4678
P2035
P3189
P1515
Atom CB of residue 44
P8419
P2909
P3187
P4664
P6430
P1663
P2907
P3617
Atom CA of residue 59
P2915
Atom HD13 of residue 3
P2906
P2902
P1639
P2900
Atom HG2 of residue 27
P2899
P1643
P2898
P8516
P5874
P4874
P4672
P2360
P2897
P8520
P2894
P2865
P8390
P3
P6340
P6331
P447
P1649
P2892
P440
P4666
P8402
P2891
Atom CA of residue 57
P8405
P4665
P8515
P2889
P1873
P5381
P6760
P8404
P4663
P3257
P1625
LYS
P2885
P4659
P2884
P2009
P7557
P4658
P2880
P3610
P2905
Atom HG of residue 69
P6306
P6309
P1603
P1597
P8067
P4654
P4923
P3019
P1439
P5365
P1433
P2870
P4844
P6233
P6230
P4841
P4644
P2867
P6227
P4838
P4641
P1621
P2862
P5336
P2859
P426
P1845
P6730
P1415
P4633
Atom ND2 of residue 25
P2858
Atom N of residue 105
P4629
ListSingletonContainer418
P4632
P5831
Atom HG22 of residue 55
P8485
P2857
P8058
P1609
P2856
P6446
P4630
P162
P2854
P6444
P4628
P3234
P1601
P2853
P2850
P4624
P4623
Model 187
P1607
P2847
P5787
Atom HH11 of residue 54
P8454
P4621
P2846
P4620
P4639
P164
P8468
P5817
Atom N of residue 55
P2843
P8030
P8340
P3179
P183
P2842
P8037
P1569
P8028
P2942
GeneralizedGuinierPorodFunction 58
P1
P8043
P8052
P1583
P1595
P4616
P1835
P5781
P1405
P2840
P2839
P6429
P4613
P2371
P1587
P2838
Atom C of residue 102
P4612
P2834
P6551
Atom HH11 of residue 54
P4608
P3553
P6558
P1444
P1446
P6190
P2293
GLN
P0
P2975
P5321
P2296
P4878
P8441
P2826
P3548
P7518
P3107
P146
P184
P4600
P181
Atom HG3 of residue 33
P2973
P2349
P5319
P4876
P1
P8440
P285
P3546
P3105
P4598
P9325
P2971
P5317
P6194
P5768
P2822
P2812
P2818
P5760
P2970
P5795
Atom CB of residue 54
P6193
P5767
P284
Atom CZ3 of residue 28
P7513
P0
P3102
Atom C of residue 100
P4595
P6189
P5763
P1579
P155
P2829
P8338
P2817
P7509
P3098
P4591
P2964
P5310
P2743
P6695
P2815
P3537
P6542
P7507
P7506
P1962
P3096
P4589
P2958
P5304
P3531
P6536
P3530
P7501
P3090
P8323
P4583
P2957
P5303
P9291
P1373
P7500
P3089
P4582
P5290
Atom CA of residue 23
P144
P2795
P6667
P6241
Atom OD2 of residue 18
P6232
P405
P4569
P2943
P5289
P4568
P2935
P5281
P2786
P3508
P6513
P1404
P7028
P6222
P4
P1965
P5278
P3064
Atom HD2 of residue 37
P7025
P6307
P1534
P2
P2793
P8304
P2781
P3502
P3062
P7023
P6305
P130
Atom OE2 of residue 51
P9274
P2313
P1340
P3935
P3938
P191
P6369
P2242
P4540
P1
P4539
P6627
P8374
P407
P5716
P4536
P1350
P6237
P1907
Atom HD12 of residue 3
Atom HD21 of residue 50
P2765
P2257
P6235
P4873
P1882
P2763
P5243
P8271
P2603
P2957
P4380
P2602
P8245
P2956
P4379
P2955
P4378
P2953
P4376
P6477
P1363
P82
P2598
P2952
P4650
P8086
P2608
P8241
ListSingletonContainer35
P2596
P8078
P1357
P2950
P4373
P4652
P2595
P2949
P4372
P2947
P4370
P1369
P2592
P2946
P4369
P2591
P189
P3818
P2081
P182
P5079
P5957
P4368
P2588
P6022
P6013
P312
P1499
P2587
P1345
P2941
P4364
P2583
ListSingletonContainer135
GaussianProcessInterpolationRestraint 25
P2586
Restraint 96
P6179
P2940
P4363
P2585
P1343
P97
P2581
P4
P2935
P1966
P4358
ListSingletonContainer31
P2934
P4357
P1390
P2932
P4355
P2931
P4354
P2926
P4349
P2922
P4345
P2917
P6
P5927
P1467
P4338
P2913
P4336
P175
P3785
P168
P2517
P2912
P4335
P7870
P8562
P7271
P4656
P6267
Atom HB2 of residue 43
P182
P2910
P4333
P5989
P2554
P2825
P1323
P2553
P169
Atom O of residue 27
Atom HB2 of residue 50
P2904
P4327
P2901
P4324
P80
P5037
P2899
P4322
P7670
P3716
P2504
P2898
P2883
ScoreState 24
P4321
P2897
P4320
P2896
P4319
P2895
P1306
P2891
P4314
Atom C of residue 43
P2890
P4313
P2889
P4312
P2806
Atom HG3 of residue 38
P6126
P2887
P4310
P5500
Atom O of residue 23
P2886
P4309
Atom N of residue 43
Atom HB3 of residue 38
P1439
P2884
P4307
P4306
P3697
P5972
P2488
P2880
P5967
P2875
P4298
P7200
Atom O of residue 51
P1
P7
Atom HD3 of residue 37
P4
bonded
P5960
P2868
P4291
P2781
P4459
P5423
GaussianProcessInterpolation3
P7186
Atom HB2 of residue 50
P5948
P2856
P4279
P3301
P2212
P108
P5867
P1411
Atom O of residue 77
P5947
P4278
P2813
Atom OD1 of residue 52
P7221
P7209
P7730
P4506
P5975
P13084
P3
P2767
P1760
P2462
P5936
P2844
P4267
P2460
P5934
P2842
P4265
P2841
P4264
P1397
P4263
Model 145
P2839
P4262
P11228
P5926
Atom CE of residue 1
P2834
P4257
Atom HB3 of residue 49
P8001
P3625
P13449
Atom HB2 of residue 4
P5898
P1718
P5891
P193
P5888
P5884
P5885
P8526
P2844
P5879
P5868
P4199
P7888
P236
P5852
P2379
P7867
P4183
Atom C of residue 31
P2677
Atom CG of residue 4
P5840
Atom HG3 of residue 2
Atom CG of residue 73
P5830
P7595
Covariance1DFunction 22
P5836
P1662
P7846
P4162
Atom CB of residue 42
P8530
P7845
P4161
Atom CG of residue 4
P7065
Atom HG12 of residue 30
P3547
P2657
P5818
Atom N of residue 2
P4149
P3535
P4
Atom HE21 of residue 49
P5810
P5802
P5824
Atom CD of residue 72
P5809
P4140
P4132
P2331
P4130
P1613
P1330
P5274
P2
P1314
Multivariate Normal distribution 22
Atom CE of residue 29
Atom CG of residue 1
P4129
Atom HA2 of residue 10
P8511
P4122
P215
P4121
Atom C of residue 28
P2616
Atom CA of residue 1
P4117
Atom HD2 of residue 27
Atom HG3 of residue 41
P3565
P70
P1325
P4115
P3253
P5841
P11642
P451
P1
P7600
P7599
P4104
P6947
P1839
P5928
P4103
P7845
P7381
Atom N of residue 24
P6681
P4397
P7569
P159
P3493
P420
P13331
P7568
Atom H of residue 51
P5925
P4100
P4096
P5369
Atom NE of residue 114
P4805
P4095
P1
Atom HG23 of residue 9
P8485
P2618
Atom HB3 of residue 24
P4094
P4092
P5365
Chain A
P2306
P4091
Atom O of residue 9
P1829
P4090
Model 54
P7430
P59
P2310
P4088
P4087
P1851
P2024
P4086
Atom CA of residue 5
P8454
P198
P4084
P8469
Atom CG2 of residue 13
P4077
P7418
P55
P2290
Atom CG1 of residue 13
P4076
Atom NE2 of residue 49
Atom HB3 of residue 8
Atom HA of residue 1
P4074
P4072
P4066
P4065
P4083
P7775
P4062
P2281
Linear1DFunction 33
P4056
P4055
P7494
Atom HE3 of residue 6
P8755
P4761
P184
P4051
P2278
P7492
P4
P4049
Atom O of residue 25
P4047
P4045
P5871
P7487
ASN
P4044
P7485
P8204
Atom CB of residue 68
P7484
Atom C of residue 75
P6009
Atom HA of residue 21
Atom HD22 of residue 67
P7730
P4034
P7476
P3924
P7733
Multivariate Normal distribution 20
P5210
P4032
P1553
P7473
P1773
P7469
Atom HB3 of residue 74
P7737
P1979
P180
P7468
P2679
P7467
P4024
Atom CG of residue 6
P177
P8341
P8153
P7454
P4013
P8152
P7453
P4012
P2231
P8396
Atom C of residue 47
Atom HB3 of residue 73
Atom HA of residue 22
P2243
Atom H of residue 70
P4308
Atom C of residue 51
P4307
P7350
P6924
Atom O of residue 71
P3114
P2581
P4304
Atom O of residue 67
P3378
P4866
P4303
P2230
P8406
P8177
P6035
P7733
P8174
P5697
P7729
Covariance1DFunction 68
P4299
P2636
P7421
P3980
P4293
P8167
P5690
Atom H of residue 50
P7416
THR
Atom O of residue 9
P4292
P1959
P8166
P1325
P5689
P4290
P5687
Atom HD21 of residue 73
P4288
Atom CD2 of residue 45
P5145
P7410
P3969
P4285
P5682
P5681
P5639
Atom O of residue 30
P5141
P2622
P7406
P3965
P4280
P5677
P5137
P3961
P5715
P3939
Atom CA of residue 47
P5676
P2175
P5117
Covariance1DFunction 66
P5136
P3960
P4275
P5132
P4274
P5671
P4273
Multivariate Normal distribution 19
P5670
P5130
P149
P3954
P1734
P5669
P4271
P162
Restraint 46
P5668
P4268
P1956
P4266
P2216
P7443
P8142
P5665
P3949
P1944
P5663
Atom HG12 of residue 30
P3947
P5662
P5122
P4264
P1503
P5121
P3945
P4263
P5660
P3944
P5899
Atom N of residue 19
P107
Atom OE2 of residue 34
Atom HB2 of residue 29
P1689
P7649
P4659
Atom N of residue 71
P3934
P5880
Atom HG23 of residue 17
P1
P5106
P3930
P3929
P4211
P7647
P3927
P3926
P8337
Atom OE2 of residue 18
P3828
Model 234
P2152
P3921
P5596
Atom O of residue 70
P3920
P5595
P3919
P4626
P3916
P2153
P5591
P5731
P1657
Atom HG22 of residue 3
P5590
P3914
Atom HB3 of residue 69
P5587
P3911
P3910
P5584
P3908
P4182
Model 124
P7618
P8059
P7342
P5575
P3899
P2
Atom CB of residue 13
P5573
P7593
P3897
P5572
P7592
P3896
P5569
P7589
P3893
P5567
P7314
Atom CG1 of residue 44
Atom HD22 of residue 15
P2127
Atom ND2 of residue 60
P5566
P2126
P5565
P6274
P5563
P7583
P3887
P7582
P3886
P5561
P7581
P3885
P2842
P3943
P8289
P6268
P3274
P85
P5557
ScoreState 16
P5056
P1633
P5556
P7576
P3880
P3
P7573
P3877
GaussianProcessInterpolation48
P7572
P3876
P3858
P8283
Atom CG of residue 87
P4585
P8021
P1792
P129
P7562
P3866
Atom HB2 of residue 1
P7560
P3864
P7559
P3863
P7558
P3862
Model 347
P7548
P3852
P3872
P7568
P7547
P3851
P7543
P3847
P3867
P7563
P7542
P3846
P7536
P3840
P7996
P7995
P7993
P1764
P5658
Atom HA of residue 3
P5653
P5652
P1750
P2525
P7980
P3843
P7539
P7518
P3822
P5644
P5647
Atom HB of residue 3
P1742
P7976
P3839
P7535
P7514
P3818
P7974
Atom CG of residue 11
P7506
P3810
P5585
Atom HA of residue 74
P5573
Atom HD11 of residue 23
P3826
P7522
Atom H of residue 76
P3802
P7981
P5635
P1567
Atom CD of residue 27
Atom CA of residue 10
P8484
SingletonConstraint 3
P3801
P7153
P7367
P1311
P6727
P2517
Atom HA3 of residue 10
Atom HG22 of residue 26
P3690
P4069
P6707
Atom CA of residue 26
P2521
P5745
P2502
P3813
P7509
P2104
P3812
P7508
Atom NZ of residue 63
P7487
P3791
P3811
P7507
Atom CD2 of residue 15
P7483
P3787
P4505
P1709
Atom HE22 of residue 62
P7477
P3781
P5500
P1751
P6688
P3173
P7476
P3780
P4949
P7473
P3777
P4947
P3795
P7491
P7470
P3774
P5569
P6734
P7596
P7234
SingletonModifier 4
P7243
GaussianProcessInterpolationRestraint 14
P3793
P7489
P7468
P3772
P5563
P7237
Atom HB3 of residue 15
P5735
P189
Atom CG1 of residue 26
Atom H of residue 8
P6176
P5715
Atom OD1 of residue 21
P1694
P5558
P2076
P140
P2236
P2399
P3782
P7478
P193
P0
P5557
Atom CA of residue 11
P7231
P4480
Atom N of residue 5
P2462
P5431
Atom HG21 of residue 61
P7455
P3759
P5758
Atom HG of residue 73
P2109
P2511
P7228
P5585
Atom HG23 of residue 61
P7453
P3757
P5755
P7226
P55
P5752
P7223
P5750
P4063
P7221
P7189
P0
P7446
P3750
P5749
P4056
P0
P7220
P1680
P7445
P3749
P2347
P5748
P7219
Atom H of residue 52
LEU
ILE
Atom CA of residue 1
ASP
Atom HD1 of residue 4
P7444
P3748
Atom C of residue 73
P5746
P2498
P5720
ListSingletonContainer270
P4
P7217
P2062
P7902
P5425
P1951
P5740
Model 350
P5739
Atom HB3 of residue 71
Atom HA of residue 19
P5736
P6177
P7207
P7889
Atom HD2 of residue 54
P4457
P2445
P7432
P3736
P5734
P0
P6163
P89
P6175
P5530
P7205
P4455
P5733
P6697
P2491
P7204
P7429
P3733
P5731
P4044
P7200
P6120
Atom C of residue 18
Model 341
Atom HG23 of residue 3
P7425
P3729
Model 272
P5723
Atom N of residue 8
P2482
P7196
Atom CA of residue 21
P6165
ListSingletonContainer277
P5722
P7195
P2479
P7193
P2360
P4443
P7418
P3722
P5719
P12494
P7192
P2044
P1962
Atom O of residue 14
P4
P7199
P1695
P6161
P85
Atom H of residue 3
P7416
P3720
Atom H of residue 7
P5717
P7190
P1652
Atom HB2 of residue 4
P6159
P5716
P7189
P2429
Atom HG12 of residue 23
P6158
Atom HE2 of residue 59
P87
P6157
P5714
P7187
P3999
P7877
P2434
Atom O of residue 54
P3737
P7433
P4032
Atom HA of residue 23
Atom C of residue 4
P6642
P165
P2440
P5537
P2
Atom H of residue 59
P3730
P7426
P3728
P7424
Atom HG13 of residue 17
P8267
P1681
P6168
P1926
P5656
ListSingletonContainer244
P48
P3726
P7422
Atom HB2 of residue 58
P3086
P5640
Atom HB of residue 3
P1624
P7385
P3689
Atom CG of residue 74
P2
P7383
P3687
P1610
P2400
Atom CB of residue 1
P7373
P3677
Atom O of residue 19
P5
P3673
P5638
Atom HG of residue 15
P3657
P3656
P3653
P2500
P3648
P4854
P8401
P1624
P2529
P1625
P3645
Atom CA of residue 36
P3643
P2366
Atom HG1 of residue 55
P3642
P7
P3641
P3639
P1876
P7073
P1882
P3982
P5399
P3638
P5296
P5293
GaussianProcessInterpolationRestraint 11
Atom CB of residue 45
Atom CG of residue 49
Atom HD1 of residue 4
P3637
Multivariate Normal distribution 38
P8355
P2477
P8314
P3
P2352
P1959
P3909
P1967
P5592
P6557
P3631
P8386
P1610
P1611
P5454
Atom HH11 of residue 54
P3630
P3627
P1859
P8324
LYS
PairRestraint 1
P1945
P6542
P3616
P3613
Atom C of residue 38
P7047
P3956
P5373
Atom CG of residue 48
P5214
Model 321
P3612
P2337
P9
P3610
P3607
P3602
P6527
P3074
P5359
Atom H of residue 33
P1583
P6508
P1540
P3599
P7030
Atom CG of residue 37
P3593
P3592
P1526
P5261
Atom N of residue 10
P187
P1904
P2452
P1555
Atom CD1 of residue 45
P3591
P7287
P3570
P5526
P6491
P3045
P3567
P10547
P2215
Atom HG23 of residue 44
P3558
Atom OE1 of residue 2
P7749
Atom HB2 of residue 46
P6479
P3033
P3844
Atom HD22 of residue 25
P3555
P5510
P6475
P3551
P3549
P8228
Atom HG of residue 50
Atom HD11 of residue 8
P6991
Atom CG1 of residue 44
P4259
P4724
P6989
P4257
P4722
P1495
P6987
P3543
P6982
Model 213
P0
P3537
P4250
P4715
ModelScoringFunction24
P6980
P5213
P3536
P6978
P5211
P3534
P4247
P4712
P2205
Atom CD of residue 41
P6977
P1892
P1855
P5639
Atom HG of residue 43
P1478
P2261
P5210
Atom H of residue 49
P3533
P4245
P4710
P5208
P3531
P5205
P5190
P0
P3528
Atom HG22 of residue 7
P4718
P4253
P4241
P4706
P6971
P2
P6958
P1899
P1862
P5203
P3526
P4236
P4701
P5199
P3522
P5195
P3518
Atom OG1 of residue 7
Atom O of residue 39
P6961
P5182
P5194
Atom HE2 of residue 48
P3517
P5199
P8128
P4230
P4695
P6960
P2246
P3516
P87
Atom OD2 of residue 39
P6420
P6941
P1307
P4700
P4235
Atom HA of residue 48
P4223
P4688
P2378
P6950
P1
P6953
P1456
P5186
P2238
P3509
P4698
P4233
P4221
P4686
P6963
P2173
P6951
Atom HE2 of residue 6
P5184
P3507
P5183
P3506
P4218
P4683
P6948
P5181
P3504
P4694
P4229
Atom HG12 of residue 61
P5180
P3503
P4214
P4679
P6944
P5177
P5179
P4687
P4222
P6937
P0
P6940
P1485
P5172
P3495
P6938
P1442
P5171
P3494
P2187
P5176
Atom HB of residue 61
P4684
P4219
P2203
P6958
ASP
P5170
P3493
P5317
P5308
P1437
P1292
Atom CG of residue 6
P13
P2302
P2156
P6932
P5167
P3490
P6922
P1815
P6930
P5165
P2153
P6929
P5164
P3487
P4644
P4196
P5152
P3475
P1843
P5151
P3474
P3271
P7009
Model 206
P3466
P8179
P4185
P7648
P6892
P3450
P3442
GaussianProcessInterpolation1
P1387
P5546
Atom CG of residue 63
P7150
P8151
P4157
P8094
Atom N of residue 44
P2
Atom HG3 of residue 72
Atom CD of residue 37
P5244
P1351
P0
P6345
P76
P4803
P6335
P12136
P0
P5346
P2
Atom HD21 of residue 67
P1
P6853
P7578
P8089
Atom N of residue 1
P5156
P5874
Atom ND1 of residue 68
P2
P3409
P5497
P4115
von Mises sufficient 5
THR
P10398
P4576
P4128
P1355
Atom HD3 of residue 42
Atom C of residue 121
P1399
P7603
Atom CB of residue 121
P1401
P1779
P3388
P1356
P7552
P8016
P3404
P1354
P3402
P1359
Atom HB2 of residue 2
P3401
P2300
P1653
Atom O of residue 38
P5110
P1387
P3390
Atom CD of residue 34
PRO
Atom O of residue 71
P3389
P6729
Atom HG2 of residue 6
Model 316
P3388
ListSingletonContainer163
P6815
Atom NH2 of residue 54
P1798
P483
Atom CA of residue 123
Restraint 18
P3690
Atom HA of residue 54
P3385
P1336
P3381
P7546
P3379
P3377
P7094
P3376
P3261
P5830
P6804
Atom C of residue 54
P4648
P3
P3374
P7536
P1806
Atom HD12 of residue 69
Atom C of residue 41
ListSingletonContainer79
P3364
P1157
von Mises sufficient 2
P3361
Atom OE1 of residue 40
P50
P8249
P3357
P3356
P3355
P6931
P4
Atom HB3 of residue 50
P3692
P4627
Restraint 155
P3353
Atom HG3 of residue 49
P3316
P3676
P469
P1717
P2
P3346
P3684
P7185
P12068
P2337
P6776
P5107
P3345
Atom OD2 of residue 39
P7040
P3343
P3340
Atom CB of residue 33
P8466
Atom CB of residue 43
P1771
P3339
P8017
P7497
P3337
P112
Atom CA of residue 68
Restraint 156
P3335
P3671
P3659
Atom CB of residue 31
Atom HH22 of residue 42
P3332
P4998
Atom CG of residue 11
P7038
P3331
P3330
P3344
P7041
CHARMMStereochemistryRestraint6
P3323
P3322
P3321
P455
ListSingletonContainer93
P3315
Atom CD2 of residue 67
P1753
P3592
P2
P462
Atom CA of residue 32
P10321
Atom HB3 of residue 29
P3314
P3312
P3307
P123
Atom HG22 of residue 14
P4477
P4456
P454
P3300
P6738
P3296
Atom O of residue 59
P5325
P2773
ListSingletonContainer526
P7153
Atom CG of residue 59
P3295
P1
TYR
ListSingletonContainer250
P3292
P4565
von Mises sufficient 0
P3291
P6718
GLY
P3287
P2759
P9754
P7139
Atom CG of residue 58
P3281
P3299
P6996
P3278
P6619
P6193
P3276
P3275
P3272
P7463
P4483
P3265
P3263
P7413
P5362
Atom HG2 of residue 63
P3255
P6165
P5273
P3147
Atom N of residue 9
ListSingletonContainer151
Atom HG23 of residue 12
Atom HA3 of residue 76
P3253
P7409
P5358
P4407
P6691
P3251
P3242
P5348
P1
P7387
P7851
Atom N of residue 28
P1318
P3240
P4921
P3522
P1685
P3239
P5345
P4394
P6678
P3238
P3237
P2252
P6161
P2718
P6140
JeffreysRestraint_P1
P2235
Atom HD22 of residue 50
P75
P3231
P3563
P6149
P2706
Atom HG2 of residue 62
P4945
Atom NE of residue 74
P5707
P3207
P4986
P3223
P3222
P1798
P7377
Atom CB of residue 74
P1618
P3221
P6577
P1935
Atom NE of residue 42
Atom C of residue 27
P3218
P3931
P3495
P4894
P3492
P1657
P1311
P3209
P405
P3199
P2097
P4874
Atom C of residue 61
P3197
P3180
P4959
P3196
P6111
P2668
P3174
P4953
P6547
P6121
Atom OD1 of residue 25
Atom HH21 of residue 72
P6885
P3188
P2203
GaussianProcessInterpolation13
P4943
Atom HG3 of residue 72
P5142
P7369
P4892
P6872
P3175
THR
Covariance1DFunction 49
P6629
P4345
P3
P3189
P6886
P4457
P4843
P5270
P6603
P3182
P6879
Atom CB of residue 16
P4450
P4869
Atom HB3 of residue 71
P7308
Atom HD12 of residue 71
P391
P4452
P4838
Atom CA of residue 72
P6860
P3163
P4451
P4837
P6859
P3162
P3145
P1561
P4923
P4335
P1589
P388
Atom HB2 of residue 31
P0
Atom O of residue 59
Atom H of residue 31
P6855
P3158
P3140
P3500
P4918
Atom HD11 of residue 71
P3418
P3850
P4812
P7857
P2107
TYR
P3176
P6873
P6852
P3155
P4511
Model 76
P6866
Atom HA of residue 63
P3173
P6870
Covariance1DFunction 80
P2113
P0
Atom HB2 of residue 19
Atom CG2 of residue 23
Atom SD of residue 1
Atom CD2 of residue 71
P3170
P6867
P6845
P3148
P3130
P3167
P6864
Atom HD13 of residue 30
P3129
Atom O of residue 58
P1586
P4806
ASP
Restraint 152
P5774
P3480
P4898
P3157
P6854
P3136
P53
P4312
P2111
P3135
P1724
Atom HG23 of residue 22
P7874
P1725
P1860
Atom CA of residue 19
P7751
Atom N of residue 23
P1726
P3412
ILE
Atom HG of residue 56
P3856
P3134
P4884
P5090
P6
P6483
P6847
P1995
P7292
Atom CG1 of residue 30
P1313
P2096
P1707
Atom HA of residue 55
P377
P3154
P6851
Atom HG11 of residue 70
P3133
P6844
Atom C of residue 70
P10122
P1842
P1381
P8225
P1
P8228
P2094
P3151
P6848
P3130
GLY
Atom OD2 of residue 39
P3143
P6840
P3122
P3142
P6839
P3121
P3120
P3841
Atom HG21 of residue 17
P1366
P1840
Atom OD1 of residue 21
P3140
P6837
P3119
P5227
P3381
P6551
Atom O of residue 56
Atom CD2 of residue 69
P3117
P3115
P3113
LEU
THR
P4287
P3110
P6019
P3226
P3
P3109
P4257
P7704
P365
P3105
ListSingletonContainer1
P3095
Atom HA of residue 3
P3092
P3090
Atom CG of residue 68
P3087
P3085
P3081
P1527
P4352
P0
P4251
P7684
P3077
P4101
P4250
P7683
Atom HB2 of residue 15
P4248
P7681
P3074
Atom HD11 of residue 67
P3073
P5980
P5
P3070
P3065
P5971
Linear1DFunction 10
P4884
Atom HG1 of residue 66
P1513
Atom O of residue 67
P3062
P3061
P2035
P3060
P3781
LEU
P3059
Atom CB of residue 1
Atom HG21 of residue 66
P1441
P0
P3051
P2037
P3050
P6406
P3031
P4810
P3047
P4340
P7727
P3045
P4338
P7725
P3043
Atom CA of residue 65
P4335
P7722
P3040
P3036
P2023
P4330
P7717
P3035
Atom C of residue 67
Model 306
SER
P4326
P7713
Atom O of residue 76
P7184
P3031
P3751
P4324
P7711
P3029
P4323
P7710
GLY
P3028
P3027
P7183
P13537
Atom HD13 of residue 30
P8322
P5865
P5659
P4316
P7703
P3021
P2442
ListSingletonContainer441
P4314
P7701
P2044
Atom CA of residue 66
P4313
P7700
P3017
P3016
P4310
P7697
P3015
P4308
Atom O of residue 67
P7695
P2043
P3013
P3010
P4301
P7688
P3006
P4300
P7687
P3005
P4299
P7686
P4218
Model 303
P3004
P4296
P7683
P3001
P483
P3721
P2999
P3706
P4268
P2114
Atom HG3 of residue 62
P4279
P7666
Atom HE21 of residue 62
P2984
P2814
P2082
P4278
P7665
P4277
P7664
P2982
Atom HB2 of residue 62
P4276
P7663
P2981
P4275
P7662
P6438
P2966
P2440
P6437
P2961
P4616
P4118
P5051
ListSingletonContainer147
P4238
P2086
P6684
Atom HE2 of residue 45
P6675
P2954
P1741
P2784
P2054
P98
P2953
P2952
P8449
Atom O of residue 28
Atom HZ3 of residue 27
P2941
P1671
Atom CE of residue 33
Atom HD2 of residue 6
P3
P2933
Atom CB of residue 60
P2931
P7596
P1
P2929
P2926
P2925
P1779
P4208
P2058
P7645
P1910
Atom HG3 of residue 72
P4198
P0
Atom HE1 of residue 59
P2922
P2048
P7587
Atom C of residue 59
P5015
P2047
P2912
P6344
P1868
P1854
P6329
P1438
P6475
P6234
P4845
P6
Atom CE1 of residue 59
P2910
P1765
P6628
P2026
P1870
P1440
P5374
P170
P2909
P5366
P5
P441
Atom CB of residue 26
P167
P2901
P2033
P2900
P1747
P1688
P2729
P2008
P2898
P2897
Atom HD2 of residue 72
P2895
P2893
P7580
Atom HG of residue 71
Atom H of residue 69
P8081
P1632
P5369
Atom HG of residue 56
P3231
P5819
P8085
P303
P6357
P1865
P1442
P8501
P1435
P8084
P6777
P5398
P6275
P2366
P6355
P6321
P6324
P1617
P1611
P8082
P5844
P1647
P6776
P5397
P1862
P2998
P4902
P1432
P8081
Atom HG12 of residue 70
P8071
P0
P1375
Atom HA of residue 57
P2882
P6775
P5396
P6353
P5814
P8080
P7562
P4110
P7982
Atom HD22 of residue 56
Atom O of residue 57
P8070
P3224
Atom CB of residue 42
P5812
P8078
P1887
P6763
P5384
P1457
P6772
P5393
P6350
P3223
P5811
P8077
SER
P8067
P5395
P6774
P6771
P5392
P6349
P3160
P1345
Atom HB3 of residue 25
P5810
P5805
P8076
P2877
P6342
P3215
P5803
P3218
P5806
P163
P1851
P1421
P8069
P4694
P1881
P2420
P9372
P1451
P6341
P2323
Model 188
P8068
P5386
P6765
P6762
P5383
P6288
ListSingletonContainer416
P1633
P6761
P5382
P1848
P8066
P6758
P5379
P8063
P6335
P8062
P2863
P2411
P6333
P8060
P2408
P6330
P1820
P8057
P4482
P1994
P2858
P5374
P6753
P6750
P5371
P443
P6328
P2378
P8055
P1867
P3
P1437
P6326
P429
P8053
P2854
P6325
P6291
Model 182
P6294
P1589
P2990
P4894
P2375
P8029
P8237
P289
P6243
GeneralizedGuinierPorodFunction 25
Atom H of residue 56
P2337
P6323
P2307
P8050
P6322
P8049
P6240
P2334
P6320
P3212
P8047
ListSingletonContainer420
P6313
P8040
P1853
P1423
P6311
P8038
P8028
P11613
P1605
P2294
P8036
P8236
P6308
P8035
Atom HH22 of residue 54
Atom O of residue 25
P6307
P8034
P413
P6305
P8032
P2382
P6301
ListSingletonContainer429
P6300
P8045
P5760
P8027
P4636
Atom CG1 of residue 17
Atom HG3 of residue 54
P1966
P2379
P6298
Atom CG of residue 111
P5835
P4444
P6297
P3224
P1591
P282
P6290
Atom NE of residue 54
P6289
P6299
P1826
P1396
P1577
P1575
P6279
P6278
Atom CD of residue 54
P6275
P1341
P399
P6273
P1941
Atom N of residue 53
P6263
P4024
P4902
P6258
P6254
PairsRestraint 11
P6251
P1549
P1547
P6249
P2777
P6247
P2331
P6245
P187
P2773
P1536
Atom CA of residue 34
P1874
ListSingletonContainer327
P2771
P6239
Atom HG21 of residue 22
P7
Atom OE1 of residue 64
P2767
P2260
Atom HZ1 of residue 33
P6238
P8370
Atom HA of residue 9
P6248
MovedSingletonContainer9
P6233
P2761
P7955
P2743
P3103
Atom HD11 of residue 8
P4526
P3168
P6234
P1533
P3165
P6231
P2756
P188
P2759
P6230
Atom H of residue 50
P6226
P2752
P5267
P7983
P7980
P398
P4802
P1337
ListPairContainer 0
Atom O of residue 50
P6448
P2751
P6221
P1893
P2750
P2915
P1520
P4818
Atom CE1 of residue 4
P2747
P1334
P4817
Covariance1DFunction 33
P6217
Atom HE21 of residue 49
P2746
P4814
P6214
P8349
P4760
P6
P2237
P4813
P6213
P2
Atom C of residue 64
P2742
P6210
P2723
P7935
P3083
P4506
P1508
P241
P6207
P6161
P6152
P371
P2736
P6206
P4564
P4413
Atom HD12 of residue 13
Atom CG of residue 49
P13225
P1879
P2735
P7920
P1852
P2295
P6205
P6204
P245
P3950
P4827
Model 71
P238
P3077
P4500
P3004
Atom C of residue 34
Atom CE of residue 33
P1854
P2733
P11509
P2675
P6349
Atom CG of residue 42
P8232
P6202
P6201
P8191
P368
Atom HG13 of residue 17
P2730
P3103
P7927
P4798
P6197
P2710
P4493
P6294
P24
P2723
P178
Atom HZ3 of residue 48
P2726
P7908
P1306
Atom O of residue 32
P6290
P17
P2722
P115
P2705
P3065
P4488
P3931
P0
P4806
P4451
P4445
Covariance1DFunction 2
P2718
P0
Atom HD2 of residue 48
P2721
ListSingletonContainer321
P2713
P6183
P2712
P2711
P4673
P7903
P2709
P4538
P1854
P6419
P1819
P234
Atom HD11 of residue 61
P2708
P2
P2691
P2707
P2969
P6212
P2690
P3050
P4473
P2961
P1526
P8022
P235
P6922
P6410
P7804
P8259
P227
P2706
P2967
P1873
P6210
P1
P4534
P2704
P3869
Atom HA of residue 61
P4533
P2703
Atom CG1 of residue 61
P3862
Atom C of residue 68
P2696
P1825
P2170
P2685
P3045
P4468
P4525
P1824
P7886
P4531
Atom HA3 of residue 47
P2701
P224
P2684
P3044
P8265
P3392
P6261
P2698
P162
Atom N of residue 68
P2693
P6914
P6905
P4803
P6196
P2690
P4513
P7874
P1838
P1487
P4446
bonded
P4437
Atom C of residue 61
P2688
Atom HG of residue 67
Atom CA of residue 46
P1815
P5320
P2665
P6039
P4448
P2681
P3565
P7420
P5319
P3024
P2680
P7026
P2202
P6983
P5317
P4698
ListSingletonContainer51
Atom HG23 of residue 66
Atom CE1 of residue 45
P3562
P5316
P2661
P3021
P4444
P4407
P4401
P1
P2677
P5315
P5603
P8307
P2660
P3020
P4443
P2676
P2548
P6048
P3572
P7023
P1886
P10039
P2583
P3465
ListSingletonContainer477
P5314
P220
Atom HB3 of residue 45
P2675
P2138
P5312
Atom O of residue 71
P1618
Model 160
P8234
P213
P3839
Atom CA of residue 60
P2673
P5311
P6374
ListSingletonContainer447
Atom CZ of residue 45
P8218
Atom HG12 of residue 61
Atom H of residue 45
P2672
P2671
P8284
P2384
P7017
P3854
P3459
P3
P5308
P2669
P6370
P210
P4475
P13415
Atom N of residue 59
P1838
P1835
P3361
P0
P2667
P3451
ListSingletonContainer387
P5300
Atom CD2 of residue 59
P3822
Atom HG23 of residue 44
P2656
P13417
P1845
P6363
P152
P2661
P6927
P3554
P7005
Atom HE3 of residue 1
Atom HD1 of residue 4
P5296
P2657
P6971
Atom CB of residue 11
Model 24
P178
P5295
Atom CD1 of residue 44
P8501
P2640
P3000
P4423
P6925
P3552
P7003
P5292
P3820
Atom OD1 of residue 60
P3814
P2648
P1841
P2653
P6945
P6424
ListSingletonContainer241
P5275
P2163
GaussianProcessInterpolation14
Atom HD23 of residue 43
P2636
P2502
P5272
P2319
P2499
P5269
P2893
Atom O of residue 43
P2614
P2974
P4397
P6783
P2630
P1327
P5189
P3512
P7229
P8193
P2242
P8268
P2316
P168
P5266
P329
P6065
P1373
P2971
P4394
Atom CA of residue 72
Atom N of residue 57
Atom HZ2 of residue 11
P2627
P5265
P1429
P6839
P6121
P6327
P7292
ListSingletonContainer304
P2970
P4393
P5263
P2968
P4391
Atom CD1 of residue 43
P2624
P1
P2966
P4389
Atom CB of residue 59
P2622
P2613
P7
Atom C of residue 57
P2621
P8252
P2619
P2959
P4382
P2615
P2604
P6109
P6315
ListSingletonContainer302
P2958
P4381
P2614
P3307
P6807
P4343
P8152
P6773
P2104
P3327
P2611
P8147
P6768
P3322
P3321
P2605
P8144
P6765
P3319
P13388
P7288
P2603
P3315
P8143
P6764
P7916
P190
P2602
P8142
P6763
P3317
P2601
P8130
P3754
P6762
P3316
P7286
P6761
P3315
P7922
P2093
P7285
P2599
P6760
P3314
Atom HB3 of residue 11
P6759
Restraint 14
P3313
P7283
P2597
P6758
P2090
P3312
P13284
P7282
P4278
P4
Atom HB3 of residue 57
P2596
P6757
P7281
P6756
P3310
P7280
Atom HD13 of residue 56
P2594
P6755
Atom CD of residue 27
P3309
P2593
P8136
phys
P6312
P4422
Atom HG1 of residue 55
P6754
P3308
P7278
P2592
P1331
P6753
P3307
P7277
P2591
P6752
P3306
P7276
P2590
P6749
P3303
P7273
P2587
P6746
P7269
ListSingletonContainer300
P1984
P7907
P2079
P7270
Atom HD12 of residue 56
P6744
P3298
P7268
P7809
ListSingletonContainer299
Atom NE2 of residue 41
P6789
P4325
P7278
P4663
P6068
P6274
P3
Atom HH11 of residue 54
P7685
P7262
P7681
P7255
P7679
P7253
P7678
P7252
P0
P7237
Atom NH2 of residue 54
P7677
P7251
P7676
P5034
P5912
P1453
P4323
Atom CG of residue 40
P2564
P297
P4240
P2561
Atom HG21 of residue 44
P6785
P4321
P3284
P7252
P6784
P4320
P4319
P4236
P3741
P6391
Atom CB of residue 3
Model 394
P7748
P2556
P7236
P2553
P7236
P3266
P7235
P2552
P7778
P2801
P4316
Atom HD12 of residue 43
P2549
P1307
P2892
P4315
P2548
P3259
P2524
P12537
MET
P3742
P7620
P7605
ListSingletonContainer573
P6757
Atom HB3 of residue 24
Atom OE1 of residue 24
P2380
P6752
P3291
P7172
P2534
P2438
P7521
Atom HZ2 of residue 63
P6735
P7244
P5570
Atom N of residue 64
Atom HA of residue 11
P6737
Atom HB2 of residue 11
P71
P5522
ListSingletonContainer127
P7247
P5766
P5763
P7209
P5712
ListSingletonContainer124
P191
P2508
Atom CB of residue 24
P7257
P5548
P4052
Atom H of residue 24
P6169
P2492
P5751
P7146
P3692
P2501
P7214
P5490
P2090
P2494
P1744
P3
P5526
P2487
P7204
P8438
P5684
Atom OG1 of residue 22
P3655
P68
P7201
P2424
P6770
P5391
P6348
P3221
P3013
P1446
P4917
P5804
P8075
P4477
Atom HA of residue 61
P2477
P6691
P12496
P3663
P2475
P3660
P2472
P4004
P1
P5513
P2311
P5708
P3656
P4
Atom CG2 of residue 7
P8089
P7098
P6380
P5487
P28
P2465
P2460
P3642
P2456
P3134
P2454
P2841
P4615
P4105
P2452
P4941
Atom N of residue 73
P1700
P29
P2450
Atom H of residue 21
P2446
Atom CB of residue 9
P7144
Atom O of residue 5
P4005
P3626
P27
P6122
P3623
P8414
P5679
P6643
P3128
P2444
P4894
P7439
P7878
P7160
P3624
P5476
Atom CD of residue 2
P7875
P7157
Atom CB of residue 3
P5379
P2415
P2431
P8056
P6295
Atom HD2 of residue 4
P2429
P2428
P6173
P5747
P0
P6292
P1945
P275
P3
Atom HB2 of residue 69
P6635
P7046
P6620
Atom HG2 of residue 19
Restraint 138
P8446
P1666
P2345
P7110
Multivariate Normal distribution 12
P1935
P8544
P6617
P2016
P2417
P2396
P5644
P5637
Atom C of residue 21
P3962
P2011
P2407
P2406
Atom HG13 of residue 13
P1381
P3197
P6266
P8531
P2001
Atom H of residue 20
P2399
P3692
P7388
P3671
P3690
P7386
P3669
Atom O of residue 33
P3668
P2689
P3871
Atom HG12 of residue 61
Atom HG12 of residue 17
P2
P13197
P1851
P2705
Atom CG of residue 63
P6514
P3061
P5346
P8251
P2387
P8343
P2383
P2543
P8339
P3053
P2373
P2603
P2371
P3564
P2668
P3038
GeneralizedGuinierPorodFunction 3
Atom HG1 of residue 14
P3561
P7006
P26
P12302
P8298
P1833
P6998
P106
P7905
P4440
P2360
P5313
P6023
P1883
P2578
P2355
P5207
Atom CA of residue 50
P6024
P6021
P0
P12
P3679
P2351
P5364
P8198
Atom HB3 of residue 49
P3540
P3834
P6448
P6000
P5560
P23
P2524
P2344
P5571
P4
P2343
P5209
P3532
P2341
P4250
P4720
P4255
P2217
P6973
P1472
P4801
Atom O of residue 49
P2338
P3656
P1
P2513
P2331
P3861
P5
P13180
P7350
P3836
P4225
P4690
Restraint 162
P6955
P5188
P3511
P1886
P6467
P1849
P2502
Atom CA of residue 40
P9977
P2322
P4228
P4693
P1455
P6952
P7065
P2968
P164
P6435
P6861
P3488
P1308
P2315
P2313
P1449
P2227
P5962
P161
P1828
P5325
P6941
Atom HA2 of residue 75
P5174
ScoreState 8
P3497
P15
Atom CA of residue 39
P9963
P2309
P6968
Model 226
P1
P6863
P3490
P9945
P2293
P9984
P8263
P5259
P3407
P7358
P2308
P3778
P4384
P2617
P2495
P6860
Atom H of residue 59
P8232
P5256
P3404
P7355
P2305
P3626
P2303
Atom OD1 of residue 58
P2608
P3842
P3807
P2295
P3804
P1837
P5226
P2935
P5426
ListSingletonContainer98
P4123
P159
P2589
P2943
P4366
P1469
P2200
Atom CA of residue 74
P0
P5153
P3476
P9942
P2290
P3814
P5437
P138
P2286
P5234
P2285
P6751
P3305
P7275
P2589
P5506
P6912
Restraint 134
P6820
P3467
P6909
P6901
P5480
P2443
P1
P7325
P3770
P2
Atom HA of residue 6
P1445
P2229
P5939
P3597
P2274
P36
P136
P2277
P2466
Model 224
P9910
P2261
P9923
ListSingletonContainer366
P3286
P1971
P7256
P7306
P4691
P6302
P6096
P4259
P2612
P5936
P3370
P3
Atom HG23 of residue 36
P3594
P5926
P2271
P6418
P0
P1816
P6389
Atom OE1 of residue 16
P6
P9899
P5449
P0
P5923
P2268
CHARMMStereochemistryRestraint1
P2447
P5928
P2267
P146
P2266
P7311
P3447
P9913
P2264
Atom N of residue 56
P5407
P6372
P3354
P2260
P2548
P2908
P4331
P5914
P2254
P126
P2918
P2251
P2247
Atom HB3 of residue 39
Atom HA of residue 56
P5245
P3695
P5094
Atom H of residue 43
P2897
P5892
Atom CB of residue 56
P5182
P1378
P5101
P2941
P2240
Atom HG12 of residue 36
P5136
P7133
Restraint 159
Atom CB of residue 43
P2238
P5179
P2237
P5133
Atom CE1 of residue 4
P154
P2403
JeffreysRestraint_P1
ListSingletonContainer531
P5375
P3322
P2231
P3753
P6765
P5181
Atom NH1 of residue 54
Atom HA3 of residue 53
P5169
P5076
P3541
P7268
P2223
P1772
P7105
Atom OE1 of residue 31
P491
P42
P2400
P5160
P2220
P5114
P7259
P6827
P2405
P6320
P4103
Atom C of residue 54
P3384
P6315
P2909
P6861
Atom CA of residue 43
P5353
P2402
P6317
P2211
ListSingletonContainer154
P2207
P8395
P2201
P3283
Model 430
P5852
Atom O of residue 41
P3342
P120
P3280
P5849
P2359
P3262
P5831
ListSingletonContainer82
P2843
P7216
P9817
P56
P2194
P3370
P3625
P476
P5332
P2370
P2190
P2366
P5328
P100
P2188
P3362
P9828
P2187
P3672
P1359
Atom HA of residue 14
P5363
P3308
P5079
P8561
ListSingletonContainer78
P2
P2186
P3365
P6795
P2376
P6288
P2185
P11217
P5915
P6323
Atom CG of residue 4
P3349
P1578
P8470
Atom HB2 of residue 1
P2178
P5113
P5316
P2177
P118
P2175
P6784
P2169
P93
P2172
P3252
P5821
Atom C of residue 8
P5061
P2170
P2167
P8467
P3341
P2348
P9807
P2168
P3248
P5817
P5101
P2165
P5808
Atom CD of residue 31
P5810
Atom HD12 of residue 15
P3242
P36
P5811
P5095
P105
Atom HG13 of residue 30
P0
Atom CB of residue 122
Atom CB of residue 7
P5044
P3327
P9814
P5364
P8546
P2808
P6248
P2804
P2
Atom HA of residue 60
Atom HD13 of residue 30
P2341
P3234
P2151
P3456
P2149
P1331
P3320
P456
P82
P79
P6752
P32
P3428
P2144
Atom HG3 of residue 48
P3291
P5274
P6243
P2143
P100
P5790
P5073
P5029
P2141
P5787
P5070
P6701
P6275
P5026
P2138
P5865
P4196
P6742
P2137
P7917
Atom CB of residue 31
P3
P9772
P7157
P2136
Atom CB of residue 30
P3419
P5764
P2298
P5766
P6230
P2315
Atom HA of residue 48
P8470
P3216
P2132
P8501
P6773
P5777
P5060
P5059
P7978
Atom HD12 of residue 36
P5015
P2125
P3293
P6271
P2304
P5066
Atom CA of residue 48
P5054
P6250
Atom OE2 of residue 34
P3276
P2120
P11772
P2938
P6470
P6762
P4285
P7672
P2990
P4744
P4752
Atom CA of residue 15
P5622
P2967
Model 299
Atom HD13 of residue 61
P8251
P3856
P7138
P1434
P2976
P6491
P1831
P4739
P3234
P2420
P5909
P8175
P4637
ListSingletonContainer168
P4139
P5895
P4737
P5941
P6447
P8274
P5807
P13488
P8536
P3258
P6251
P5607
P7168
P3
P8198
P7646
P11742
P6440
P1506
P6836
P5002
P8160
P6525
P2948
P4622
P4124
P4098
P2399
P4734
Atom CD of residue 42
P4722
P5925
P6431
P5827
P7300
P3711
P355
P6509
P8183
P2946
P6461
P6460
P4709
Atom H of residue 71
ListSingletonContainer146
P2069
P4694
Atom CA of residue 2
P6450
P8444
P6299
Atom HZ2 of residue 27
P1908
P1478
P4972
P1496
P2446
P8130
P4677
P5879
P4879
P452
P6352
P1
P6281
P4692
P1932
Atom HD22 of residue 71
P2045
P3188
P7583
P3686
Atom HG of residue 8
P35
P2510
P6196
P3203
P6633
P7595
P4081
P2046
P2055
P3185
P4683
Atom HG22 of residue 9
ListSingletonContainer2
P3179
P7569
P2039
P6379
P4581
P2036
P4947
P8105
P2035
P2893
P4667
Atom HB3 of residue 8
P8228
P7128
P4144
P6416
P7582
P7581
P2032
P2034
P5568
P6733
P7242
Atom C of residue 8
P5447
P3606
P4168
P2026
Atom HA of residue 69
P7554
P2025
P8113
P6359
P2024
P3155
P4654
P2023
P3226
GaussianProcessInterpolation72
P6164
P6152
P180
Atom OG of residue 20
P5723
Model 14
P2020
Atom HB3 of residue 25
P6347
P6602
P3597
P4635
P308
Atom C of residue 56
Atom HA of residue 25
P3220
P5808
P2396
P11609
P437
P3012
P4916
P5803
P8074
P7104
P6386
Covariance1DFunction 11
P3590
P4540
P3140
P2010
P8098
P3147
P1863
P7107
P6389
P4639
P3580
P0
P6591
P2007
P2021
P7550
P4036
Atom HD13 of residue 56
P2470
P0
P305
P7552
P2004
P1855
P4617
P7041
P6585
P4140
P2002
P2875
P8386
P4637
P7548
Atom HB3 of residue 56
P2001
P4624
P1995
P2848
P1987
P4622
P6332
P8059
P7535
P1474
P2001
P3142
P1
Atom HG23 of residue 55
P7527
P1990
LEU
P1984
P7509
P1983
P4609
P1981
P2833
P8234
P1973
P4607
P7525
P3114
P1979
P3209
P8044
P1977
P1982
P3110
P3113
P1975
Atom C of residue 75
Atom HG21 of residue 9
P6119
P5475
Atom HG21 of residue 3
P4512
P1971
P2967
P5313
Atom CG of residue 101
P5764
Atom N of residue 100
P4592
P7510
P3099
P1944
P280
P3216
P6287
P1633
Atom C of residue 9
P4584
Model 77
P4579
P8317
P4577
P3525
P6530
P7491
P5646
Atom C of residue 19
P3097
P1952
Atom CA of residue 67
P4557
P1946
P4564
Atom HB2 of residue 52
P13148
P1939
P1938
P2937
P5283
P2326
P7998
P8405
P1931
P4562
P3510
P6515
P3069
P7030
P1937
P6556
P3551
P3550
P8026
P6272
P1950
P3074
P7472
P13149
P1940
P3065
P7902
P7476
P3666
P4618
P4467
Atom OG of residue 65
P1929
P3501
P6506
Atom CB of residue 65
P1928
P8101
P4537
Atom O of residue 65
P7970
P1927
P6257
P6497
P1920
Atom H of residue 51
P3500
P3050
Atom C of residue 65
P1926
P265
P3998
P258
P6498
P3039
P1569
P7000
P6282
P8076
P6976
P1
P3532
P2773
P1917
P3054
P7015
P6297
P4609
P4458
P1923
Atom N of residue 38
P4545
P194
P3946
P3491
P3051
P6303
Atom HG2 of residue 16
P7012
P6294
P2774
P7459
P1918
P4541
P6493
P3943
P1916
P4603
P4594
Atom CA of residue 67
P4452
P1915
Atom HG13 of residue 36
P3486
P1914
P6242
P5
P1910
Atom CA of residue 64
P7949
P6920
P6479
P1903
P385
P6339
ListSingletonContainer400
P7878
P1909
P6481
P2745
P7445
P1904
P4583
P4432
P1900
P7940
P1899
ListSingletonContainer458
Atom CA of residue 50
P3024
P8085
P6985
P6464
Atom C of residue 65
P1886
P3901
P3084
Atom H of residue 49
P2740
P6426
GLN
P5214
P6599
Atom H of residue 25
P175
P2715
P4837
P7415
P7418
P244
P7414
Atom C of residue 49
P1876
GLU
P1927
P4851
P1872
P7911
P1907
Covariance1DFunction 3
P1308
P1308
P1
P2551
P239
P52
P2725
P3422
P172
P0
P4555
Model 294
P4404
Atom HZ1 of residue 48
P2990
P1870
P3073
P1861
P2994
Atom HE2 of residue 1
P1524
P8055
P249
P6955
P6237
P6440
P1867
P2991
P1521
P8052
P6952
P6234
P6299
P2184
Atom CB of residue 32
P4691
P0
P6589
P372
P7921
P7393
P6873
P4392
P1859
P3066
P8217
P6328
P2275
P8236
P1816
P2694
P3054
P4477
Atom CG of residue 48
P2710
P5626
P8551
P5629
ListSingletonContainer156
P5298
P2345
Atom HD13 of residue 44
P1848
P2658
P1847
P1846
P6895
P3522
P3439
P2337
P3808
ListSingletonContainer446
P1
P1843
P8104
P6068
Model 162
P8132
Atom HZ2 of residue 48
P5197
P1835
P1834
P5274
Atom HB3 of residue 4
P91
P92
P2325
P5278
P3800
P13397
P1828
P2623
Atom HD21 of residue 43
P2639
P3354
P181
P2904
P1833
P2637
P1831
P6858
P7350
P4735
P6140
P6346
P7311
P7349
P13171
P7861
P2942
P6867
P7359
P4744
P6355
P6149
P7921
P2962
P8023
P6923
P6411
Atom HA of residue 62
P1822
P7922
P2970
P6213
P9182
P2828
Atom HG1 of residue 7
P4644
P27
P3403
P7372
P2691
Atom HD21 of residue 67
P1819
P3049
P5327
Atom HD13 of residue 67
P1818
P1816
P1463
P6400
ILE
P4360
P2
P4511
P1811
P4653
P2222
P7883
P6913
P2955
P1810
P2754
P6637
P12894
P7592
P6636
P5918
P8445
P5249
P3624
P95
P4
Atom HD22 of residue 50
P1790
P80
P1788
P4983
P1787
GLU
P4926
P3527
P4537
P4
Atom HE3 of residue 63
P7421
P6721
P4437
P4419
P6703
P3262
P3257
Atom CG of residue 34
P2210
Model 240
P6598
P8465
P9719
P7104
ListSingletonContainer152
P2280
P3399
P5744
P3250
P5293
P3167
P6726
P1776
P5723
P1774
P8020
P2173
P8017
Atom HZ3 of residue 63
P451
P4968
P5832
P449
Model 189
P2724
P1773
P5010
P3247
P72
P67
P5727
P3594
P2265
P5011
Atom HD13 of residue 30
P1770
Atom HB2 of residue 74
P3943
P424
P7870
P7406
P2058
P5355
P2258
P2739
P8466
P6170
P1772
P2727
P71
P1765
P4953
P3069
P12848
P7546
P3588
P5872
P1892
P7855
P7391
P6155
P4938
P1745
Atom HG23 of residue 14
P3054
P12833
P7531
P3573
P5857
P414
P6799
P8283
P2697
P1744
Atom HZ2 of residue 11
P8276
P2695
Atom O of residue 62
P3217
P6646
P1746
P5693
P2218
P5186
P8285
Atom HG3 of residue 62
P3122
P1736
Atom CA of residue 62
P5247
P1735
P9721
P7106
P2262
P1767
P6681
Model 4
P8259
P6776
P1774
P6912
P4872
P1
P7355
P5304
P409
P6137
P1733
P5841
Atom HB2 of residue 73
P3202
P2223
P7339
P7891
P0
P6908
P4865
P1632
Atom HA of residue 73
P1723
P133
P4969
P3190
P6551
P8261
P3107
P1722
P7061
P3323
Atom HD11 of residue 3
P5672
P3456
P10171
P7796
P4363
P4997
P7850
P10148
P399
P1711
P3092
P1705
P1701
P8398
P8384
P1321
P1697
P4116
P6005
P5655
P1575
P4938
P3160
P1694
P1693
P6518
P0
P6092
P1690
P4877
P8388
Atom HG23 of residue 30
JeffreysRestraint_P0
P3178
P6875
P3475
P1533
P6063
P8382
P7313
P4086
Atom HB3 of residue 25
P2985
P7815
Atom CG of residue 38
P6957
P5785
P3062
P1680
P1678
P6077
P9614
P1677
P2169
P1673
P2
P10077
Model 195
LEU
P11888
P6065
P1667
P1668
P7750
P5249
P6582
P7368
P6942
Atom HD2 of residue 59
P8288
P5776
Atom CD of residue 72
Atom N of residue 20
P4849
P3127
P2610
P2156
P6487
P4891
P1658
P1931
P3913
P8406
P3483
P6479
P5967
P1
P5764
P6987
P6709
P3238
P1656
P6473
Atom C of residue 6
P45
P3115
P3245
P6038
P2141
P3248
Atom HD2 of residue 38
Atom HB3 of residue 21
P5748
P3223
P1642
P3100
P6541
Covariance1DFunction 35
P1638
P6037
P8333
P6972
P2
P1640
P6830
P4794
P1310
P2130
P5072
P2136
P6544
P1639
P5124
P3433
P1806
P6950
P2571
P6448
P9569
P1635
P3443
P2558
ListSingletonContainer492
P7419
P3978
P8332
P1633
P3097
P6957
P1634
P2578
P3080
P1629
Atom C of residue 20
Atom OD2 of residue 21
P6451
P3208
P1628
P8324
P1626
P5057
P6529
P1625
P3085
Atom HA of residue 68
P3366
P9551
GeneralizedGuinierPorodFunction 66
P9554
P1621
P5123
P1616
P4844
P5546
P8297
P3412
P6503
P6917
P0
P9572
P5122
Model 200
P1618
P4843
P7240
P7240
P6523
P6947
P3070
P3351
Atom H of residue 5
P116
P5555
P5044
P6514
P1611
Atom CA of residue 69
P1608
P6001
P1606
P5531
P4
P1604
P3067
P1599
Atom HE3 of residue 33
P6869
P109
bonded
P6864
P5701
P2496
P6926
P1597
P6815
P4779
P8365
P4832
P3055
P5026
P1596
P1595
P1591
P6495
P9524
P1593
P6954
P2575
P2120
P3933
P1589
Atom CA of residue 68
P3052
P3163
P1586
P6281
P2168
Model 168
P1580
P9509
P1579
P1578
P2542
P2156
P5594
P3918
P5970
P11771
ModelScoringFunction26
P6911
P2542
P1577
P1575
P4332
P7719
P2060
P3037
P3148
P1572
P1571
P4799
ListSingletonContainer450
P4996
P1568
P3736
P1566
P9494
P1565
P3368
P8068
P2136
P5579
P3903
P4775
P5938
P2
P1562
P5957
P8223
P1561
P7364
P13543
P7341
P6820
P8302
P2110
P8304
Atom HA of residue 16
P3010
P2519
P5943
P1553
P1552
P1582
P2951
P6483
P5940
P6446
P1549
P4664
P7148
P4166
P4284
P7671
P2989
P4263
Restraint 145
Atom HE3 of residue 6
P4302
P7689
P3007
P0
P2509
P1543
P4768
P6865
P4769
P4966
P2912
P1540
P3275
Atom HZ3 of residue 6
P8114
P6521
P356
P8180
P2128
P1539
P2127
P3362
P5927
P1538
P2092
P5636
P1558
P3133
P9464
P1537
P6840
P2
P1536
P1535
P4287
P7674
ListSingletonContainer436
P1533
P1532
P4167
P1776
P7673
P5624
P2908
P4754
P4951
P2897
P1526
P1525
P1522
P3879
P7575
P8253
P5934
Atom H of residue 26
P2
P4935
Atom HA of residue 26
P1518
P1515
P5809
P8537
P2067
P5609
P2882
P1512
P1511
P1926
P6406
P1510
P9433
P1508
Atom HG12 of residue 13
P5073
Model 87
P2963
P6478
P3305
P5893
P1505
P1
P5004
P2475
P8159
P474
P8162
P1504
P1501
P6527
P2950
P2867
P1498
Atom C of residue 17
P4724
P8364
P2939
Atom HD21 of residue 60
P4920
P1497
P2397
P1912
P6391
P6388
P5881
P8554
P1495
Atom N of residue 28
P1918
P5417
P3058
P1488
P2948
P2530
P5543
P6754
Atom CA of residue 13
P196
P2542
P5912
P1524
P7095
P48
P3290
P1921
P1491
P2930
P1920
P1490
P11676
P3
P6462
P2947
P11682
P468
P4989
P8147
P8443
Atom HZ1 of residue 27
P4904
P6512
P2935
P8550
P2852
P1484
P7585
P5
P5578
Atom CZ of residue 45
P6452
P1909
P9402
P1479
P5866
P1481
Atom CG1 of residue 13
P6796
Atom CG of residue 33
P2932
P2920
P326
P7612
Atom HG23 of residue 44
P2749
P6444
GeneralizedGuinierPorodFunction 61
P1470
P4694
Atom HE of residue 72
P7126
P8155
P2840
P1902
P1472
P1899
P1469
P1897
P1467
P1896
P1466
P3260
P5848
P1893
P1463
P4959
P8117
P4076
P4588
Atom CD2 of residue 59
P1892
P3289
P1890
P1885
P1455
P2369
P2905
P2822
P1456
P1
P11667
P1888
P1458
P1474
P3043
P1883
P1453
P1879
P1449
P3606
JeffreysRestraint_P0
P3165
Atom CD1 of residue 71
P7577
P8102
P1448
P3163
P1327
P7573
Atom C of residue 58
P11652
P1874
P1444
P6408
P2003
Atom C of residue 57
P1876
P2890
P2807
P4664
P1866
P9356
P1436
P1434
P8110
P11637
P1860
P1430
P1861
P1431
P8502
P8061
P5358
P2331
P6237
P4648
P1859
P6745
P1857
P1427
P3228
Atom O of residue 72
P5720
P5517
P1426
P1855
P1840
P6314
P1424
P5753
P7224
Atom HZ of residue 4
P5444
Model 384
P1882
P2326
P8384
P3248
P5798
P8487
P3217
P5805
P8071
P5796
P1419
P6597
P7563
P1374
P1850
P1420
P2852
P2321
Atom HB of residue 55
P1847
P2387
P4829
P1843
P1413
P1410
P8087
P1412
P5339
P1836
P1406
P2890
P4618
P1831
P1401
P4021
P8188
P7088
P2783
P1833
P2845
P4619
P2762
P6714
Atom NH1 of residue 42
P1829
P8444
P1399
P3223
P1822
P1392
P1824
Model 181
P8039
P1823
P11576
P423
P8041
P5772
P2830
P2747
P6699
P7562
P4946
P7522
P7521
P1976
P6656
P4877
P1389
P11592
P1818
P1388
P4603
P1817
P1387
P5288
P1365
P5297
P8015
P1
P1815
P1385
ListSingletonContainer267
P6116
P5472
P1814
P8239
P1377
P1375
P8023
P4789
P5749
P5740
P1558
P1568
P5753
P5308
P2339
P8012
P2730
P6682
Atom H of residue 39
P7505
P3094
P8018
P1371
P1555
P1567
P4586
P1369
Atom O of residue 4
P2338
P11557
P1553
P1367
P1552
P1366
P8012
P4574
P2945
P5291
P2269
P1362
P6246
P1361
P1545
P9276
P1359
Atom CA of residue 53
P5018
Atom HA of residue 3
P4997
Atom C of residue 60
P5403
P2012
P8008
P4774
P6676
P2329
P5734
P1544
Atom CG2 of residue 98
P2798
P2724
P1988
P2715
P3079
P3134
P11524
P2690
P6642
P8384
P11541
P1538
P1352
P2709
P6661
P8532
P2002
P1535
P4559
GeneralizedGuinierPorodFunction 57
P1348
P3656
P2632
P6603
P2005
P2401
P1347
P5271
P2776
P264
P7989
P5722
P1344
Atom HB3 of residue 37
P2140
P5304
P1271
Atom HZ of residue 45
P2053
P5242
P1342
P3964
P4548
P4552
P396
P1335
P4819
P6219
P1336
P6491
P1898
P2594
P4374
Atom HD11 of residue 3
P8513
P4110
P5746
P3895
Atom CA of residue 36
P216
P2666
P1322
P1317
Atom HG11 of residue 26
P1
P1807
P5336
P3229
P2264
P6831
P6819
P1643
P85
P3232
P6946
P3417
P2717
Atom C of residue 63
P1307
P0
P6053
P5339
P2702
P1
P4526
P4517
Atom HG2 of residue 62
P7887
P6409
Atom HE21 of residue 62
P2885
P1492
P6420
P3417
ListSingletonContainer453
P1904
Model 66
P7890
P219
P4425
Atom ND2 of residue 60
Atom CA of residue 59
P6899
P6181
P8102
P9115
P2169
P6066
P13387
P2889
P4219
Atom HD13 of residue 44
P2647
P12867
Atom HB2 of residue 43
P2307
P4085
P5962
P3094
P3976
P5934
P6443
P4
P4321
P7708
P0
P3026
P1566
P10785
P86
P3275
P5863
P1907
P1477
P5928
P5544
P1756
P4419
P5434
Atom N of residue 63
P7383
P6863
P7386
Atom N of residue 48
P2986
P6229
Atom CB of residue 61
P5714
P1553
Atom OG1 of residue 12
P5305
P5360
P3807
P7693
Atom HG3 of residue 48
P2243
P3513
von Mises sufficient 9
Atom H of residue 23
Atom H of residue 27
Restraint 58
P5219
Model 9
P5734
P3235
P87
P2147
P435
P3572
Atom C of residue 14
P7378
P7842
P3232
P3105
P3377
P5223
P10093
P1816
P6556
P1547
P3099
P5565
P4842
P3337
Atom H of residue 9
P4727
ScoreState 0
P4797
Atom H of residue 74
Atom HD13 of residue 13
P2802
P5
Atom O of residue 24
ListSingletonContainer133
P7299
P5590
P8537
P2934
P6511
P2913
P8031
P7605
P3194
P3246
P5834
P5398
P2367
P5889
P4889
P4687
P6723
P3695
P2504
P4647
P5849
P4847
ListSingletonContainer421
Atom HD11 of residue 71
P2899
P2087
P5726
P2080
P5523
P2809
P2881
P4655
P7442
P7883
P5406
P2025
Atom CD of residue 19
P2019
P158
P2418
P7911
P7485
ListPairContainer 1
P8214
P4530
P2746
P7958
P3106
P4529
P1895
P5284
P3339
P199
P1
P2629
P1356
P7827
P7551
P8396
P6605
P1696
Atom HB of residue 36
P6924
P1889
P1459
P2079
SingletonConstraint 1
P2738
P2206
Atom CD1 of residue 30
Atom HA of residue 74
P3602
P5886
P7362
P7365
Atom HG of residue 73
P5927
Atom HA of residue 51
P4102
Covariance1DFunction 30
ListSingletonContainer40
P2600
P7268
P4653
P6264
P6058
P6345
P2240
P4816
P6216
P7333
P3
ListSingletonContainer161
Atom C of residue 43
P5491
P1996
P3125
P7965
P295
P4047
P4925
Atom CG2 of residue 23
P2622
P6465
P3019
P2973
P1887
P6216
P6309
Atom H of residue 47
P6162
ListSingletonContainer318
Atom N of residue 62
P2956
P6199
P2631
P2991
P4414
P1840
P8138
P2896
P6483
P327
P7815
Atom HA of residue 56
P3326
P7785
P12165
P2425
P5821
P4173
P2358
P7857
P4152
P7556
P6564
P8485
P7114
Atom CD of residue 72
Model 36
P3555
P5541
P3632
Atom HB3 of residue 54
P4491
P1964
P3545
Atom HG3 of residue 16
P5540
P2035
P7322
P7707
P4707
P6112
P6662
P6244
P8446
Atom H of residue 64
P4980
P6176
P2733
P6179
P2
Model 99
P2271
Atom HG22 of residue 44
P3226
P6155
P1742
P4914
P3457
P8176
P3447
P5937
Atom H of residue 21
P2573
Atom CD1 of residue 36
P2533
GaussianProcessInterpolationRestraint 39
P3640
P4
P5272
P4154
P3881
Atom O of residue 37
P3073
P5358
ListSingletonContainer27
P2477
Model 381
P6053
P8225
P7785
P5749
P5297
Atom HG2 of residue 74
P6962
P5694
P8088
P4950
P4026
P12376
P4
P196
P2239
Atom CA of residue 40
P0
P7058
P5811
P4142
P1652
Atom H of residue 34
P6971
P3524
P4923
P1879
Atom CA of residue 76
P5
Atom HG3 of residue 16
P7917
P4
P3245
Atom HA2 of residue 75
P80
P3596
P5880
P5004
P3392
P5297
P8482
P3171
P6957
Atom C of residue 75
P3389
P5734
P3240
P6954
Atom N of residue 75
P6716
P11971
P2049
P6952
P3233
Atom HH11 of residue 74
P0
Atom H of residue 74
ARG
P3929
P7374
P4372
P6656
P4936
Atom N of residue 24
P8359
P3208
P8275
P2229
P5686
P4887
Atom HD22 of residue 73
Atom HG21 of residue 26
P153
P5843
P10202
Atom CB of residue 23
P5188
P4883
Atom HD12 of residue 73
P6675
P4391
P4373
P6657
Atom HD11 of residue 73
P6683
P63
P160
P8353
Atom NZ of residue 11
P3201
P1728
P5185
Atom CD1 of residue 15
P4880
Atom HB3 of residue 73
Atom HB2 of residue 73
Atom HG1 of residue 7
P5838
P5183
P5012
P4378
ListSingletonContainer500
Atom HG21 of residue 61
P3913
P7879
Atom CD1 of residue 73
Atom HD22 of residue 25
P6914
Atom CG of residue 73
P3525
Atom CA of residue 6
Atom HD21 of residue 25
P4071
P8453
P4068
P1717
P5231
P1720
P6669
P7348
P4
Atom N of residue 73
P5826
P403
P3454
P10169
P7794
LYS
Atom HE of residue 72
P3452
Atom HG3 of residue 2
P6662
P6538
P6112
P3094
Atom H of residue 41
Atom HG23 of residue 17
P1637
Atom HG2 of residue 72
Atom HA of residue 72
P6892
P3889
P6653
P7905
P1754
P10157
Atom CD of residue 24
P7782
Atom CZ of residue 72
Atom CA of residue 23
P2051
P4046
JeffreysRestraint_P0
Atom CG of residue 72
P2206
P5273
P6606
Atom HD2 of residue 27
Atom CG of residue 2
P4454
P4840
Atom C of residue 72
P7843
ARG
P6641
Atom HD23 of residue 71
P7478
P3498
P6868
Atom H of residue 71
P8420
Atom CB of residue 40
P8427
P3253
P1670
P1672
P1679
P3854
Atom N of residue 71
P7748
Atom HB2 of residue 56
P5247
P6580
P6618
P6613
Atom C of residue 76
ARG
Atom CB of residue 70
Atom HD23 of residue 71
P6059
P1373
P3840
Atom O of residue 70
P5763
Atom N of residue 44
Atom N of residue 40
VAL
Atom N of residue 70
Atom HG2 of residue 38
P6559
P1653
P8486
P5751
P2091
P1
P3
Atom O of residue 5
P1518
P5083
P4877
P3106
Atom CB of residue 69
Atom O of residue 17
P7718
Atom HG22 of residue 70
P3379
Atom CA of residue 69
P3102
P7697
P362
P4256
P7230
P1316
Atom C of residue 6
Atom CA of residue 70
P4282
Atom HA of residue 19
P2055
Atom ND1 of residue 68
P3089
P3800
P7247
P7770
Atom HD21 of residue 69
P2214
P4276
P5673
Atom HD11 of residue 44
P5133
P3957
P3356
P6798
Atom HD23 of residue 67
Atom OG1 of residue 12
P5035
P5548
P2
P3794
P7800
P8185
Atom H of residue 18
Atom HD13 of residue 67
P3790
P6352
Atom C of residue 49
P6554
Atom HG21 of residue 9
P7752
Atom N of residue 69
P3785
P2043
P1519
P3069
Atom H of residue 67
P7793
P8178
P2041
Atom O of residue 18
P4745
P4247
Atom CG of residue 67
P3782
P4344
Atom HE1 of residue 68
Atom CB of residue 67
P6053
P8338
P3781
P0
P6540
P3321
P1642
P3322
P4777
P3413
P4830
P3053
P4229
P3747
Restraint 53
P8281
P1585
P7395
P8280
P1583
P3040
P5011
P6761
P5593
VAL
P3917
Atom HB2 of residue 65
P3039
P3750
Atom CG of residue 8
P6515
P3034
Atom CB of residue 65
P3748
P5669
P4797
P3745
Atom HA3 of residue 75
P3301
Atom HG3 of residue 64
Atom HB2 of residue 64
P4317
P7704
P3022
P5989
P1560
P5959
P6736
Atom CB of residue 64
P5988
P6494
P2511
P491
P8120
P1
P4304
P7691
P1463
P3009
P7705
Multivariate Normal distribution 16
P6721
Atom HB3 of residue 63
P5639
P3273
Atom HB2 of residue 63
P3271
Atom H of residue 63
P4292
P7679
P5930
P6707
P8098
P8174
Atom HG21 of residue 30
Atom N of residue 15
P5620
Atom HB3 of residue 62
P4745
P8210
P3248
Atom CD of residue 62
P4799
P2066
P5606
P5423
P2
Atom H of residue 47
P4724
P7298
Atom N of residue 13
P5589
P5888
P1682
P8158
Atom CG1 of residue 61
P463
Atom CD1 of residue 73
ILE
P4601
P1685
P6520
P2943
P4717
P4617
P4119
P6660
P0
P4768
Atom HD2 of residue 29
P6515
P2938
P4712
P4612
P4114
Atom CG of residue 29
P2927
P461
Atom HE2 of residue 6
P2935
Atom H of residue 60
P4711
P1795
P4107
Atom HG3 of residue 63
Atom OH of residue 59
P1373
P3190
Atom CZ of residue 72
Atom HG21 of residue 5
P7260
P5551
P5754
Atom HA of residue 25
P7225
P1698
P324
P2921
P2421
P6345
P3624
Atom CA of residue 70
P6387
P2901
Atom HB2 of residue 58
P1502
P1869
P3246
P7560
P90
P1875
P1445
Atom N of residue 59
Atom NH2 of residue 72
Atom C of residue 71
Atom CA of residue 58
P5562
Atom HD3 of residue 27
P3786
P7482
P3765
P3059
P6361
P2878
Atom HG21 of residue 70
P2015
P8497
P6595
P3148
Atom HD23 of residue 56
P5511
Atom HG13 of residue 26
P8473
Atom N of residue 73
P5743
P8100
P6391
P1334
P7537
P7536
P7531
P1993
P5490
P4534
P4024
P8191
P7091
P6570
P4125
P1988
P1992
P6167
P5724
Atom HD21 of residue 25
P7197
P3747
P7443
P4527
P5488
P4813
P2
P7955
P6359
P4013
P3112
Atom N of residue 55
Atom N of residue 21
P8408
Atom HG1 of residue 9
P10709
P4887
P39
P4153
Atom HB2 of residue 68
P1972
Atom HG3 of residue 40
P4591
P1380
P3994
P12424
Atom CB of residue 19
P1638
P3695
P2671
Atom HG23 of residue 5
Atom HG2 of residue 54
P2866
P7502
P2274
P4584
P3986
P1942
P1946
P2731
P6683
P2
P7171
P1667
P3
P1315
Atom C of residue 54
P1825
P5774
P1395
P6281
P7939
P4576
Atom O of residue 19
P6614
P63
P3976
P3967
Atom HA2 of residue 53
P2796
P1
P3077
P7038
P2261
P4570
P139
Atom C of residue 53
P2397
Atom HA of residue 15
P1916
P5277
P2710
P6662
P2782
P3063
P7024
P6306
P1527
Atom C of residue 52
P2779
P3060
P7021
P2391
Atom N of residue 52
Atom HA2 of residue 10
P4548
P3054
P7891
Atom HA of residue 51
P1372
P4883
P3035
P6494
P2776
P3939
P4538
P8105
P4541
P7455
P1890
P2772
Atom CA of residue 51
Atom O of residue 64
P7446
P189
P7212
P2221
P1973
P8344
P6572
P3646
P2769
P4002
P3934
P2381
P4364
P2495
Atom CE3 of residue 62
Restraint 30
P6476
P1884
P1507
Atom CA of residue 32
P4866
P3474
P7952
Atom CG of residue 18
P3100
P4523
P6228
P7886
P2603
P6475
THR
Atom CD2 of residue 50
Atom C of residue 22
P1896
P1892
P3021
P8082
P6982
P6264
P19
P3611
P7071
P3072
P2
P8075
P6975
P6257
P3
P1
P7758
P5432
Restraint 66
P1868
Model 256
P4849
P4493
P7828
P3437
Atom HE2 of residue 48
P2175
ASP
P2703
P3063
P6287
ListSingletonContainer149
P2998
P8059
P6959
P3433
Atom HG3 of residue 48
P1881
P4488
P6432
P3428
P7393
P4508
P2
P8164
P5171
P4447
P12295
Atom HG12 of residue 26
P103
P39
P5617
P356
P6407
P4367
Atom CB of residue 46
P2686
Atom O of residue 46
P9162
P2808
Covariance1DFunction 31
P3048
JeffreysRestraint_P0
P7907
P4442
P6198
P6382
Atom HB2 of residue 67
P13
P3402
Atom C of residue 47
P348
P3848
P1812
P350
P1863
P3391
P4462
P2679
P8216
P6837
P7989
P221
P11403
P351
Atom C of residue 45
P0
DihedralSingletonScore2
Atom N of residue 45
P157
P6379
P9125
P5131
P15
P3555
P2642
P3002
P4425
P6136
P6889
P6171
Atom CD1 of residue 61
P6216
P1393
P69
P7315
ListSingletonContainer444
P5491
P7387
P5548
P3010
P8280
P5580
P8125
P340
P4523
P7884
P7354
P8213
P2
P4419
P3363
P6881
P7373
P4758
P6163
P4392
P4399
P3342
Atom H of residue 44
P2332
P2781
P338
P6449
P12249
P2
P5281
P8250
P6100
P2657
P3103
P3519
Atom HD3 of residue 6
P7380
P93
P2328
P6359
Atom CA of residue 44
P4241
P5974
ListSingletonContainer324
P2628
P2988
P4411
P3495
P170
P2582
THR
Atom HB2 of residue 43
Atom HD11 of residue 43
P2973
Atom CD2 of residue 43
P2629
P3343
Atom CA of residue 46
P7836
Atom H of residue 43
Atom HA of residue 32
P2137
P3
P2350
Covariance1DFunction 26
P5314
Restraint 60
P3789
P144
P6843
P7296
P4637
P4189
P0
P5249
P6854
P7346
P4731
ALA
P6342
P6136
P6817
P4353
ListSingletonContainer576
P6840
P6122
P6328
P7293
P3107
Atom H of residue 64
P160
Atom C of residue 42
Atom HG3 of residue 42
P1903
P7341
P26
P6911
P7025
P156
Atom CA of residue 22
P5087
P1359
P5965
P4
P8191
P5715
P6910
P13621
P3893
Atom NH1 of residue 42
P13329
P7567
P7016
P3498
P7798
P6745
P3299
P7269
P3462
P5534
Atom O of residue 2
P3293
P8116
P2578
P3740
P2916
P2156
P6910
P3468
ListSingletonContainer96
P2920
P6146
P1462
P4605
P305
P4335
P6799
P4317
P3281
P3260
Atom HG2 of residue 40
P299
P7234
Atom C of residue 27
P45
P3771
P2112
P143
P5899
P3559
P7286
P4
P6854
P9878
P2232
P8051
P6015
P4365
P6249
P3245
P115
P2663
P2919
P7724
Atom CD1 of residue 3
P150
P3682
Atom H of residue 51
P8039
P6429
Atom N of residue 91
P6003
P4353
P1331
P8034
ALA
P5998
P4347
P52
P2831
P4344
Model 148
P1
Atom H of residue 18
Atom CG of residue 37
P5149
P7229
P4614
P6225
Atom CA of residue 37
Atom HE21 of residue 41
P6666
P5347
P2389
P2
P4214
Atom HG2 of residue 11
P4659
Atom N of residue 42
ListSingletonContainer160
P7169
Atom C of residue 36
P3649
P7083
P1802
P7526
P1795
P5043
P4075
Covariance1DFunction 28
P6801
P3359
P2184
P3203
Atom CG of residue 54
P98
P6303
Model 287
P11215
Atom CZ of residue 73
P5913
P7587
P3191
Atom C of residue 35
P2620
Atom N of residue 74
P7681
Atom O of residue 64
P10400
P4578
Atom C of residue 53
ListSingletonContainer284
P7578
P3182
Atom H of residue 34
P6809
P1777
Atom C of residue 43
P3615
P5014
P1769
P2223
P6782
P1737
P7670
P128
Atom H of residue 48
Atom HG3 of residue 51
Atom HB3 of residue 39
Atom H of residue 41
P6173
Atom HZ1 of residue 33
P4550
P117
P4208
Atom CG of residue 33
P430
P2000
P4033
P5908
P3642
P1737
P4256
P4913
P7630
ASP
P4910
P7627
P5347
Atom CG2 of residue 9
P6579
P1930
P8442
P7132
Atom H of residue 20
GeneralizedGuinierPorodFunction 30
Atom HG3 of residue 31
Atom HG23 of residue 3
P4180
Atom HA of residue 31
Atom CE1 of residue 4
P7081
P4071
Atom CB of residue 31
P3388
P1796
P8546
P184
Atom HD12 of residue 30
P6273
P3279
P0
Atom CA of residue 63
P7853
P5308
P4861
P6242
Atom C of residue 2
Atom H of residue 30
P4480
P3088
P6092
P6283
Atom CA of residue 54
P7620
P6
P3087
P3407
P5752
Atom HZ1 of residue 29
P7851
P2352
P8515
P8449
P7569
P2036
Model 97
Atom HD2 of residue 74
P6202
P4119
Atom CA of residue 29
P8822
P2325
P4116
Atom CE of residue 1
P1749
P2245
P3581
P5865
Atom N of residue 29
ListSingletonContainer370
P5240
P1748
P8371
ListSingletonContainer216
P6152
P1768
P3358
P9685
P1747
Atom HB3 of residue 43
Atom HA of residue 28
P4172
P5783
Atom C of residue 34
P4826
P7544
Atom HZ3 of residue 27
P5850
P4161
Atom C of residue 5
P3483
P3486
Atom HD23 of residue 73
P11932
Restraint 126
P4344
Atom CA of residue 8
P3916
P2216
Atom HE22 of residue 49
P2300
Atom C of residue 41
P2010
P4930
Atom NH1 of residue 74
GLN
P1661
P4
P5848
P74
P8811
P4816
P6539
Atom HG13 of residue 26
P2287
P4070
P8451
P4340
P8563
Atom HA of residue 26
P6554
P61
P2581
Atom N of residue 61
P6528
P6016
Atom C of residue 26
ListSingletonContainer211
P3011
LYS
P8405
Covariance1DFunction 21
P3006
P5802
P5161
P4119
Atom CB of residue 40
P6972
P8447
P3004
P3879
P6607
P1614
P3886
P4453
P4839
P6861
P3164
P6113
P7788
P4358
P4286
Model 370
P4117
Atom ND2 of residue 25
P5
P8315
P8305
P5796
Atom CA of residue 41
P5563
P6528
P8268
P3075
P5360
P3000
P4552
ListSingletonContainer322
P3427
Atom HA of residue 57
P10145
Atom HG23 of residue 23
P7317
Atom C of residue 25
P5560
P6525
P5357
P4396
Atom HB3 of residue 48
Atom HG13 of residue 23
P2716
P4486
P3430
Atom HB2 of residue 48
P5766
P8418
Restraint 48
P2548
P3514
P4932
P3154
Atom HB2 of residue 71
P54
Atom HG2 of residue 34
Atom OE1 of residue 24
Atom H of residue 7
P8352
P2189
P5654
P3068
P4491
P2989
P1519
P8050
P6950
P6232
P4409
Atom CA of residue 72
P0
P3
P5967
P3430
P3928
P137
Atom N of residue 24
P5840
P1759
P3943
Atom HG2 of residue 38
P6438
P7370
P6045
P3027
ASP
P1651
Atom CD of residue 48
Atom O of residue 74
P4009
P1917
Atom C of residue 23
P2650
P7436
Atom HB2 of residue 73
P3995
Atom O of residue 37
P2
P2542
P5596
P2
P3974
P30
P5750
P1924
P3231
P160
P2065
P4297
P7684
P3002
P6293
P3299
P8297
P4840
P6229
P4640
P2530
P6019
Atom H of residue 66
P4342
P6031
P3390
P2066
P3100
Atom N of residue 22
Atom HD13 of residue 8
P13605
P7406
P1891
GeneralizedGuinierPorodFunction 39
P119
P7544
P6444
Atom CA of residue 48
P3379
Atom HG of residue 8
Atom O of residue 21
P6810
P4283
P2
P5140
P3964
P12746
P8246
P5678
P5636
ILE
P5138
Atom CG of residue 72
Atom HE3 of residue 29
P3962
P32
Atom H of residue 11
THR
Atom H of residue 36
P7397
P6888
P8289
P8516
P3003
P4426
P2643
Atom C of residue 44
P3213
P6506
P2
P5902
Atom HB3 of residue 34
P3977
P2876
ListSingletonContainer187
P6875
P6868
P5705
P5909
Atom C of residue 35
Atom HA of residue 19
P112
P3939
Atom CA of residue 19
Atom HG1 of residue 7
Atom CD of residue 34
THR
Atom CA of residue 33
Atom HD21 of residue 56
P3055
Multivariate Normal distribution 0
P7405
P1467
P136
Restraint 187
P7
Atom HG2 of residue 31
P5887
P3835
Atom HG13 of residue 17
P1452
P7365
P5673
Atom H of residue 28
Atom HD11 of residue 69
P5585
P3909
P5889
P3837
Atom OD2 of residue 32
Atom HD12 of residue 69
P5097
P6496
AngleSingletonScore2
P1
P3018
P4792
Atom H of residue 60
P4619
TYR
P1
Atom C of residue 17
ListSingletonContainer368
P7366
P6859
GaussianProcessInterpolation74
P2115
P5085
P7350
P7324
Atom CG1 of residue 5
P5868
Atom HB3 of residue 29
Atom CG of residue 16
P0
P6724
P8118
P5609
P86
P2845
P3946
Atom HD23 of residue 15
P6439
P489
P5972
P6359
P4767
Atom N of residue 92
P5490
Atom HB3 of residue 11
P5646
P2834
P3935
P3932
P2831
SingletonScore 8
Atom HD13 of residue 43
P6709
P8100
P1778
P7674
P1587
P6506
P6777
P12589
LYS
Atom CD of residue 27
P8024
P1795
Atom HG of residue 67
P5981
P7314
P5462
ListSingletonContainer570
P1775
P1
P8546
P5817
P3769
P7647
P4273
P7660
Atom CD2 of residue 73
P2978
P3691
Atom CG2 of residue 26
Atom CB of residue 38
P3351
P6436
Atom HB of residue 66
P2041
P3286
Atom OG1 of residue 12
P4919
P469
P4562
Atom N of residue 66
Atom HB3 of residue 29
P3743
Atom H of residue 13
P2864
P6581
Atom H of residue 56
Atom HA of residue 24
P4638
P5724
P5521
P2035
P3849
P7545
P4987
P1922
P5279
P3296
P123
P6471
P6677
Model 300
P3293
P6754
P4030
P8443
P4040
P6675
P3160
P177
Atom HG21 of residue 12
P8441
P6217
P3224
P4554
P7989
P4114
P13467
P8516
Atom OG1 of residue 12
Atom CB of residue 57
P1784
P5728
P2266
P1632
P86
Atom N of residue 15
P7859
P5314
P6245
P4864
Atom O of residue 12
P8124
P4149
P7597
P7133
P6415
P8435
P0
Atom C of residue 9
P41
P5821
P7294
P5478
P5443
P4529
P3827
P7523
Atom HG21 of residue 30
P7493
P3797
Restraint 37
P3218
P6211
P3867
P2766
SingletonConstraint 4
Atom H of residue 11
P4012
Model 281
P5560
P8006
P8566
P1778
P8574
P1376
P5525
P2526
P8492
P1975
UnaryFunction4
P1776
P6405
P3191
Atom CG of residue 4
P323
P1350
P8538
Atom N of residue 83
P4544
P2520
Model 153
Atom HG12 of residue 17
P1761
P2022
P2913
P1646
P4955
P4507
P2502
P7952
P1722
P7490
P3794
P142
P5586
P5931
P4158
P6642
ListSingletonContainer18
Atom OE1 of residue 34
P2896
P1
P6382
P5014
P3688
P55
P79
P6614
GaussianProcessInterpolationRestraint 46
Atom N of residue 9
P5504
Atom HD12 of residue 8
P5531
P66
P8526
Atom HD21 of residue 69
P4840
Atom HA of residue 1
P5543
P3831
P2730
P120
P7976
P8536
P1750
P5495
P3061
P6363
P2343
P8090
P7245
Model 242
Atom HG22 of residue 7
P1480
Atom HA of residue 12
P4627
P1727
P1988
P2872
Atom HB2 of residue 25
P6232
P4843
P8073
P7207
ListSingletonContainer251
Atom HB of residue 7
P3317
P84
P34
Atom OD2 of residue 21
P5738
P1951
Atom CD2 of residue 4
P6296
P1839
P1409
P6686
P2717
P3741
Atom C of residue 24
P8430
P3717
P2693
Atom CG of residue 24
Atom HZ2 of residue 6
P2331
P5730
P2081
P5725
P7198
Atom HB2 of residue 54
P6675
P2706
P3730
P7903
P5486
P3982
P7
Atom CE of residue 6
P7521
THR
P3110
P3698
P2674
P6631
P3674
P0
P6517
Atom CG2 of residue 66
Atom O of residue 42
P9729
P7114
P5012
Atom CG1 of residue 44
Atom HG12 of residue 3
P2628
Atom CA of residue 74
Atom HG22 of residue 9
Atom HB of residue 3
P6587
P4186
ListSingletonContainer413
P6643
Atom N of residue 6
P6639
P7025
P5428
P3958
P2399
Atom HD2 of residue 4
Atom HG2 of residue 16
P4926
P1686
P1424
P4567
P8150
P7050
P1932
P2961
P5307
P7504
P3093
Atom CG2 of residue 55
P5853
P1683
P3617
P6113
P5469
Atom CA of residue 30
P3556
P6640
Atom H of residue 4
P2421
Atom CZ of residue 4
P6625
P4977
Atom CA of residue 4
P4485
P4455
P5882
P3111
P5024
P4856
P4420
P0
P7857
P5312
P1869
Atom HG22 of residue 3
P1988
P1995
P5809
P1876
P7023
P1739
Atom HA of residue 41
P4573
P3
P7762
P1949
P2385
Atom H of residue 3
P4147
P8412
P4138
P2388
P5359
P4908
P8561
P5833
P5438
Atom N of residue 46
P3030
P4885
P5989
Atom HE1 of residue 45
Atom HE22 of residue 2
P7646
GaussianProcessInterpolation55
P1
P7071
P7929
P3553
Atom OE1 of residue 31
P3101
Atom NE2 of residue 2
Atom O of residue 61
P6552
P0
Atom CD of residue 2
P2065
P4866
Atom C of residue 105
P4430
Atom CG of residue 2
P2652
ListSingletonContainer349
P6318
Atom CD1 of residue 43
P13322
P7559
P8523
P2323
P5795
P4124
Atom SD of residue 1
P219
Atom CA of residue 6
P5286
Atom O of residue 1
P5932
P7821
P214
Atom C of residue 1
Atom H of residue 44
P8514
P0
P7738
P8179
P7699
P8140
Atom HH22 of residue 72
P1
P1510
P7427
P3986
P4216
P7373
P8325
P0
P5539
P7970
P4525
ListSingletonContainer415
P2827
P1581
P4601
P4107
P8417
P5676
P6640
P3125
P2
P5512
P1
P3498
P6503
P7018
P6300
Atom N of residue 48
P4388
P1908
P5273
P7992
Atom HG2 of residue 51
Atom CD1 of residue 23
P5446
P6144
P1995
P3
P392
P263
P1593
P1412
Model 383
P2344
P4823
P7091
P5460
Atom CB of residue 7
P5312
P3145
Atom C of residue 16
P6209
P2315
P5313
P0
P174
Atom HG3 of residue 62
P2697
P6260
ListSingletonContainer45
P2692
P3887
P7027
P5230
von Mises sufficient 10
P3925
Atom HB of residue 61
P4733
P5367
P4268
P4256
P4721
Atom HG2 of residue 40
P6986
P7188
P3458
P6900
von Mises sufficient 7
P7565
P2144
P1348
Atom CE of residue 1
Atom HD13 of residue 67
P3398
P8037
P6427
P6001
P4695
P4
P6763
P3751
P2066
P5141
P66
P2738
Atom HD22 of residue 56
P6718
P4434
P3260
P1938
P8031
P3655
P141
P12096
P3676
Restraint 131
P13028
P4207
Atom CD of residue 38
Atom CA of residue 77
P283
P4
P6876
P1196
GaussianProcessInterpolation38
von Mises sufficient 4
P275
P8064
Atom HE22 of residue 41
P3282
P5851
P3369
Atom N of residue 52
P3072
P13313
P12851
P7549
P3591
P5875
P2714
P4665
P2166
P6282
P14
P6296
Atom CA of residue 54
P7707
ListSingletonContainer10
P2356
P6705
P6279
P2
Atom CG of residue 52
P5473
Restraint 17
P1
P5057
Restraint 154
P4192
Atom CB of residue 26
P2690
P5346
Atom CB of residue 29
P1969
P7415
P1
P3920
P0
P4384
P196
P3787
Atom HA of residue 3
P1596
P7519
P1978
P67
P6542
Atom HG23 of residue 26
P6673
P3924
Atom CZ of residue 59
Atom ND2 of residue 25
P0
P7
P4837
P8254
P8101
P179
P6420
LYS
P4380
P13202
Atom HB of residue 61
P4455
P2999
P8060
P6960
P6242
P373
P3098
P7683
P2021
P0
Atom HB3 of residue 15
P3068
P4262
P4190
Model 360
P3731
P2114
P6736
Restraint 147
P5854
Atom CB of residue 5
P3015
P4789
P6322
Atom CD of residue 42
P0
ListSingletonContainer194
GeneralizedGuinierPorodFunction 15
P6851
P5688
Model 358
P4309
P7696
P2007
P7183
Atom HG23 of residue 36
P8079
P2755
P325
Atom CE of residue 33
P130
P5612
P11214
P5912
P6277
PairsRestraint 1
P2623
P7757
P1544
P5280
P2
Atom OE1 of residue 34
P3624
Atom HZ1 of residue 27
THR
P6745
Atom HH12 of residue 42
P5614
Atom HA3 of residue 76
P1554
P8529
Model 342
P7224
P4491
P4039
P61
P7557
SingletonConstraint 2
P5943
P7557
P6126
Atom HA of residue 70
P6650
P2681
P1969
P3946
P0
P3
P0
P2774
ListSingletonContainer515
P5773
Model 246
P3279
P5333
P8517
P28
P6445
P1550
P6252
P6666
P1364
P2549
P44
ILE
P2426
P5629
P7363
Model 388
P2694
P6452
P6957
Atom C of residue 36
P2546
Atom HD3 of residue 37
ListSingletonContainer202
P5389
Model 332
P5601
P12293
JeffreysRestraint_P1
P7885
P160
P1546
P10562
P5260
P5494
P6459
P7390
JeffreysRestraint_P1
P3525
P7298
P3856
P7742
P3854
P5686
P1531
P10563
P5261
P1526
Atom HB2 of residue 49
P6439
P5991
P3810
P1
P4121
P2459
Atom CA of residue 54
Atom H of residue 3
P3393
P7255
JeffreysRestraint_P0
Atom N of residue 11
P5111
P2215
P3
P104
P6470
Model 326
P7966
P2456
P274
Atom HA of residue 36
P2758
Atom HE22 of residue 40
P6825
P2127
P5837
P9823
P84
JeffreysRestraint_P1
P4530
ASN
JeffreysRestraint_P0
P7584
P3188
Atom CG of residue 41
P5089
P95
P12955
P4134
P6618
P12958
P4137
GLU
P5077
P1
P211
Model 373
P3
P5887
P2714
P11168
P250
Atom C of residue 31
MD 11
P4201
P1606
P159
P6783
ListSingletonContainer80
P3206
P5308
P73
P5842
P83
P2294
P4183
Atom HG2 of residue 31
P6261
P5260
P2781
Atom CZ of residue 59
ListSingletonContainer235
P2764
P96
P5307
Model 323
P10272
P1987
Atom CA of residue 27
P6992
P1710
P4444
Atom CB of residue 41
P1728
P6293
P2740
P6692
P9303
P4851
P8431
Atom NH1 of residue 54
P3175
P0
P3963
P7930
P5749
P3265
Atom N of residue 46
Atom OE1 of residue 2
P5750
P2285
P3256
P6179
P6687
P432
P6733
P3606
P6717
P6056
Atom HE22 of residue 49
P6
P6063
P16
P2215
P7800
P406
P4871
P1631
P49
P1801
P194
P8410
P1
P4057
Atom HD12 of residue 56
P5927
P6
P3551
P4058
P6453
P6977
P11
P8528
P7734
P4301
P5698
P11861
P3463
JeffreysRestraint_P1
P6609
Atom N of residue 45
P3036
P3409
P3260
Atom CB of residue 2
P3277
P4230
P8329
P6135
P1359
P2531
P5304
P2665
P8395
P1821
P5060
P2121
P5573
JeffreysRestraint_P1
P4845
JeffreysRestraint_P0
P5246
P131
P3912
P6523
PairScore 2
P1556
P5945
P6451
P480
P3045
P3262
P450
Atom HB3 of residue 63
P2739
P3840
Atom N of residue 25
P5389
P6768
P3258
P448
P4949
P8107
P444
P1624
P8503
P6272
P2363
P7990
P438
P2489
P4650
P436
Atom HD23 of residue 71
P8097
P7106
P6388
P435
P1762
P2023
P3607
P6735
P434
P7110
P4126
P1663
P6398
P433
P2550
P7179
P6139
P3215
P428
Atom O of residue 7
P8046
P6286
P3187
P2979
P422
P421
P1
Atom NE2 of residue 2
Atom N of residue 94
P4469
ListSingletonContainer26
Model 10
P418
P5027
P5042
P2
JeffreysRestraint_P1
P3613
P6109
P6262
P415
P147
P10243
P1494
P409
Atom HB3 of residue 48
P3179
P411
ClosePairContainer
P9268
P8398
P4
P402
P2286
P5674
P7498
P163
P7145
P2004
P2400
P7387
P3691
P4567
P8386
P5714
P397
P6253
P7994
P395
P11482
P383
P7881
P2598
P1554
P3614
P17
P377
P3123
P5664
P376
ListSingletonContainer396
P4684
P0
P23
P13187
P1823
P7300
P7744
P2604
P3865
Atom CA of residue 41
P4
P6401
P4361
P355
P6055
P197
P3579
P5321
P7361
P9168
P2814
P352
Atom H of residue 12
P342
ASP
P8271
P6374
P7753
P4236
P6959
P5192
P6445
P11369
P335
P3959
Atom C of residue 72
P8669
P4675
P7668
JeffreysRestraint_P0
P7878
P3377
P4413
P3
P4670
P332
P2610
P331
P4787
Atom HG2 of residue 48
P1396
Atom N of residue 4
P4592
P8255
P1328
P2509
P114
P2178
Model 113
P4637
P11332
P318
P2468
P9937
P19
P2154
P7808
P2978
P317
P4559
P316
P2098
P311
P2715
Atom CB of residue 91
P310
P6311
P6105
P8046
P6010
P5504
P1400
P3449
P5404
P3351
P2257
P5920
P303
Atom HD13 of residue 43
P8561
P2296
P2968
P6920
P2910
P7768
Atom N of residue 54
P122
P2688
P8239
P2942
P300
P4764
P6102
P5467
Atom HA of residue 61
P1788
P1381
Atom CE of residue 27
P5979
P2534
P7312
Atom HA of residue 41
P7774
P9068
P2123
P6019
P5483
GaussianProcessInterpolationRestraint 24
P2850
P2853
P13038
P1976
P288
P13100
P2782
P2783
P2540
P6723
P2192
P2444
P4457
Restraint 92
P5421
P273
P7821
P4257
P269
Atom C of residue 42
P4317
Atom CB of residue 33
P2872
P4295
P12972
P4151
P6635
Atom C of residue 54
P2627
P266
P7669
P4302
P1981
P134
P7580
P3184
P2
GLU
Atom HB2 of residue 34
P3247
P5816
P471
P2733
P7772
P127
P8541
P7933
Model 372
P2732
P258
P7911
P4479
P251
P2701
ListSingletonContainer230
P2400
P5362
P7461
P7665
Atom HA of residue 20
P4916
P2834
P7633
P1842
P8010
P3634
P7657
Atom CG1 of residue 5
P11147
P241
P2851
P4929
P4479
Atom HG12 of residue 61
P2666
P1327
P4992
P1744
P5127
P7016
P1733
Atom N of residue 37
ASP
P4176
P4452
P10254
P444
P10266
Atom C of residue 30
P1966
P7440
P4438
P6722
P1503
Atom HG12 of residue 26
P1506
P1651
P5225
P5814
Atom O of residue 3
P227
P7619
P7574
P6285
PHE
P7582
P220
P3384
P5729
P5278
P3152
P1764
ALA
P6959
P7667
P83
P3524
ListSingletonContainer347
Atom HB3 of residue 29
Atom C of residue 30
P3498
P4897
Atom OG1 of residue 22
P5338
P6600
P8519
P428
P3
Atom NH1 of residue 74
P11074
P210
P1625
P3223
P6654
Atom CB of residue 70
P204
Atom HD13 of residue 8
P7910
Model 338
P202
P8480
P6133
P6562
P6136
P199
P4069
Atom HG13 of residue 23
P8472
P5284
P6617
Atom HB3 of residue 24
P7857
Atom HB2 of residue 72
P3
P5736
Atom HE1 of residue 68
P192
P11027
P190
P4459
P4845
P1739
P7314
P1741
P5265
P3042
P12821
P7519
P7747
P4757
P8192
P8172
P183
P8376
P3478
P2
P8188
P5195
GeneralizedGuinierPorodFunction 4
P5872
P8430
P5598
P3121
P3481
P3137
P3851
P5856
P4154
P7590
P5176
Atom NE2 of residue 40
P174
P10987
P173
P3881
P5971
P5768
P8722
P4728
P4
Atom N of residue 76
P381
P6926
P8403
ListSingletonContainer197
Atom CE of residue 1
P167
P2089
P3112
P3095
P5149
P1643
P4259
Atom CG of residue 64
Atom HD13 of residue 67
P158
P8368
P4289
P4287
P8163
Atom C of residue 11
P5686
P2529
P5137
P8331
P1632
P6950
P1922
P6072
P7685
P2199
Atom HZ1 of residue 63
P6914
Atom H of residue 9
P3864
P2189
P148
P7756
Covariance1DFunction 44
Atom CB of residue 21
P7404
P5672
P3
P7381
P3026
P4800
P4329
P7716
P4604
Atom O of residue 68
P8629
P6013
GeneralizedGuinierPorodFunction 38
Atom HD22 of residue 60
P2525
P123
P6000
P3204
Atom HH21 of residue 74
JeffreysRestraint_P0
P1611
P5126
P7460
Atom N of residue 3
P4
P4174
Atom CD2 of residue 69
P1976
Atom OE1 of residue 64
P2535
P1922
P3654
Atom HD22 of residue 60
P4291
P7678
P2996
Atom CB of residue 65
P7385
P8084
P5607
P4161
P4155
P7591
P8032
P112
P1397
P1617
P3
P5939
P6445
P190
P6412
P0
P8375
P4579
P104
P4572
P1604
Atom CB of residue 58
P103
P5822
P7295
P12542
Model 282
Atom H of residue 57
P2472
Atom CB of residue 66
P8517
P5786
P4178
P2786
P3810
GaussianProcessInterpolation73
P3208
Atom N of residue 73
P4754
P7250
P2430
P1728
P79
P6153
P4109
Atom CA of residue 33
P4924
P7641
P6593
LYS
P5380
P6759
P6756
P5377
P6334
P2862
P4916
P6994
P1383
Atom HB2 of residue 1
P5107
P1714
ALA
P5462
P4349
P8449
P4790
P5754
P414
P1961
Model 79
P2895
P2398
P0
P5380
P2351
P1647
P7874
P1649
P4791
P5755
P11580
P1309
P3
P38
P2426
P5493
P4952
P67
P3159
Atom HZ1 of residue 11
P4
P6036
P4134
P7118
P1677
P6400
P10740
P59
P3064
P6366
P2346
P8507
P6737
P1608
P4052
P4564
Atom HB3 of residue 57
Atom ND2 of residue 103
ListSingletonContainer417
P273
VAL
P54
P2006
P5685
P7906
P1
P7568
P1346
P50
Atom OD1 of residue 18
Model 184
P6427
P4611
P40
P1967
Atom CA of residue 47
P34
P6544
ListSingletonContainer6
P5759
P6280
P6467
Atom N of residue 50
P7112
Atom HD11 of residue 50
P2762
Atom HG of residue 50
P5735
P15
P7422
P1586
Atom CA of residue 56
P5463
ILE
P7796
P7796
P12
Atom CA of residue 22
P3654
P2371
P3904
P4340
P5443
P1555
Atom NH2 of residue 54
P1562
P3902
P6526
P6014
P51
Atom CG2 of residue 26
P0
P3623
P2
P10573
P0
P3746
P2968
P6211
P1330
OptimizerState 6
P3124
P6820
Atom CA of residue 70
P5301
P2348
P10516
MD 18
P7384
P4769
P6174
P2642
P206
P3033
Atom OG1 of residue 47
P7850
P6361
P6062
P3865
Atom CA of residue 20
P3880
Atom HD12 of residue 8
P8099
P1690
P7002
Atom HG12 of residue 44
Atom O of residue 48
P2590
P5217
P5856
SER
P2882
P4656
P1828
P4128
Atom CA of residue 14
Atom O of residue 30
P4205
P3753
P1
P6951
P6374
P7308
P7293
P128
P12175
P0
P182
P5201
Atom C of residue 45
P3039
P5550
MD 14
P4146
P5037
P7582
Atom O of residue 14
ListSingletonContainer260
P50
Atom CA of residue 62
P2156
P7553
Atom HD21 of residue 8
P494
P4277
Atom CG of residue 51
P3691
P155
Atom OD1 of residue 52
PRO
P107
P4111
P2778
Atom N of residue 54
ListSingletonContainer84
P12999
P4178
P6662
Model 126
P4467
P2
P5109
GLY
P487
P49
ASP
P486
P9908
P5458
P2423
P2907
P6859
P484
P5842
P8380
P481
P4585
P1365
P6719
P6293
Atom HA2 of residue 53
P5464
P477
P3349
P2
P6805
P6688
P1
P6262
P2160
P7139
P467
P5886
Atom HG1 of residue 14
P466
P5010
P465
P7644
Atom HA of residue 51
P7032
P460
ListSingletonContainer70
Atom H of residue 31
P459
Atom CA of residue 11
P5973
Atom HG21 of residue 23
P1680
P7609
Atom CB of residue 7
Atom CG of residue 37
P3275
P8459
P99
P2133
P5000
P3283
Atom CD of residue 31
P3298
P4965
P5052
P6648
P5310
P3184
P12001
P4
P445
P3853
P6203
P7363
Model 319
P6201
P1794
P7436
P4452
P6979
P1662
P92
P441
P6993
ILE
Atom C of residue 5
P4854
Atom HG12 of residue 44
P4418
P124
P5806
P8514
P3250
P99
P4143
P5352
Covariance1DFunction 51
P10214
P427
P6720
P1
P2122
P425
Atom HA of residue 74
P6173
P2730
P7437
P7878
P5401
P2705
P5277
P3575
P3151
Atom C of residue 24
P5759
P5261
P4923
P2225
Atom CA of residue 12
P1731
ScoreState 21
Atom HG13 of residue 36
Atom CG of residue 114
Atom CZ of residue 4
P2313
Atom HD11 of residue 13
P8475
P66
P6541
P3978
P62
P3096
MonteCarlo0
P1768
P3457
P10172
P7797
P1770
P2744
P7874
P8087
P4523
P2591
P2582
P4514
P7849
P3458
P1356
P1
P6463
Atom HG3 of residue 49
P1347
P2100
P0
P4050
P4845
P7423
P6764
P6535
P6109
P4560
P4409
Model 243
P1687
P1676
P5198
P7759
P7295
P4819
P7747
P5246
P6579
P8124
P0
P6088
P10115
P1835
P385
P189
P3402
P6572
P1715
P3844
P3118
Atom NZ of residue 48
P5286
Atom CG of residue 74
P8479
P81
P5500
Model 355
P8283
Atom CD1 of residue 30
P2440
Atom CB of residue 66
P3280
P375
Model 73
P3395
P7733
P2
P3104
P4281
P6701
P0
P6452
Atom C of residue 71
P3990
P7431
Atom HA of residue 61
P2670
P7260
Atom HB2 of residue 8
LEU
P6959
P2612
P7246
THR
P4551
THR
P127
P360
ListSingletonContainer191
P1799
P1811
P4841
P5047
P5560
P3354
P3009
Atom CG2 of residue 3
P3273
P4755
P5612
P6717
P8111
Atom HE3 of residue 29
P5632
P2115
P201
Atom CD2 of residue 59
P4594
P354
P3257
P351
ListSingletonContainer29
Atom HD22 of residue 43
P2554
Atom C of residue 40
Atom CE of residue 29
P2822
P3923
Atom C of residue 69
P3696
P4734
P2127
P350
P1719
P4741
P1713
Restraint 111
P3246
P5950
Atom CG of residue 27
P4750
Restraint 3
P4713
P343
P1597
P342
P1377
P2163
P4581
P4632
Atom O of residue 74
Atom N of residue 26
P5807
Atom CB of residue 15
P5845
P7318
P7301
P2545
P5795
P5592
P7
Atom HB1 of residue 28
THR
P8190
P3663
P4701
P336
GaussianProcessInterpolationRestraint 35
Atom CB of residue 32
Atom CB of residue 8
Atom HA2 of residue 35
P1
P279
P8170
P5420
Atom O of residue 29
P5872
P2937
Atom NZ of residue 29
P195
Atom HA of residue 24
Atom HG21 of residue 55
P4079
P1741
P85
P8117
P7510
P7233
P4975
P1335
P82
P5755
P8487
P8490
ListSingletonContainer128
P4668
P322
P4541
P3654
Model 103
P2904
GaussianProcessInterpolationRestraint 29
P6488
P174
P2910
P4066
Atom HA of residue 43
P4962
P2490
P8002
P7576
P3237
P2154
P5090
Atom HD2 of residue 42
P3601
P7047
P1874
P309
P4562
JeffreysRestraint_P0
P4532
P5422
P2457
P5931
Atom CA of residue 18
P12947
P4126
P6610
P3063
P6365
P7583
P1360
P8092
P4937
P2467
P5514
P1615
P2868
Atom HB2 of residue 69
Atom HD11 of residue 69
P4842
P6231
P6228
P4839
P4642
P1473
P7726
P5906
P5737
P7208
P3130
P6577
P2
Atom HG3 of residue 6
P1847
P7543
P5893
P3282
P6310
P6276
P2373
P8459
P2844
Atom CZ2 of residue 28
P288
P4115
Atom ND1 of residue 68
P4000
P4942
P7932
P281
P4500
P3599
P6095
P3083
ListSingletonContainer110
P7544
ASP
P277
P2148
P1971
P7417
P7397
P7841
P5508
P4955
Atom HG of residue 57
P1920
P2260
P3961
P7512
P1915
P4622
P4471
Atom N of residue 67
P3971
P5392
Model 142
Atom HA of residue 16
P3955
P7980
P268
P5680
GeneralizedGuinierPorodFunction 35
Atom CB of residue 33
ListSingletonContainer405
P3059
P7896
P5270
P2775
P3056
P7017
Atom CD of residue 37
P266
P7837
P7119
P3933
P4887
P8529
P3146
P1999
P6244
P255
P3563
P3933
GeneralizedGuinierPorodFunction 10
Atom HB3 of residue 64
P7961
P6932
P261
Atom HB2 of residue 50
P3
P2757
P1
P6341
P4596
P4445
ListSingletonContainer483
P3038
P6999
P6281
P7885
P2602
P2593
P4525
Atom HA2 of residue 35
P1535
P253
P3
P3983
P252
P3065
P3947
P7093
P5674
P4573
P4422
P1887
P3015
Atom HB3 of residue 34
P6457
P4491
P247
P3008
P8069
P6969
P6251
P3450
Model 68
P246
P7777
P10585
P1
P243
P6452
P4485
P6155
P2978
P4815
P6221
Atom HA of residue 59
P7802
P4873
P5189
P12764
P8263
P5989
Atom OE2 of residue 24
P8237
P2966
P8027
P6927
P6415
P7382
P1447
P8546
P4660
P2146
P7899
P1440
P7890
P4353
Atom HA of residue 45
P1342
Atom HD1 of residue 59
P3
Atom OE1 of residue 49
P2342
P1443
P4404
P212
P6968
P1470
P3524
P7847
P1880
P5264
P2969
P4392
P2625
Atom CA of residue 60
P2640
Atom CB of residue 57
P6421
P5909
Restraint 149
P197
P6456
P2520
P6966
P5257
Atom N of residue 41
P0
P5971
P3629
P2306
ListSingletonContainer185
P8135
P6099
P8134
P8292
P2198
P6098
P6190
GaussianProcessInterpolation57
P7298
P2544
P4567
P2868
P186
P2582
P1
P2936
Atom OD1 of residue 52
P185
P7690
MovedSingletonContainer1
P1433
P4992
P500
P1457
P5954
GeneralizedGuinierPorodFunction 64
P11755
P499
P7894
P2
P5951
P498
P5916
P5918
GaussianProcessInterpolationRestraint 36
P8253
P2484
P7354
P2974
P2035
P1836
P5217
P8290
P7257
P4307
P7694
Atom HD3 of residue 74
P7659
P1691
P10937
P5115
P5623
P494
P1369
P8254
P7760
P3285
P7883
P176
P1418
P2448
P493
P2263
P8050
P5511
Atom CD of residue 2
P4265
Atom CD of residue 6
P7778
P173
P6867
P490
P2832
P7246
P2059
P172
P171
Atom CE of residue 11
ASP
P7599
Atom CA of residue 16
P3280
Atom HE2 of residue 63
P7282
P4667
P6278
P6072
P7239
Atom C of residue 54
P123
P7670
P3111
P1815
P5039
P4806
P4634
Atom HD22 of residue 73
P2056
P2956
Atom CB of residue 24
P163
P4293
P3305
P470
P7241
P4626
P6237
P152
P4716
P5871
P6735
P2914
P2842
P2533
P2
P458
Atom NH1 of residue 54
P7068
P6676
P3161
P6229
P2069
P4248
P3592
P7530
P2817
P2857
P4280
P5949
P13055
P12957
P4136
P6620
P45
P7701
P7140
P8480
P126
P1792
P5287
P5733
P1775
P5809
P5093
Atom HA of residue 11
Atom HA2 of residue 47
P2717
P8470
P6602
P4190
P118
P1
P7541
Atom CD1 of residue 3
P0
P111
P7613
P4535
P2390
P0
P4918
P7635
P7604
P6639
P8438
P7525
P0
P1670
Atom C of residue 61
P8259
P5837
P46
P2682
P3270
P2068
P7625
P4
P4860
P4424
P4422
P2357
P228
Atom HG22 of residue 13
Atom CB of residue 17
Atom CG2 of residue 9
P7678
Restraint 7
P4126
P6955
Atom C of residue 58
P6632
Atom OD1 of residue 21
Atom N of residue 4
GeneralizedGuinierPorodFunction 41
Atom O of residue 74
P84
P6655
Atom HA of residue 24
P0
Atom H of residue 72
P5702
Atom O of residue 24
P1998
P1879
P1326
P1
P4002
Model 115
P1524
P7442
P4001
P2582
P8472
P5835
GaussianProcessInterpolationRestraint 38
P1461
P4675
P13205
P7897
P6223
P6944
Atom HA of residue 63
P193
P365
P5791
P5647
P363
P12806
P7504
P2510
P2996
Atom OD1 of residue 60
P1859
ListSingletonContainer382
P6131
P7328
P8455
P5924
P5729
P32
P5753
P5642
P5144
P2201
P3968
P7409
P5620
P8335
P1695
P5915
P8449
P1902
P21
Multivariate Normal distribution 9
ListSingletonContainer200
P156
P8140
P7864
P3874
P118
P7541
P6441
P17
P6967
P6434
P6862
P3489
P6462
P2068
P5258
P5546
P7675
P8349
P15
P334
P5470
P7080
P2983
GeneralizedGuinierPorodFunction 33
P7433
P80
P11
P5658
P7402
P7277
P6318
ListSingletonContainer184
Atom O of residue 18
GLN
P3410
P8
P7
P6867
P12670
Atom HD2 of residue 29
Restraint 4
P6
P5694
P6857
P6856
P12659
Atom CG of residue 29
P2
P5197
Atom CG1 of residue 70
P2458
MD 13
P11322
P2974
P315
P6294
P5583
P3907
P1
P6817
Atom N of residue 5
P7080
P4716
P3664
P3991
P3597
P6093
P3631
P2069
Atom CA of residue 34
P7520
P4538
P480
P2917
P1665
Atom HB2 of residue 11
P4691
P8035
P7609
P3198
P4605
ListSingletonContainer181
P2122
ModelScoringFunction17
P3360
Model 307
P3
P6118
Atom CE2 of residue 4
P6623
P5236
ListSingletonContainer268
P5036
P5233
P3290
P2116
P47
P2303
P6649
P7542
P408
P2206
P6546
P5833
P3518
P6099
P2656
P5653
Atom HG3 of residue 41
ModelScoringFunction14
P1686
MD 7
Atom HD12 of residue 43
P3350
P3245
P5814
P1346
P5069
Restraint 117
P6756
P5796
P3663
P3
P6265
P2347
P0
P52
P6229
P8465
P3627
P6123
P5479
Atom OD2 of residue 21
P167
P8048
Model 146
P7168
P2
P393
P4998
P3219
P5690
P2
P386
P2164
P6721
P2165
P4902
P7447
P7888
P1663
P0
P5411
P3096
P161
Atom OD2 of residue 21
PHE
P2157
P1532
P5098
Restraint 124
P0
P2184
P6595
P0
P3
P5162
P47
Atom HG2 of residue 38
P3
P3109
P8229
P6098
P2147
P2
P1682
P6590
P1649
P8238
P1495
P8
P3767
Atom N of residue 38
PRO
P3609
P5224
P2209
P5662
P1713
P2994
P6571
P2486
P1519
P5459
P4747
Atom O of residue 33
P5990
P2462
Atom CD of residue 2
P6467
P2935
P3007
P8287
P5675
Atom CG of residue 45
P5270
P8246
P6480
P8268
P2
P5470
Atom CB of residue 31
P1402
P1
P4568
Atom HB2 of residue 4
P3337
P485
P4953
Atom C of residue 31
P1400
P5
P4
P3
P5937
P97
P5920
P6426
P4937
P0
P2418
P4735
P8211
ListSingletonContainer569
P3005
P8066
P6966
P6248
Atom O of residue 33
P1942
P5
ListSingletonContainer561
P3579
P7757
P7039
P5535
P5332
P6497
P3691
P6049
P27
P3480
ListSingletonContainer559
P1337
P5503
P5416
P5213
ListSingletonContainer558
P5529
P5326
P186
P2914
P4337
GaussianProcessInterpolation20
P1830
P183
P6990
P3546
P2662
P80
P2579
P6461
P9996
P149
P6177
P5490
P6905
Atom O of residue 37
P149
P3888
Atom HB2 of residue 21
P3837
P6451
P6003
ListSingletonContainer470
P3661
P2335
P2651
P4421
P6814
P8193
P3365
Atom HG12 of residue 44
P6443
P5995
P2509
P5997
GaussianProcessInterpolation69
P172
P5767
P4226
P144
Atom CG2 of residue 36
P3870
Atom CD1 of residue 8
P2488
P19
P165
P1876
P6973
P2965
P5243
P5960
P1861
ListSingletonContainer545
P0
P7819
P8241
P7807
ListSingletonContainer34
P7777
P3807
P5430
P6391
P2537
P2927
P6441
P2458
P154
P6298
P4408
Atom HH21 of residue 54
P3294
Atom HB of residue 26
P2843
P3
ListSingletonContainer541
P2921
P4344
P5935
P3759
JeffreysRestraint_P0
P152
P7722
P7175
P7174
Atom NZ of residue 33
Atom O of residue 36
P3368
P3704
ListSingletonContainer539
P5158
P3576
P2258
Atom HB2 of residue 16
P3764
P2249
P2908
P2116
P13030
P7233
P1
P165
P142
P2096
Atom CG1 of residue 5
P6348
P6798
P3425
P6325
Multivariate Normal distribution 41
P5625
Atom HA of residue 51
P139
P5184
P2033
Model 104
P498
P1994
P4307
P3
Atom HB3 of residue 37
P5082
ListSingletonContainer532
Atom HG2 of residue 38
Atom HB3 of residue 43
P7997
P1778
P3854
P10825
Atom HB2 of residue 60
P8000
Atom HD22 of residue 60
P99
P13014
P4193
Atom HB2 of residue 37
P2404
P6332
Atom HA of residue 55
P129
P2260
P4556
P0
P2383
Atom H of residue 41
P0
P1667
P2375
P4967
P8125
P4971
P3707
P194
P5822
P4629
Atom NE2 of residue 40
P5546
Atom HD2 of residue 54
P73
P2916
P8017
P7591
P3664
P3325
P2722
Atom C of residue 17
P2802
Model 248
P106
P6758
Atom O of residue 38
P1698
P104
P2697
P2311
P5062
P7069
Atom HE1 of residue 68
P5033
P102
P6786
P2776
P3059
P2699
Atom HB3 of residue 37
P8285
Atom C of residue 28
P1873
P1681
P6651
P6180
Atom HD21 of residue 50
P98
ListSingletonContainer511
P5821
P5820
P2350
P4151
P52
P5335
P4156
P6166
P2723
ListSingletonContainer506
P1639
P2417
P2374
P7141
P4514
P7901
P0
P2040
P5342
P3235
P2602
P1862
Atom HE2 of residue 27
P14
Atom N of residue 28
P2681
P6856
ListSingletonContainer485
P3096
P6547
P67
P5748
P3448
TYR
P10163
P7788
P4853
P6147
P8265
P1
P5216
P1706
P4477
Atom CB of residue 3
P3458
Atom HB3 of residue 59
P5799
P7261
P3046
P2632
Atom H of residue 64
P3107
P8227
P6558
P2
Model 131
P2174
P5628
Atom H of residue 40
Atom HA of residue 4
P52
P4053
P4778
P3446
Atom HG3 of residue 40
P8438
P5183
P7887
P5272
P1873
P6605
P50
Atom CE of residue 48
Atom CB of residue 74
P3049
P9601
P0
P48
P1479
P229
P1665
P1439
P7652
P2170
P6076
Model 208
P7309
P2160
P3949
P4630
P13162
P4479
P3401
P6571
P2604
P5603
P1528
P44
P3836
P112
P6041
P3565
P2545
P6555
P8248
Model 28
P40
Atom HG11 of residue 17
P5770
P5053
P5646
P35
P4010
P5056
P5569
P2521
P7084
Linear1DFunction 1
ListSingletonContainer481
P5119
P3089
P6540
P4840
P3425
ListSingletonContainer480
P7424
P3
OptimizerState 0
P6007
P7390
P6870
P43
P2643
P1341
Atom CD2 of residue 8
P8220
P1484
P3539
P6447
P9994
P5999
P1907
ListSingletonContainer390
P1923
P3486
ListSingletonContainer475
P3915
P6502
P3049
P5334
P6415
P4375
P7876
P2270
P378
P5220
Atom CD1 of residue 8
P16
Atom HB2 of residue 21
P5287
P6620
Atom CG1 of residue 26
P2563
P8448
GeneralizedGuinierPorodFunction 40
P8061
P6961
P6164
P8357
ListSingletonContainer472
P6503
P5335
P4736
P360
P6424
P4384
Atom CA of residue 48
P102
P7747
P2244
P7029
P2605
P1318
P8345
P7012
Atom CA of residue 63
P6985
P1893
P6974
GLN
P7083
P2986
Atom HH of residue 59
P6443
P6
P7715
ListSingletonContainer468
Atom HG1 of residue 9
P6
P6810
P12613
Atom C of residue 44
P8287
P2430
P5909
JeffreysRestraint_P1
P4286
P7673
P2991
P1333
P4303
P3267
P2816
ListSingletonContainer465
P7279
P8257
Atom HD11 of residue 8
P1352
P5608
Atom CA of residue 62
Atom CG1 of residue 30
P81
P2412
P476
P5460
Model 400
P2802
P158
P2661
P7722
P8050
P6014
P8
P2784
P287
P2473
Atom CG of residue 96
P4489
P4350
ListSingletonContainer464
P6601
MD 2
P1895
P9387
P1465
P6356
P8083
P6597
ListSingletonContainer462
P5606
P8410
P5885
Atom O of residue 51
P2940
P4583
P1358
Atom HH12 of residue 42
P5600
Atom HA of residue 3
Atom H of residue 66
Restraint 76
P8
Atom HG2 of residue 18
P8350
P2605
P7214
P6578
P1
P6780
ListSingletonContainer461
P8268
Atom CA of residue 30
Atom HB2 of residue 25
P5948
P2505
P7281
P5599
P108
P2473
P100
Restraint 38
Atom HZ1 of residue 27
P7430
Atom O of residue 65
P13254
P7429
P1890
Atom HA of residue 4
P384
P3041
P7002
P6284
P4547
P7985
P3
P4
P6240
Atom HB2 of residue 65
P2
P7965
P2753
P3034
P6277
P6623
P7009
P2900
P1506
P2732
P7436
P7336
P3894
Model 324
P7416
ListSingletonContainer457
P1355
P4852
P4496
P7380
P170
P7402
P4861
P4505
P3887
P6412
P4372
P3554
Atom HD13 of residue 30
P4422
Atom CE2 of residue 45
ListSingletonContainer449
P3380
P371
P1512
P3569
P2294
P8253
P0
P1
ListSingletonContainer271
P4650
P2219
P7880
P2426
P2910
P6862
P2271
P2078
P6835
P6510
P1396
P6285
Atom HG22 of residue 5
P2169
P6069
Model 166
P6138
P5303
P2512
GaussianProcessInterpolationRestraint 37
P2644
P2641
P1
Atom HD21 of residue 15
P3826
ListSingletonContainer443
P57
P6404
P2483
P4
P7091
P1803
P4572
Model 288
P7221
P3066
P4887
Atom HG23 of residue 66
Atom HD2 of residue 68
P6543
Restraint 101
P2883
ListSingletonContainer440
P6728
P1464
P2432
P3275
P11289
P301
P3001
P2
P6011
P2481
P4954
P200
P4946
P7220
P8552
P5459
Atom HB3 of residue 56
P8025
P8263
P475
P191
P8052
P5575
P8547
P2414
P5818
P5824
P2540
P4111
P7551
P5010
P1367
P4991
P8149
P189
Atom HD3 of residue 29
ListSingletonContainer432
P5870
ListSingletonContainer431
P2780
P8539
P4545
Atom HB3 of residue 64
P6360
P8532
P1664
Atom HB3 of residue 25
P4
P6651
P7653
P1918
P2371
P5774
P7600
P2812
P1
P4973
P8131
P6358
P7691
P136
P7139
P4155
P2914
P8541
ListSingletonContainer426
P2019
P5552
P321
Atom CA of residue 44
P1899
P8025
P1
P7713
P1710
P5053
ScoreState 14
P3621
P5732
P4051
P8465
P2338
P5532
P8453
P5722
P5866
P1630
P5845
Atom HB2 of residue 56
P2871
P8121
P8224
P7124
P4140
P6412
P2869
P4643
P8119
P6410
P11622
P3246
P1846
P1416
P1975
P10726
P53
P2785
P3
Atom CG of residue 8
P4645
P4635
P3163
P4568
P1350
P1599
P8054
P1837
P1407
P6227
P12028
JeffreysRestraint_P0
P8445
P6198
P1954
Atom HG21 of residue 23
P4620
P4610
P2457
Atom CA of residue 7
P8416
P1968
P5318
P1369
P2132
Atom C of residue 48
P345
P7248
P4825
P8212
GaussianProcessInterpolationRestraint 9
P150
THR
P97
P25
P5002
P2836
Atom HB of residue 22
ListSingletonContainer411
P4865
P4429
P8320
GeneralizedGuinierPorodFunction 24
P6178
P1314
P6638
P2387
P1684
P4148
P4045
P4
P7401
P4858
P4044
P1930
P2334
P4133
P5396
Atom HG2 of residue 1
P4909
P8110
P272
P1548
P140
P218
P3672
P152
ListSingletonContainer407
P6595
P2393
Atom CB of residue 17
P7982
P172
Atom CE of residue 29
P8291
P6157
P11958
P3
P4396
P2387
P7999
Atom N of residue 15
Atom C of residue 20
P4159
Model 60
P3670
P5694
P2334
P3950
P6360
P1
P5697
P1501
P1514
Multivariate Normal distribution 27
P5836
P6227
P3550
P3673
ListSingletonContainer399
P6220
P2749
P379
Atom CG of residue 38
P1597
P5668
P8208
P3603
P116
Linear1DFunction 23
P7917
Atom H of residue 26
P4851
ScoreState 10
P3489
P2382
P4771
P4323
P7040
P8277
ListSingletonContainer393
P3568
P1316
P4369
P1820
ListSingletonContainer392
P6037
P2589
P3471
P2366
P8330
P10043
P2587
P3469
P6038
UnaryFunction13
P104
GLN
P6906
P6188
P2410
P2231
P6988
P2246
P7004
P4852
Atom HG1 of residue 9
P1513
P2295
P6525
P1410
P1880
P100
P1844
P6888
Atom HA of residue 5
P7380
P4765
P6170
Atom C of residue 50
P7870
P99
P98
P2257
P5469
Atom H of residue 39
P88
P1890
P6883
P3510
Atom H of residue 75
Atom CD1 of residue 71
Atom HH21 of residue 42
Model 161
P2967
P2623
Atom H of residue 40
P8131
P5979
ListSingletonContainer381
P8404
P5990
P5543
P84
P47
P3
P2
P1809
P7747
P4362
ListSingletonContainer377
P5831
P7304
P0
P5595
P6419
P7777
P4213
P6183
P7574
P3178
P7148
P6182
P7573
P3177
P6837
P36
P3077
P8459
P6893
P72
P7254
P5054
P0
P7659
P4194
P69
P2
P5869
Model 379
P4
P7878
P4446
P237
P4021
P1915
P7386
P4771
P6176
P7011
P7392
Atom CG of residue 21
GLU
P7784
P2291
P6000
P3450
P2998
P1
P1564
P1752
Atom C of residue 18
P4717
P2090
P7720
P53
P8029
P1454
P5993
P6224
P4976
Atom HB3 of residue 52
P5984
P0
P3370
P3706
ListSingletonContainer159
P3212
ListSingletonContainer69
Atom C of residue 10
P2653
P7714
P2764
P7582
P3186
P1577
Atom HG3 of residue 37
P3
P5345
ScoreState 12
P12192
Atom O of residue 42
P5788
P5071
P7143
P7774
P4210
P1740
P2700
Atom OD2 of residue 32
P31
P6892
P2320
P6231
P1
P3032
P6993
P6275
P387
P7889
P3
P3491
Atom HD12 of residue 61
Atom CD of residue 74
P6567
P6141
P7087
P5852
P3386
Model 47
Atom N of residue 49
P1740
P392
P6507
P5995
P3944
P5
P1839
P4073
P6010
Atom HA of residue 39
P8442
P8318
PRO
Model 286
P5891
P3839
P199
P4297
Atom CG of residue 93
Multivariate Normal distribution 24
P6403
P293
P7735
P7415
P4104
P7856
Atom HB2 of residue 2
P104
P4124
Restraint 89
P5272
P3
P7368
P5464
P7797
P5687
P5691
P11507
P3142
P2673
P6625
P3
P3045
P1891
P6670
P7882
P2599
P5398
P2430
UnaryFunction10
P5904
P4284
P8340
P2232
P8160
P5683
P3428
P20
P4330
P11037
P8384
Atom CG2 of residue 7
P1
P4290
P2729
P2865
P3
P2556
P1912
P4868
P7413
P1915
P6449
P179
P5775
Atom HE22 of residue 41
P7962
P4853
P4497
P4
Atom CD of residue 40
P1
P4822
P7307
Atom H of residue 15
P7937
P4472
P7916
P4098
P2964
P6207
P8525
P133
P6160
P5
P5281
P1898
P3033
P2673
P4494
P158
P6187
P4703
P346
ListSingletonContainer43
P4
P2937
P6386
P3383
P159
P2679
Atom HE1 of residue 45
P2935
P6384
P3381
ListSingletonContainer313
P7354
P2668
Model 11
P7896
P4431
P2519
P1622
P6920
P3547
P5243
PairPredicate 3
P1322
P2634
P2994
P4417
P2650
P4614
P5568
P2340
P7
P2180
Atom SG of residue 64
Restraint 24
P7766
P7307
Atom HA of residue 7
P148
P1499
P7362
P4747
P6152
P3817
P2616
P7831
P8763
Atom N of residue 1
P4769
P2280
Atom H of residue 22
P5738
Restraint 97
P3793
P6845
P6333
Atom CB of residue 28
P7925
P0
ListSingletonContainer305
P2964
P4387
ListSingletonContainer303
P2735
P5321
P4152
P7198
P3
P6291
P93
P3297
P3299
Atom N of residue 76
Atom HB3 of residue 64
Covariance1DFunction 90
GLY
P7380
P5671
P6896
P1570
Atom HG of residue 56
P2756
P1791
P5510
P2864
P5490
Atom HD2 of residue 63
P7346
P7129
P3032
P1830
P6487
P3041
P3487
P118
P3282
P3276
Atom CA of residue 56
P7250
ListSingletonContainer297
P2911
P4334
P2551
Atom HG2 of residue 31
P4759
P1701
P6335
P196
P5774
P4299
P7737
P7938
P6468
P185
P7307
P3194
Model 38
Atom CB of residue 7
Atom HH11 of residue 74
P8205
P2660
P7721
P2021
Atom HG12 of residue 23
P7994
P3857
P7553
P1417
P7239
P4624
P6235
Model 50
P5151
P4
P2472
P7128
P2150
P0
P2654
Atom OD1 of residue 77
P7715
P2141
P2189
P3379
P12988
P4167
P6651
Linear1DFunction 27
P4527
P5976
P7703
Atom CD of residue 33
P4757
P2317
Atom CD1 of residue 17
P400
P1966
GaussianProcessInterpolation78
P1885
P1673
P8209
P314
P2344
P2879
P4653
P4
P2
P2503
P5746
Atom H of residue 42
P8112
P7672
P5227
P0
P5713
P8300
P2466
P4788
P5570
Atom C of residue 28
P7904
P7895
P256
P1773
P2374
P5572
Atom HA of residue 36
P4103
P5487
P5827
P9316
P4864
P5757
P1379
P8411
P3256
Atom HE2 of residue 1
P7054
P3727
P2533
P2610
P5179
P3502
Atom CB of residue 48
P5970
P163
P4280
Atom C of residue 36
P3809
P5651
P9479
P1551
Atom CB of residue 32
P3803
P7681
P5841
P0
Atom CB of residue 62
Atom C of residue 46
P4432
ListSingletonContainer47
P2227
P6556
Atom C of residue 52
P358
Atom CB of residue 52
P7888
P3606
P5890
P5230
Restraint 109
P1
P1482
P5576
P4806
P8168
P12558
P8510
P8093
Model 78
P6099
P6087
ListSingletonContainer252
P94
P8011
P3635
P1927
P133
P6915
P8490
Atom HA of residue 31
P108
Atom C of residue 62
P5524
P3618
P6114
P5470
P2944
P4367
Model 163
P1349
P2937
P4360
P4378
P3760
P200
P1419
P5949
ListSingletonContainer265
P5709
P5506
P4910
P7896
Multivariate Normal distribution 11
Model 329
P3
P0
Atom CD1 of residue 4
P4396
P3182
P1705
P5271
P3627
ListSingletonContainer240
P77
P5080
P5958
P8246
P4298
P5695
LEU
P2956
Model 158
P7828
P49
Atom CG of residue 32
P4031
P8444
GeneralizedGuinierPorodFunction 12
Atom HD2 of residue 19
P3286
P2707
P7121
P2379
P7767
Atom O of residue 54
Atom HA of residue 11
Atom CA of residue 75
von Mises sufficient 8
P6080
P3877
P4541
Atom CD of residue 48
P7053
P1767
Atom O of residue 68
P3329
P3157
P3326
P1759
P8009
GaussianProcessInterpolation37
GLY
P5492
Restraint 140
P7983
P3607
Atom NH1 of residue 72
P5525
P3667
P4546
P7124
ListSingletonContainer232
P4044
LEU
P7142
P4209
P7519
P34
ListSingletonContainer384
P3151
P8372
P6793
Atom CG of residue 31
Atom O of residue 10
P6081
Multivariate Normal distribution 32
P1388
P5108
Atom H of residue 32
P3301
P4255
P1921
P4108
P1527
P2890
P0
Atom CA of residue 4
P0
P2762
P2756
P4899
P7616
P5163
P7
P4336
P7772
P7496
P5319
P4893
P15
P4212
P5745
ListSingletonContainer195
P8715
P4721
Model 365
P125
P7412
P5361
P7583
P6627
P5909
ListSingletonContainer218
P4179
Atom HB2 of residue 28
P167
P1329
P11077
Atom OG1 of residue 9
P7806
Atom ND2 of residue 27
P4376
P2308
1G6J_MODEL1.pdb
Atom HZ of residue 4
P6236
P2764
P5808
P1641
P3206
P1604
P162
P7019
Atom CB of residue 50
P161
P1856
P2310
CYS
Model 151
P3254
P7536
P6548
P6122
P1719
P5603
GaussianProcessInterpolation18
P7089
P5232
Atom HD2 of residue 11
P5085
Atom CA of residue 20
P7157
P8495
P0
P5
Atom HA of residue 14
P4
P254
Linear1DFunction 17
P2010
Atom HG22 of residue 9
Atom NH2 of residue 42
P6466
P10001
P6
P3231
P2128
P8169
P8464
P2088
Atom HG11 of residue 70
P5773
P13250
P7945
P4556
GLU
P4405
Atom CE of residue 11
Atom HG2 of residue 62
P1913
P1755
P5280
Atom N of residue 58
P7321
Atom ND2 of residue 25
P6880
Atom HD21 of residue 60
P0
P4320
Atom HZ2 of residue 6
P6313
Atom C of residue 21
P3885
P4447
Atom NE of residue 72
P7487
P5813
P143
P7879
Atom HD23 of residue 56
P7307
Atom CB of residue 38
P142
Atom HB3 of residue 64
P2
Atom N of residue 4
P0
P5870
P8429
P6979
P7250
P4827
P8214
Atom C of residue 8
P1938
P132
P8404
P6413
Model 149
P7989
P0
P3093
P1804
P6544
P1878
P3248
P4845
P7055
P3537
Atom C of residue 18
P5493
P6458
P8695
P4701
P2209
P3074
P3355
P1786
P6525
P2194
P8358
P7430
P4270
P8119
P4294
P8168
P1531
P5691
Atom HZ3 of residue 33
P3368
P110
P1831
P6994
P6889
P3516
P2901
P7304
P200
P8364
P6559
P6949
Atom HD3 of residue 6
P6936
Atom HG1 of residue 12
P5169
P3492
P5096
P5974
ListSingletonContainer37
P3391
Restraint 122
P3937
P2167
Atom C of residue 71
P5887
Atom HZ3 of residue 33
P8332
P3110
P1712
P5907
P472
P96
P6580
P4303
P7690
P0
P5558
P6196
P8469
ListSingletonContainer175
P3952
P3259
P7074
P7932
P3556
P8542
P7612
P6936
P5554
P1630
P5114
P0
P3568
P3371
P2389
P5865
Atom HE2 of residue 4
P6297
P12241
P0
P89
P90
P5214
P6178
P8759
P8549
P4765
Atom H of residue 29
SingletonConstraint 5
P7175
P5836
P13513
P12611
P7309
P4571
ListSingletonContainer132
P6225
Atom H of residue 12
P8064
P6241
Atom O of residue 36
P2800
P4273
Atom HD13 of residue 36
P127
P2656
P7717
P3
P5112
ListSingletonContainer86
P5152
P7867
Atom O of residue 72
P4434
P3982
P5769
P0
P19
P3854
P4516
P13186
P7877
P166
P5544
P6511
P3058
P3376
P55
P2486
Atom HG1 of residue 14
P4479
P1761
P58
P1
P83
P5316
P7829
P4159
P4999
P4104
P453
P7716
P2747
P8290
P5678
ListSingletonContainer157
P0
P9900
P5450
P9876
P46
Atom HD1 of residue 45
P5765
P4224
ListSingletonContainer358
P2032
P2394
P4988
P8146
P3646
P45
P7601
Atom HB3 of residue 59
P4646
P4039
P0
P2234
P5035
P1
P3304
Restraint 15
Atom CD of residue 48
P6586
P4094
ListSingletonContainer372
P7658
Atom CB of residue 41
P3
Atom HG13 of residue 26
P2311
P2150
ScoreState 38
ListSingletonContainer391
P1
P7930
P1899
Atom CA of residue 29
P1572
P7256
P7167
P8026
P5555
P2497
P5549
P1740
GaussianProcessInterpolation47
P8153
P1
Atom HG22 of residue 7
P3132
P2968
P8029
P6929
P6417
P2176
P1507
P3553
P1387
Atom HE3 of residue 1
P6442
Atom HD3 of residue 33
P4484
P2554
P4475
P5108
Atom HG22 of residue 70
P2194
P8131
P8080
P5084
P2741
P4
P2145
P5531
P1871
P2410
P1441
P4573
P4394
P4669
P4654
P29
P285
P8032
P8604
P1404
P202
ListSingletonContainer142
P3281
P5850
P9836
P70
P3807
P7503
P2041
P8939
P2431
P11204
P5902
P7710
P4669
P2037
Atom C of residue 25
P12523
Atom CG of residue 25
ListSingletonContainer126
P4950
P2481
Atom HZ3 of residue 11
P2883
P2880
P2277
P2
P11521
P2687
P6639
Model 178
P3685
P186
P4060
P6723
P6963
Atom HZ1 of residue 33
P4999
P3220
P82
Linear1DFunction 24
P8371
P184
PairScore 1
P6548
P3103
P5719
P5516
P3230
P1986
P1841
P1411
P1
P3653
P176
P5721
P7327
P2325
P5518
P9328
GeneralizedGuinierPorodFunction 59
P174
P5719
P3560
P4901
P3227
P5512
Atom N of residue 20
P4504
P8448
P6682
P2713
P3737
Atom N of residue 102
P4609
P2449
P1707
P5449
P4074
P166
Atom C of residue 54
P7432
P5396
P4990
Atom HD2 of residue 59
P5539
P3631
P3133
P30
P7436
P4994
Atom N of residue 60
P6174
P5748
Atom N of residue 66
P1730
P6126
P3122
P4158
Atom HG13 of residue 30
P5430
P6768
Atom O of residue 1
P4339
P7726
P3044
P3754
P9932
P3
P1356
P2013
P2289
P5660
P404
P2254
P2007
P6765
P6653
P7039
P2010
P25
Atom HD12 of residue 61
P2
P0
P8256
Atom HE3 of residue 11
P8482
Atom CB of residue 43
P5201
P148
P3636
Restraint 135
P147
P5512
ListSingletonContainer101
P5230
P7168
P7624
P0
P2860
P7271
P134
P3600
P3289
P0
P5484
P5472
P6690
P12481
P8437
P3052
P5337
P5337
Linear1DFunction 42
P8305
P1716
P6217
P134
P5774
P5057
P6743
P2076
P3297
P7267
P2581
P6918
P1907
P3580
P6076
P5942
P2970
P3444
Atom HG23 of residue 17
P121
P7014
P1825
P5411
Atom HG3 of residue 1
P5913
Atom CE2 of residue 4
P5481
P13060
P7660
P2382
P457
P7938
P2425
ListSingletonContainer20
P13117
P7719
Atom N of residue 34
P1368
P3434
P5240
ScoreState 6
P3248
P7738
Atom HB2 of residue 38
P5167
P7263
P4648
P6259
P6053
P1413
P1649
P112
P2935
P2217
P5157
ListSingletonContainer87
P2793
P2418
P3402
P1789
P8538
P3319
P2228
P7295
Atom NE2 of residue 2
P1593
P5518
P5351
Atom HD3 of residue 54
P4141
P5032
ListSingletonContainer254
P2191
P1842
P151
P6956
Atom OE1 of residue 40
Atom H of residue 24
P5771
P4533
P8164
P7612
Atom O of residue 60
P96
P90
P7704
P4496
P5386
Linear1DFunction 8
P5063
Atom HD3 of residue 42
P6687
P5969
P2727
P7124
P7559
P43
P7886
P0
P1590
P3
P1865
P6392
P150
P0
P6199
P81
P6923
Atom HD12 of residue 3
Atom HB3 of residue 72
P5732
P6173
P7203
P78
P2290
Atom O of residue 58
P71
P169
P6128
P11607
P1832
P1402
P5398
GaussianProcessInterpolation45
P4884
P1582
P2302
P156
P5310
GLN
P5811
P6653
GeneralizedGuinierPorodFunction 19
P7426
P4985
P3523
P4487
Atom CG of residue 112
P4438
P8486
P3246
ListSingletonContainer63
P6329
Atom CZ of residue 4
ListSingletonContainer61
P4851
P4415
P87
P3254
P6979
P1700
P4721
P3216
P55
P6023
P2389
P8440
P7592
P2532
P4710
P4568
P2542
P1699
P1
P5878
P5442
ListSingletonContainer25
P7992
P2148
P321
P6486
P2948
Model 157
Atom HE2 of residue 27
ListSingletonContainer129
P4650
Atom H of residue 41
ListSingletonContainer81
P4682
Atom HE2 of residue 59
P1524
P1702
Model 88
P6438
P6643
P4479
P5765
P7
P2659
P6494
Model 231
P7874
P39
P6394
P5841
P3023
P4446
P2663
P1473
GeneralizedGuinierPorodFunction 7
Model 207
P5617
P2949
Atom CB of residue 8
P7789
P7363
Atom N of residue 32
P4443
P6166
P8535
P3392
P7406
P4791
P222
P6714
P6192
P3199
P5045
P3328
P3552
P6458
P4
P4940
P2470
Atom HG22 of residue 22
P5283
P5559
ListSingletonContainer39
P2115
P0
P3951
P2643
P5664
P1605
P6424
P5912
Atom HD2 of residue 19
Atom CB of residue 30
P1825
P7320
THR
P6089
P2618
P1507
P7810
P3803
Atom C of residue 56
Atom CG2 of residue 55
P2588
Atom CA of residue 42
Covariance1DFunction 73
P7279
P1
P2314
P4580
P8385
P2873
P6236
P5730
Atom C of residue 21
P2481
P7389
Atom HZ1 of residue 29
P6750
P3304
P7274
Restraint 95
P2429
Linear1DFunction 9
P3765
Atom N of residue 37
P7773
P4525
P0
P1371
P2722
P311
P7595
P4503
P2
P4711
ListSingletonContainer23
P5817
Atom HA of residue 30
P7290
P5546
P7261
P2
P6635
P4083
P5542
P0
P8361
P4100
P1358
P5508
Atom H of residue 59
P1996
P2717
P6421
P2004
P2496
P2923
P1888
P1
P6816
P2733
Atom HG13 of residue 17
P7165
ListSingletonContainer283
P2
P7554
P3160
Atom CG2 of residue 61
P5144
P4
P0
P7923
P0
P4051
P4915
Atom O of residue 7
P2704
P7118
P3615
P93
P7500
P4389
P1361
P4875
P8531
P5928
P6892
Atom O of residue 1
P5263
P3137
P1750
P2636
P8390
P4111
Atom CB of residue 107
P5769
P4380
P209
P6660
P4376
P3242
Model 37
Restraint 88
P4315
ScoreState 20
P6965
P2221
P3418
P7817
P2
P2724
P5646
P1
P6435
P4043
P7814
P4313
P7931
P4391
GLN
Atom HB2 of residue 71
P4466
P2979
P6222
P5262
UnaryFunction0
P1444
ListSingletonContainer144
P7762
Atom CD of residue 11
P5221
P8203
P5726
P1
P7005
P4280
ListSingletonContainer389
P7567
P6663
P8473
P3220
P76
P5766
Atom HE22 of residue 2
P4225
P2174
Atom H of residue 71
Atom H of residue 6
P1
P4341
P7728
P3046
P6405
P3942
Restraint 80
P91
P3302
P7272
P2586
P8589
P1390
P5540
P1525
Atom HE22 of residue 41
Restraint 13
P3006
P4780
P1
P6876
Atom HE2 of residue 29
P2132
P7
P1315
P4165
P2119
P1
Model 305
P2820
P5610
P4607
P4109
P6404
P11683
P1903
P1473
P1724
Atom CA of residue 69
Atom CB of residue 69
Atom CA of residue 6
P3358
Atom HB3 of residue 67
P7555
Atom CB of residue 33
P1354
P7063
P3325
Covariance1DFunction 29
P4946
P4499
P1
P2886
P4660
Atom O of residue 52
P7447
P3751
ScoreState 13
P2
Atom HD2 of residue 45
P5722
ListSingletonContainer510
P4428
Atom HG11 of residue 5
P5531
P0
P12291
Model 255
Atom HA of residue 63
P4850
P2339
Atom HB2 of residue 1
P7080
Atom CB of residue 74
Atom HB3 of residue 15
P6078
P7042
Atom NZ of residue 29
Atom HD3 of residue 63
P3019
P8080
P6980
P6262
P6993
P0
Atom HG21 of residue 7
P14
P1
P7059
P6687
P6261
Model 250
P6496
P5778
P3
Restraint 65
P1
P7939
P4474
P8536
GLY
GaussianProcessInterpolation58
P5908
P2906
P74
Model 249
P1912
P3563
P7431
Atom CD1 of residue 71
P7434
P6431
P7902
P6911
P6193
P5273
P2362
P2146
P1314
P0
P6111
P3
Atom H of residue 14
P7843
P159
P6790
P3417
P137
Atom CA of residue 38
Restraint 56
P1569
P7026
P1700
Atom HG22 of residue 23
Atom HD11 of residue 8
P5075
P2883
P4657
P5506
P2103
P2732
P3833
P44
P125
P3684
P6437
Model 237
P6343
GaussianProcessInterpolation11
P1
P77
P5241
P1350
P4801
Atom HG2 of residue 29
P7268
ListSingletonContainer365
P3427
P5772
P3278
P5902
Atom C of residue 19
P6321
P3327
GaussianProcessInterpolation27
P8534
P5605
Model 227
P4327
P7714
P3032
P5982
P3305
P3306
P8402
P3610
P1717
P4962
P1716
P7422
P7863
P5386
P6621
P7007
MolecularDynamicsMover3
P4754
P2770
P2247
P1
Chain A
P5875
P5873
P3821
P6332
P1358
P3766
P0
P1969
P4052
P8028
P5992
P148
P3878
PRO
P8295
P6523
P3070
P5355
JeffreysRestraint_P0
P5829
P6512
P3059
P5344
P2185
P4686
P7916
P3596
P0
P1378
P2091
P4805
JeffreysRestraint_P0
P6830
P3384
P218
Atom HE21 of residue 41
P3305
Atom HA of residue 37
P3
P32
P2907
P4330
P6808
P3435
P7333
Model 222
P2543
P6913
P3540
P3457
P2353
P6258
P2695
P8114
Atom CA of residue 8
P10745
P62
Atom O of residue 27
P4662
P4103
P5511
P6161
Atom H of residue 17
P4273
P199
P5293
P2654
P4528
P7889
P4424
P3368
Atom HG12 of residue 70
P2079
P5280
P3638
Atom HZ1 of residue 6
P1693
Atom CA of residue 44
P5195
P26
P3969
P1331
MonteCarlo1
P3823
P7271
P10086
Restraint 52
P4314
P7654
P5302
P2663
P0
Model 216
P5831
P1332
GeneralizedGuinierPorodFunction 18
P3922
P4928
P6093
P2650
P5647
P60
P7762
P2453
P1
P5274
P7116
P3019
Atom H of residue 61
P180
Model 215
P1644
P2139
P3381
P6823
Atom O of residue 69
P8190
P11021
P8369
P7750
P8402
P2942
P4043
P6387
P5277
ListSingletonContainer306
P2638
P2516
Multivariate Normal distribution 25
P2485
P4878
Atom HD23 of residue 67
P2486
P6530
P4209
P7645
P6037
P8066
P138
P6540
Model 236
P9535
P1603
P6176
Atom HG3 of residue 49
Atom N of residue 34
P2785
P5355
P6459
LEU
P5357
P4337
P7724
P3042
Atom HB2 of residue 1
Atom HD12 of residue 67
P6951
P1492
Atom HE2 of residue 6
Atom O of residue 30
Model 335
P1546
P7684
P7258
ListSingletonContainer32
P1462
P6710
P1514
P8152
P4
P3387
P131
Restraint 93
Atom O of residue 38
P3661
P4223
P2072
P4722
P11698
P1917
P1487
P1556
P1370
P4060
Atom CA of residue 20
P3989
P3608
P6104
Atom HE22 of residue 2
P3261
P5144
P7033
Atom O of residue 67
P8034
Atom H of residue 16
P4997
P2153
P3535
ListSingletonContainer58
P1898
P1468
P3278
P5866
P5416
Atom N of residue 29
Atom HD3 of residue 27
Atom HG23 of residue 12
P3
P7649
Atom CG of residue 8
P7033
Multivariate Normal distribution 44
P13107
P2790
P6226
Model 35
P2393
P6385
GeneralizedGuinierPorodFunction 60
P7761
P5220
P2700
P5725
P7434
P6224
P1978
P1489
P3629
P4073
P2907
P6244
P2083
P5291
P4264
P7798
P3
P6892
P3519
P3436
P2334
P4638
P3584
P7746
Atom NE2 of residue 68
P4911
P7628
P7096
P190
Atom CD of residue 11
P8301
P5568
P6733
P8839
Atom CD of residue 35
P6223
P7556
P0
P4733
P5246
P6832
P6225
P2622
P3
P1459
P3513
P10927
P0
P2949
Multivariate Normal distribution 31
P5050
P5563
Model 202
P7387
P4814
P6220
P1
P8283
P192
P2805
ListSingletonContainer520
P4649
P11416
P7879
P1408
Linear1DFunction 30
P6422
P2499
P4412
P4597
P5114
P1395
P20
P4
P5289
P3306
P5269
P6221
ListSingletonContainer68
ListSingletonContainer307
P5020
P1745
P7017
GaussianProcessInterpolationRestraint 4
P6643
P6212
P38
P45
P7322
Atom N of residue 44
P1462
P2491
P5113
Model 199
P4233
P5459
P6852
P1865
P5248
Model 312
P6412
P2139
P2
P4012
P1646
P8179
P7079
P8503
P9745
ListSingletonContainer145
Model 198
P5856
P3285
P7253
P7254
P7777
P8447
P1852
P9341
P1422
Atom H of residue 43
P1691
P1748
P8088
P7097
P6379
P402
Model 197
P0
Atom HA of residue 62
P1
P8049
Atom C of residue 66
P1
P6373
Atom HB2 of residue 51
P3399
P5903
P8169
P337
P6858
P1768
P5350
P2208
P3220
P3373
P2029
Atom C of residue 64
P2031
P5538
P456
P137
P4
P3351
P8378
P4129
P7565
P4449
P7682
P7937
P2
P4947
P4480
P5370
P5366
P4
P4931
P5432
Linear1DFunction 26
Atom O of residue 26
P7556
Atom CD1 of residue 8
P7102
ListSingletonContainer517
P3658
ScoreState 46
P5783
P4278
P1708
P7639
ListSingletonContainer229
P2685
Atom CG of residue 15
Atom HB of residue 13
Model 277
Atom OE1 of residue 41
P6747
P3301
P7271
P2585
Atom HD23 of residue 69
Atom CB of residue 70
P7362
P4179
P7615
P8056
P5171
GaussianProcessInterpolation49
P4186
P4034
P6621
P1936
P3189
P8022
Atom HE1 of residue 68
P7497
Atom CB of residue 54
P4
P7819
P8435
P3
P5471
P2252
ScoreState 45
P0
P188
P7763
P2258
P4038
P2745
P5776
P5211
P2265
P6855
Atom HA2 of residue 35
P1637
P1741
P8337
Atom CB of residue 15
P6813
P1654
P11035
P1316
P2706
P8195
P7755
P5719
Atom CG of residue 69
P9579
P2588
ListSingletonContainer136
P2346
P1433
Atom HA of residue 52
ListSingletonContainer312
P2223
P8388
Restraint 151
P2652
P4709
P2926
P1872
P5299
P5148
P8499
P4257
P133
P3901
P5862
P5863
P3811
P7689
P3
P6011
P335
P4730
P3251
P5935
P7606
P1699
P4732
ListSingletonContainer434
P8331
Restraint 29
Atom HA of residue 62
P3911
P7137
P2153
P3360
P1376
P57
P3689
P1377
Atom C of residue 123
P2243
P3634
P6644
Atom C of residue 53
P7697
P6433
P5032
P1785
P8531
P3
P8469
Restraint 35
GaussianProcessInterpolationRestraint 34
P4763
Multivariate Normal distribution 8
P2382
P4243
P2247
P259
P5370
P1582
P3644
P3936
ListSingletonContainer329
Atom CA of residue 75
P7871
P5003
P4369
Covariance1DFunction 50
P3770
P1808
ListSingletonContainer536
P11249
P284
Atom CD1 of residue 13
P3
P2876
P4299
P2591
P7782
P2
Atom CB of residue 55
P2289
P3148
P6212
P4867
P6460
Atom HB2 of residue 49
P7467
Model 31
P2544
P1928
P6927
P1
P1
P2606
P6496
P2374
P5744
P410
P7201
ListSingletonContainer278
P1666
P7594
P6549
Atom HB of residue 30
P0
P7407
P7
P6390
P1916
Atom CG of residue 51
P6493
Multivariate Normal distribution 37
P3825
Atom H of residue 3
P4474
P3351
P7949
P204
P1933
P7438
P6946
P5116
Model 3
P3587
Atom HD11 of residue 30
Atom CA of residue 75
P2879
Atom CD2 of residue 56
ListSingletonContainer298
Atom CB of residue 67
P2166
P1330
P1456
P6935
P0
P3735
P2197
P2311
Restraint 20
P5906
P3652
P2984
P8045
P6945
P6227
ListSingletonContainer49
P2876
P5066
P1679
P4706
P2385
P7144
P8480
Atom CG1 of residue 61
LYS
P7871
P234
P2645
P8326
P2745
P2205
P5003
P2803
P6755
P2156
Atom CB of residue 63
P1
P2369
Atom HB3 of residue 45
P6195
P0
P5075
Atom CD2 of residue 20
Model 156
Atom CD of residue 33
P1483
P2
P2858
P171
P2722
Atom HE2 of residue 1
P11275
Model 155
P4298
Atom OE2 of residue 51
P7037
P6376
P3
Atom CB of residue 115
P4919
P7636
P6139
Atom CA of residue 32
P30
P6967
P5200
JeffreysRestraint_P0
P5444
P1528
P3675
Atom H of residue 46
P8068
P7642
P1
P201
P5760
P3517
P4935
P3157
P390
P0
P5794
Atom H of residue 34
P3380
P5
P3364
P5747
P4060
P7218
P2386
P4808
P6208
P6885
Model 29
P3055
P7972
P3906
P4724
P386
P5911
P2
P2699
P4720
P0
P4685
P4112
P2132
P3200
P3375
P7080
P22
P5096
Atom HG21 of residue 17
P7657
P8561
Multivariate Normal distribution 47
P8537
P8033
P9046
P1817
P5997
GeneralizedGuinierPorodFunction 43
P2727
P7411
P6447
ListSingletonContainer323
P3810
P2
P2011
P8213
P8063
P5586
P7180
P4565
P0
P5791
P5074
P8498
P7146
P5492
P6457
P1481
P6880
P7372
P4757
P6162
MD 17
Atom CA of residue 37
P3367
P3
Restraint 127
P4533
P4023
P8190
P7090
P2689
P297
P2970
P8031
P6931
P13204
P2977
P2081
Atom HG23 of residue 12
P12071
P2340
P6912
P8496
P3241
P5810
P7138
JeffreysRestraint_P0
P7876
P4891
P2361
P7158
Atom OE1 of residue 16
P0
P6995
P97
P7886
P8549
P7589
P1979
Linear1DFunction 5
P136
P2467
P7045
P1
P1627
P2767
Atom HD21 of residue 15
P7830
P8496
P3300
P5258
Atom N of residue 73
P5255
Covariance1DFunction 67
P4427
P6183
P2215
P1395
GaussianProcessInterpolationRestraint 30
P5067
P6902
P6
P5738
Atom HH11 of residue 72
Atom HA of residue 36
P8389
P1748
P5684
P7713
P5672
Atom CD of residue 18
P8076
P7650
P1
P9539
P1607
P7441
P1
P3014
P4437
P8141
P2654
P7336
Atom HG13 of residue 44
P5831
ScoreState 42
P9946
P141
P6116
Atom CG2 of residue 14
P1829
P7088
Covariance1DFunction 93
P2925
P2564
P4348
P8142
P2143
P0
Atom CB of residue 28
P1
P7365
P8315
P5851
P2109
P6821
P6300
P3306
P2578
P7359
P2999
Atom O of residue 39
P4743
Atom CD of residue 27
Atom CB of residue 2
P8299
P0
P10594
P10
Restraint 87
P5027
P3807
P5422
P185
GaussianProcessInterpolation70
Model 44
P2936
P3382
P3397
P1801
P7536
P5420
ListSingletonContainer430
P2901
P6853
P3351
Atom C of residue 19
P5120
P6069
ListSingletonContainer21
P3008
P4782
ListSingletonContainer386
P6346
P4
P484
Atom N of residue 62
P109
P8577
P0
Atom HD22 of residue 71
P7800
Atom H of residue 1
P11075
P8420
P4626
P1393
P5159
P1634
Atom HD12 of residue 56
P6327
P5450
P4075
P2458
P2
P3
P8341
P3254
P5823
P7062
Restraint 16
P6956
Model 251
P6365
P4549
P4006
Atom HG13 of residue 44
Atom CB of residue 43
P4115
P69
Atom CG2 of residue 26
P6250
P3492
Atom OE1 of residue 51
P7120
Atom HD22 of residue 15
P7426
P7867
P2387
P5390
P1891
P2605
ListSingletonContainer214
P1529
P4148
P5039
P7216
P1864
P1672
P5559
P6946
P6
P6504
P3051
P5336
P1
P5105
P1973
P5327
P2368
P6319
GaussianProcessInterpolation67
Atom CB of residue 37
LYS
P2161
P2
P1335
P10805
P93
P7315
P2322
P2436
Restraint 27
P8211
Atom CG of residue 45
P6436
P3419
P7370
P2
P5
P2189
P6943
P2492
P5977
Atom H of residue 49
P2343
P7879
P7161
P3640
ListSingletonContainer466
P3344
P147
P128
P6064
P33
P125
P166
P4763
P1409
ListSingletonContainer439
Atom HG22 of residue 70
P6038
P3605
Atom CA of residue 13
P2364
P6716
P6290
Covariance1DFunction 83
P3107
P8452
P6886
P6885
P8302
Model 30
P7946
P8506
P1722
P1888
P1851
P4193
P8517
P4131
P1857
P2339
P5991
P3195
P6497
P3272
P7242
P4959
P5711
P1757
P7908
P4544
P5376
Atom HB3 of residue 54
P7559
Atom HD2 of residue 33
P5975
P6319
P6825
P2815
P2537
Model 112
P3409
P33
P2625
P7686
P8008
P3632
P8288
P4751
P2244
Atom HA of residue 73
P3466
P8749
P4755
P7021
P2544
P8329
P7831
P2561
P7479
Atom HB2 of residue 19
P5170
P7067
P3549
P3614
P6110
P5466
Atom HA of residue 20
P4051
P2597
P2951
P4374
P8191
P3734
P7612
P2140
Atom HG3 of residue 38
P5168
P1661
P3099
P289
P13383
P2
P328
P5015
P8279
P5528
GeneralizedGuinierPorodFunction 27
P6555
P183
P5947
P7105
Atom N of residue 11
P4917
ScoreState 30
P4904
P7621
P11708
P1694
P479
Atom HG3 of residue 1
P0
P4144
P6324
P2207
Atom CE of residue 13
P380
P3365
P10402
P4580
P8126
P4132
P1
P3621
P5731
P7
P7653
P130
P4282
P2657
P5679
P5637
P3963
P1619
P5073
P6248
Multivariate Normal distribution 40
P6246
P5754
P4278
P5675
P2286
Model 173
P7836
P7118
P442
P2333
Atom CB of residue 56
P3242
P6316
P3539
P11555
Covariance1DFunction 17
P2
P5645
P5620
Atom HG2 of residue 11
Atom CB of residue 71
Atom HB2 of residue 1
P3400
Multivariate Normal distribution 42
P4
P2118
P7749
P8134
P1576
P8663
P4669
P5117
P2180
P2
P5693
P2
P4696
Atom CD of residue 29
P6510
P1932
P7661
P3
P3317
Atom CA of residue 66
P7413
P2760
P7444
ListSingletonContainer328
Covariance1DFunction 75
P5135
P1707
Atom CA of residue 29
P3529
Atom HD3 of residue 42
P2595
P4
P7429
P2009
P3020
P3
P5734
P69
P2363
P12516
P4057
SingletonModifier 3
ScoreState 35
P349
P6150
Atom H of residue 31
P4258
P8127
P4593
P4642
P1
P3819
P5442
P2938
GeneralizedGuinierPorodFunction 21
P3375
P1390
P7055
P2958
P1812
P5501
P8313
P3316
P5
P7793
P4495
P1
P1542
P2600
P5618
Atom HD2 of residue 54
P1331
Covariance1DFunction 72
P3483
P1378
Atom HA of residue 36
P6488
P3042
P3
Model 228
P2793
P5474
P5
P3573
P6995
P9
P3317
P6087
Atom HA of residue 42
P7624
P2079
P5921
P4235
P3
P6662
Atom CE2 of residue 45
P6824
P3914
Model 62
P6064
P2
P8001
P11536
P406
P7856
P5311
P8520
P7827
P1848
P4126
Atom CA of residue 108
P5772
P7562
P7815
Model 106
P5897
GaussianProcessInterpolationRestraint 21
P3364
P7132
P106
P7875
P1635
GLY
P4856
P4500
P13
P8200
Atom CA of residue 76
P8493
P2517
P4969
P6625
P1
ScoreState 19
P5547
P1884
P1454
ListSingletonContainer150
Atom H of residue 52
P3251
P6321
P2349
P5104
P92
P7894
P6903
P6185
P7827
P2557
Atom HG2 of residue 11
P6489
P3043
P192
Restraint 6
P8443
P7804
Atom N of residue 9
P2025
P4374
P4372
P5262
P2312
Atom HD11 of residue 30
P5935
P7
P6744
P9355
P8494
P11614
P439
Atom NH1 of residue 74
Model 301
P1727
P6583
P1729
P5253
Atom HD2 of residue 45
P3
P5718
P6690
P1
Atom CG of residue 25
ListSingletonContainer121
P6338
P8065
P6586
P4138
P2
ListSingletonContainer8
Atom HG23 of residue 3
Multivariate Normal distribution 13
P8531
Atom C of residue 60
P2465
P3513
Atom OE1 of residue 16
P5969
P2
P5970
Atom O of residue 59
P1822
ListSingletonContainer544
P4785
P7670
P8111
P2128
Atom N of residue 69
P4181
P5726
GaussianProcessInterpolationRestraint 17
P2475
P0
P1762
P4664
P8260
P2185
Model 1
P6410
P5898
P4178
P4498
P2
P4772
P5621
P4168
P2
ListSingletonContainer438
P5186
P130
P8426
P3632
P5733
Atom O of residue 5
Atom C of residue 23
P4426
Multivariate Normal distribution 1
P7368
P4377
Atom C of residue 13
P6548
Covariance1DFunction 86
P1677
P2922
Atom CB of residue 11
P8040
P7614
P4696
P5760
P7065
P5457
P5750
P5527
P2496
P3091
P7584
P5048
Atom HE2 of residue 4
Atom HA of residue 16
P2628
P3826
P3824
P1503
GaussianProcessInterpolation12
Atom HD2 of residue 6
P2378
P7177
P26
P11836
P6534
P5006
P2540
P5519
P1
P3611
P6107
P5463
P8033
P1439
ScoreState 31
P3738
Atom HG23 of residue 55
Covariance1DFunction 84
P3591
P4812
Atom HG2 of residue 49
P2288
P5683
P2403
Atom HG2 of residue 37
P3950
P8106
P4542
P3
P5179
GaussianProcessInterpolationRestraint 33
P1743
P145
P2052
Model 98
P1711
P4621
P2768
P1838
P1408
P5770
P3317
ListSingletonContainer258
Model 136
P3622
P5828
P3463
P0
P7108
P4340
P4640
GaussianProcessInterpolation15
P8268
Atom CG1 of residue 55
P7269
P3
P7434
P4450
P9761
P7146
P2298
P3215
P4134
P1745
P2788
P339
P4029
P6218
P6965
P7725
Atom HB2 of residue 18
Model 95
P1904
P11151
Atom CB of residue 73
P4878
Atom HA of residue 2
Atom HA of residue 45
P4163
P6658
P2985
P6801
P462
P6730
P144
P4974
P8132
P1906
P1476
P12325
P8288
P2302
P4850
GaussianProcessInterpolationRestraint 10
Atom HB2 of residue 38
P130
P7919
P5333
GaussianProcessInterpolation42
ListSingletonContainer337
P7285
P3
P5199
P7464
ScoreState 41
P7354
P7350
P5
P5809
P6894
P3521
P5134
P151
P7232
P8196
P1
P1453
P3416
P18
P6304
P5388
Linear1DFunction 25
P46
Atom C of residue 46
P7085
P2199
Model 100
P4903
P2671
Atom OD2 of residue 58
P6604
P3
P5064
P5942
P1481
P4353
P8147
P4
P6278
P4588
P4437
P1901
P5581
P3905
P4803
Atom CG of residue 54
P420
P6533
P1841
P6945
Model 23
P5161
P5823
P7296
Atom CA of residue 27
P7985
ScoreState 15
P8132
ListSingletonContainer83
Atom O of residue 33
P8020
ScoreState 5
P11
P13221
P7914
P4449
P2962
P6205
P3404
Atom HD22 of residue 67
P6991
P8477
P7553
P3057
P0
Atom HA3 of residue 35
P4651
P7881
P2226
P4456
P4842
Atom ND2 of residue 60
P7991
Restraint 153
P5124
P7013
ScoreState 4
Atom CB of residue 49
P7973
Atom HG2 of residue 48
Atom HB3 of residue 32
P6903
P1
Atom NE of residue 21
P4347
P195
Covariance1DFunction 54
P2798
P4269
P5666
P5622
Atom HB2 of residue 71
P5126
P2185
P3950
P9100
P5106
P2962
P4385
P2606
P5094
P5972
P4139
P6992
P8466
P6268
P1649
P1628
P2
P11962
GeneralizedGuinierPorodFunction 2
Atom H of residue 44
P2627
P2
P7539
P1988
P452
P8454
Atom O of residue 2
ARG
P6891
P6911
P7856
P1
Atom HD11 of residue 8
P7046
Atom CG1 of residue 17
P7946
P4481
P6063
P6064
P0
P3183
P2903
P7588
Atom HG2 of residue 27
MET
P95
Model 43
Atom CG of residue 1
P146
P5890
P4
P1
P127
P60
P4235
Restraint 23
P6260
P4302
P4233
P4231
P1314
Model 42
JeffreysRestraint_P1
P6606
P2009
P4818
P4371
P4821
P2902
P4325
P4580
P4
P4593
P5045
P1
P7366
P7918
P0
Atom CB of residue 7
P5931
P5214
P7612
ScoreState 7
P2
P3200
P3274
P8113
P6520
P5307
P2408
P5729
P8439
P43
Atom HA of residue 41
P6660
P3931
P7601
P2330
P5392
Atom CD of residue 29
P1638
P7564
Atom CG1 of residue 23
P2861
P6922
P3811
P7258
P1998
GLY
P3897
P1
ListSingletonContainer343
Atom HG3 of residue 41
P3468
P3598
P5006
P2261
P2645
P3009
P8070
P6970
P6252
P1875
P1950
P2662
P7723
P2292
P5064
P6871
P7363
P4748
Model 64
P6153
P7709
P2326
P17
P5328
P5779
P5782
P2409
P6340
P7274
P6587
P7
P6183
P2224
P5172
P2330
P1972
P1527
P6729
Atom O of residue 57
P1838
P5231
Atom CG of residue 32
P3428
Atom H of residue 48
P7912
P2960
Atom HB3 of residue 52
P4647
P7877
P1
P6573
P189
Atom H of residue 69
P6555
P7441
P7960
P3584
Restraint 8
P3398
P4727
P1611
ListSingletonContainer332
P4720
P3210
P0
P169
P2638
P4805
P4080
P3978
Model 69
P4896
P7441
P10707
P2401
P5405
P7393
P5
Atom HA3 of residue 53
P2
Atom HA of residue 34
P3602
P62
Atom HA of residue 32
P5894
Atom CB of residue 34
P3842
Atom CE of residue 29
Atom HB3 of residue 31
Covariance1DFunction 43
P1
Atom HD11 of residue 36
Atom HB3 of residue 64
P137
P7777
Atom HB3 of residue 48
P5527
P0
P4300
Atom H of residue 16
P3144
P492
P11925
P6102
P2659
P1
P1661
P5030
P6216
P2809
P2868
P7631
P1349
P2045
P7174
P8386
P4633
P4482
P1943
P7423
Atom HD3 of residue 48
P7626
P229
P2
Atom NH1 of residue 74
P1
P7548
P5839
P6559
P4604
P304
GLY
P7537
P5
P5691
Linear1DFunction 6
P7552
P7238
P2555
P3334
P8065
Atom CG of residue 6
P4509
P8462
P6
Atom C of residue 30
P3757
Atom CA of residue 14
P2923
P6875
P4022
P2224
P6130
P2687
P72
P1830
P8125
P3749
P8128
P3752
P5189
P1
P3368
Atom OE2 of residue 16
P3453
P5943
P8478
P4
P230
P1569
P8219
P7583
P3190
P8549
P4
P3104
P8021
P3645
P1
P126
Atom NE of residue 54
P8288
P6
P101
P5851
ASP
P8522
P8405
Atom HA of residue 71
Model 34
P2478
P8138
P2327
Atom O of residue 40
P7616
P6746
Atom C of residue 24
P5058
Atom CZ of residue 42
P3604
P1628
P2497
P6699
P3184
P5528
P442
Atom HG2 of residue 74
P6610
Atom OG1 of residue 14
P5269
P6602
P3058
P11852
P6550
Atom O of residue 9
Covariance1DFunction 79
P9
P3923
P2923
P4346
Atom HG22 of residue 36
P8122
P3746
P2919
P5265
Atom O of residue 4
P2307
P184
P4758
P401
P7164
P3027
P6988
P6270
P6596
P1871
P5604
P5307
P5513
P3461
Model 21
P376
P2
P7404
Atom O of residue 3
P5101
Atom HG23 of residue 5
P0
P7396
P7102
P6384
P6668
P4864
P4508
P1868
P6610
P8037
P5560
P2585
P12808
Atom HE22 of residue 40
P10863
P5561
P2514
P5006
P94
P2
P6312
P1
P8223
P6554
P2462
Atom CB of residue 57
P1839
P7183
Atom CZ of residue 45
P3930
Atom CA of residue 24
P1568
P0
P2847
P11442
P366
P1953
P6628
P1916
P6247
P1962
Atom HG22 of residue 44
Atom O of residue 55
ListSingletonContainer85
Model 244
Atom HB3 of residue 49
P2326
P3
Linear1DFunction 3
P7077
P2980
P167
P2475
P3
P5022
P6223
P9208
P8363
ListSingletonContainer397
MolecularDynamicsMover7
P7632
P2051
P11984
P3574
P6682
P5825
P1619
P2341
P2876
P4650
P4054
P8010
P2133
Covariance1DFunction 8
P6580
P1315
P5155
P5124
P2183
P6838
P2576
Atom O of residue 54
P5605
P7872
P7772
P5578
P3902
P6513
P0
P5666
P2840
P7757
ILE
P5
P0
P10
P4277
Atom N of residue 36
P3806
Covariance1DFunction 56
Atom CD2 of residue 4
P5465
P5
P8115
Model 410
P6406
P2162
P4521
P5411
P2619
P7680
P3
P7466
Atom HD11 of residue 15
P1572
Atom HH11 of residue 74
P3380
P4571
P1329
P105
P7840
P7122
P2024
P2021
P3308
P7641
P8440
P5932
P4247
P5
Atom H of residue 22
P3925
P157
P5118
Atom N of residue 129
P6982
VAL
P2877
P1978
P5497
P6906
P3235
P5804
P5088
ListSingletonContainer17
P7235
P4620
P7824
P151
P7139
Atom HG3 of residue 19
P2423
P8087
P1376
Atom H of residue 48
P2092
P187
P2864
GaussianProcessInterpolation16
P5276
P7403
P77
P5575
P1
P2029
ListSingletonContainer220
P7667
P8404
P2
P1835
P255
P2436
Atom O of residue 56
P6
GaussianProcessInterpolation36
P4409
P1831
P6362
P7791
ListSingletonContainer296
P7926
P8554
Model 143
P3682
P4505
Restraint 104
P4431
P5420
P5419
P272
P7173
Atom CG1 of residue 36
P1
P4089
P4704
P3352
P3
P8489
Model 241
P0
P3658
P490
P6870
Covariance1DFunction 19
P6605
P2999
P1417
P4773
Restraint 146
Atom CA of residue 3
P6700
P7865
P7447
P2209
Atom C of residue 62
P2959
Atom HG2 of residue 31
P6202
Atom H of residue 29
P3938
P0
P2140
P7933
Atom CB of residue 68
Atom O of residue 43
P1770
P5096
Atom CG of residue 51
P10527
P0
P1751
P2526
P5579
P4198
P7634
P2107
P54
P2441
P5097
P6715
GaussianProcessInterpolation64
P0
P2
P1821
P3603
P5887
P3776
P7654
P3278
P3550
P7277
P2417
P9905
P5455
P6546
P6120
P2709
P6636
P4084
UnaryFunction29
P0
P5
P7884
P2601
Atom N of residue 38
Model 170
P5906
P6276
P7549
P6449
P5122
GeneralizedGuinierPorodFunction 54
P2139
P5589
P5827
P115
Model 289
P3393
Atom CA of residue 52
P2039
P7675
P6531
P6105
Covariance1DFunction 58
P3515
P6433
P4191
P7627
P2739
Restraint 10
P1
P3488
Atom N of residue 13
P4163
P3536
P394
P7024
P1
P7739
P2692
P8180
P5703
P1514
P39
Atom HD12 of residue 15
P4295
P1435
P7733
P4594
Restraint 115
Atom CA of residue 8
P7400
P1386
P4382
P6303
P5352
P5273
P4625
P6523
P344
P6649
P1927
P1547
Atom CD of residue 51
P0
P5487
P3310
P1944
P114
P7204
P5218
P3658
P353
P4
P7989
P4
P314
P67
P6739
Atom OD1 of residue 48
P6
P1722
ListSingletonContainer437
P5942
P6448
P4581
GaussianProcessInterpolationRestraint 16
P7352
P7876
GaussianProcessInterpolation34
Model 2
Atom CA of residue 33
P8443
P3935
P5757
Atom CA of residue 76
P1
Atom OD1 of residue 21
P4
P8293
P7596
P5055
P0
Model 89
scons: *** Error 1
isd module unit tests FAILED
Running isd module unit tests
scons: *** [modules/isd/test/fast-test.results] Error 1
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/example/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/examples/range_restriction.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/examples/fast-test.results.out) > /dev/null
Run example range_restriction.py ... ok

----------------------------------------------------------------------
Ran 1 test in 0.311s

OK
example examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/example/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.example --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/test/test_assembly.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/test/test_filter.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/test/test_modifier.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_example_standards.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/example/test/fast-test.results.out) > /dev/null
Test getting complex assembly ... in 2.225s ... 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 2.831s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
PairsRestraint 0
GridCPF
MovedSingletonContainer1
Model 0
P1
P0 P1
DynamicNearestNeighbor3D0
SoftSpherePairScore 0
NBLInput Container 0
ClosePairContainer
P0
HarmonicDistancePairScore 0
example module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kmeans/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/kmeans/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kmeans/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kmeans/examples/kmeans_example.py >/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 499, in run_example
    exec open(filename) in vars
  File "/private/tmp/nightly-build-90354/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 0.003s

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:415: warning: unused parameter 'bnd_box'
modules/kmeans/src/internal/KCtree.cpp:830: 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 /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kmeans/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/kmeans/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.kmeans --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kmeans/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/kmeans/test/test_kmeans.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_kmeans_standards.py >/private/tmp/nightly-build-90354/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 "/private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_kmeans_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/private/tmp/nightly-build-90354/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 0.550s

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 /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/parallel/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/examples/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/examples/local_distance.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/examples/tasks.py >/private/tmp/nightly-build-90354/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 0.329s

OK
parallel examples succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/parallel/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.parallel --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/test/test_sge.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/test/test_startup.py /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/parallel/test/test_tasks.py /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_parallel_standards.py >/private/tmp/nightly-build-90354/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 1.481s

OK
parallel module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/pepdock/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/pepdock/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.pepdock --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/pepdock/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_pepdock_standards.py >/private/tmp/nightly-build-90354/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 0.007s

OK
pepdock module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/modules/scratch/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp modules/scratch/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.scratch --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/modules/scratch/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/test/test_scratch_standards.py >/private/tmp/nightly-build-90354/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 0.007s

OK
scratch module unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp applications/EModel2D/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/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=/private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_argminmax.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_buildxlinks.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_cluster_solutions.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_csv_related.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_database.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_dock_related.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_domino_modeling.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_mc_modeling.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/test_sampling.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/applications/EModel2D/test/fast-test.results.out) > /dev/null
EModel2D application unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/foxs/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp applications/foxs/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --application=foxs --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/applications/foxs/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/foxs/test/test_saxs.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/applications/foxs/test/fast-test.results.out) > /dev/null
Simple test of SAXS profile application ... foxs /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/foxs/test/input/6lyz.pdb /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/foxs/test/input/lyzexp.dat 
Computing profile for /private/tmp/nightly-build-90354/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 CD2 of residue 129
Atom O of residue 129
Atom C of residue 129
Atom CA of residue 129
Atom NH2 of residue 128
ARG
CYS
Atom N of residue 127
Atom O of residue 126
GLY
Atom NE of residue 125
Atom N of residue 125
Atom CG2 of residue 124
Atom CB of residue 124
Atom O of residue 124
Atom C of residue 124
Atom CA of residue 124
Atom N of residue 124
Atom CE2 of residue 123
Atom CG of residue 123
Atom O of residue 123
Atom CA of residue 123
Atom N of residue 123
Atom CB of residue 122
Atom O of residue 122
Atom C of residue 122
Atom CA of residue 122
ALA
Atom N of residue 122
Atom OE1 of residue 121
Atom CD of residue 121
Atom CG of residue 121
Atom CB of residue 121
Atom CA of residue 121
GLN
Atom CG1 of residue 120
Atom CB of residue 120
Atom O of residue 120
VAL
Atom N of residue 120
Atom CG of residue 119
ASP
Atom OG1 of residue 118
Atom C of residue 118
Atom CA of residue 118
THR
Atom O of residue 117
Atom C of residue 117
Atom N of residue 117
Atom C of residue 128
Atom CE of residue 116
Atom CB of residue 116
Atom O of residue 116
Atom C of residue 116
Atom CA of residue 116
Atom C of residue 127
LYS
Atom N of residue 116
Atom O of residue 115
Atom C of residue 115
Atom CA of residue 115
Atom N of residue 115
Atom NH1 of residue 114
Atom CZ of residue 114
Atom NE of residue 114
Atom CG of residue 114
Atom CB of residue 114
Atom C of residue 114
Atom CA of residue 114
ARG
Atom ND2 of residue 113
Atom OD1 of residue 113
Atom CG of residue 113
Atom CB of residue 113
Atom O of residue 113
Atom C of residue 113
Atom CA of residue 113
ASN
Atom NH2 of residue 112
Atom CZ3 of residue 123
Atom NH1 of residue 112
Atom CZ of residue 112
Atom NE of residue 112
Atom CB of residue 112
Atom CH2 of residue 111
Atom CZ2 of residue 111
Atom CE3 of residue 111
Atom NE1 of residue 111
Atom C of residue 111
Atom CG2 of residue 109
Atom CG1 of residue 109
Atom CB of residue 109
Atom O of residue 109
Atom CA of residue 109
Atom N of residue 109
Atom CH2 of residue 108
Atom CZ3 of residue 108
Atom CE3 of residue 108
Atom CE2 of residue 108
Atom NE1 of residue 108
Atom CD2 of residue 108
Atom CD1 of residue 108
Atom CG of residue 108
Atom CB of residue 108
Atom O of residue 108
Atom C of residue 108
Atom CA of residue 108
Atom N of residue 108
Atom CB of residue 107
Atom O of residue 107
Atom C of residue 107
Atom CA of residue 107
ALA
Atom N of residue 107
Atom CA of residue 117
Atom ND2 of residue 106
Atom CA of residue 128
Atom C of residue 106
Atom CA of residue 106
Atom CB of residue 115
Atom C of residue 105
Atom CA of residue 105
MET
Atom CA of residue 126
Atom N of residue 105
Atom C of residue 104
Atom CA of residue 104
Atom CZ of residue 125
Atom N of residue 104
Atom CD of residue 125
Atom OD1 of residue 103
Atom CG of residue 125
Atom CG of residue 103
Atom CA of residue 125
Atom CA of residue 103
ARG
ASN
Atom N of residue 103
Atom CG1 of residue 124
Atom CA of residue 102
GLY
ILE
Atom CG of residue 101
Atom CH2 of residue 123
Atom O of residue 101
Atom C of residue 101
Atom CA of residue 101
Atom OG of residue 100
Atom CB of residue 100
Atom C of residue 100
Atom CA of residue 100
Atom N of residue 100
Atom CG2 of residue 99
Atom CG1 of residue 99
Atom CB of residue 99
Atom O of residue 99
Atom CA of residue 99
Atom N of residue 99
Atom CD1 of residue 98
Atom CB of residue 98
Atom CA of residue 98
Atom N of residue 98
Atom CE of residue 97
Atom CB of residue 97
Atom O of residue 97
Atom C of residue 97
Atom CA of residue 97
LYS
Atom NZ of residue 96
Atom CE of residue 96
Atom CD of residue 96
Atom O of residue 96
Atom C of residue 96
Atom CA of residue 96
LYS
Atom N of residue 96
Atom CB of residue 95
Atom C of residue 95
Atom CA of residue 95
ALA
Atom N of residue 95
Atom O of residue 94
Atom C of residue 94
Atom NH1 of residue 128
Atom CA of residue 94
Atom N of residue 94
Atom ND2 of residue 93
Atom CB of residue 93
Atom N of residue 93
Atom CG2 of residue 92
Atom CG1 of residue 92
Atom O of residue 92
Atom C of residue 92
Atom C of residue 91
Atom N of residue 91
Atom CB of residue 90
ALA
Atom N of residue 90
Atom CG2 of residue 89
Atom N of residue 114
Atom CB of residue 89
Atom O of residue 89
THR
Atom CD1 of residue 88
Atom N of residue 113
Atom CB of residue 88
Atom C of residue 88
Atom CA of residue 88
Atom N of residue 88
Atom NE1 of residue 123
Atom OD2 of residue 87
Atom CD2 of residue 123
Atom OD1 of residue 87
Atom N of residue 15
Atom C of residue 87
Atom CA of residue 87
ASP
SER
Atom CB of residue 85
Atom C of residue 85
Atom CZ2 of residue 108
Atom N of residue 10
Atom CA of residue 83
Atom O of residue 9
Atom C of residue 24
SER
Atom CA of residue 3
Atom N of residue 83
Atom N of residue 119
Atom CG of residue 8
Atom CA of residue 82
ALA
Atom N of residue 82
Atom CD1 of residue 23
Atom NH1 of residue 68
Atom O of residue 81
Atom SG of residue 80
Atom CB of residue 80
Atom O of residue 80
Atom C of residue 80
Atom NH2 of residue 21
CYS
Atom N of residue 80
Atom CD of residue 79
Atom C of residue 79
Atom CA of residue 79
PRO
Atom CG2 of residue 78
Atom CG1 of residue 78
Atom C of residue 67
Atom CB of residue 78
Atom C of residue 78
Atom CA of residue 78
Atom OD1 of residue 77
Atom CG of residue 77
Atom CB of residue 77
Atom O of residue 77
Atom C of residue 77
Atom SG of residue 76
Atom CB of residue 76
Atom O of residue 76
Atom C of residue 76
Atom CA of residue 76
Atom CD2 of residue 75
Atom C of residue 29
Atom CE2 of residue 63
Atom CD1 of residue 75
Atom O of residue 75
Atom C of residue 75
Atom CA of residue 75
LEU
Atom CG of residue 74
Atom CB of residue 74
Atom O of residue 74
Atom CA of residue 112
SER
Atom C of residue 74
Atom CA of residue 80
ASN
Atom CB of residue 28
Atom NH2 of residue 73
Atom NE of residue 14
Atom OG of residue 86
Atom NH1 of residue 73
Atom C of residue 10
Atom CZ of residue 73
Atom CA of residue 28
Atom NE of residue 73
Atom CG of residue 73
Atom CB of residue 73
Atom O of residue 73
Atom CG1 of residue 98
Atom C of residue 73
Atom CA of residue 73
Atom CD2 of residue 3
ARG
Atom N of residue 73
Atom OG of residue 72
Atom O of residue 72
Atom N of residue 72
Atom O of residue 71
Atom C of residue 71
GLY
Atom CA of residue 120
Atom O of residue 23
Atom N of residue 71
Atom C of residue 3
Atom CG of residue 70
Atom CB of residue 70
PRO
Atom CA of residue 119
Atom CG2 of residue 69
Atom O of residue 69
Atom C of residue 69
Atom N of residue 59
THR
Atom CA of residue 8
Atom NH2 of residue 68
Atom CZ of residue 68
Atom CD of residue 68
Atom C of residue 22
Atom C of residue 58
Atom CG of residue 68
Atom C of residue 68
Atom CA of residue 68
Atom OG of residue 81
ARG
Atom CD2 of residue 23
Atom OD1 of residue 66
Atom CB of residue 81
Atom N of residue 68
Atom O of residue 67
Atom O of residue 93
Atom CZ of residue 21
GLY
Atom C of residue 19
Atom CG of residue 79
Atom N of residue 67
Atom CG2 of residue 120
Atom CB of residue 84
Atom NH2 of residue 114
Atom CG of residue 65
Atom N of residue 26
Atom O of residue 84
Atom CB of residue 65
Atom ND2 of residue 103
Atom C of residue 65
Atom CG of residue 83
Atom C of residue 125
Atom C of residue 103
Atom CB of residue 64
Atom N of residue 60
Atom O of residue 83
Atom C of residue 64
Atom CZ2 of residue 63
Atom CB of residue 53
Atom CD2 of residue 63
Atom CD1 of residue 63
ILE
Atom O of residue 63
Atom C of residue 63
Atom O of residue 52
Atom CZ3 of residue 62
Atom CB of residue 5
Atom CE2 of residue 62
Atom O of residue 86
Atom CG of residue 62
Atom CA of residue 62
TRP
Atom N of residue 62
Atom NH1 of residue 61
Atom CZ of residue 61
Atom C of residue 35
Atom CD1 of residue 84
Atom CG of residue 61
Atom N of residue 126
Atom OD1 of residue 65
Atom CB of residue 61
ARG
Atom C of residue 84
Atom O of residue 65
Atom CA of residue 61
Atom N of residue 61
Atom CD1 of residue 83
Atom O of residue 60
Atom C of residue 60
SER
Atom CB of residue 83
Atom O of residue 64
Atom CA of residue 60
Atom OD1 of residue 59
Atom O of residue 66
Atom CG of residue 59
Atom O of residue 59
Atom OD2 of residue 101
Atom CE3 of residue 63
Atom CD2 of residue 8
Atom C of residue 59
Atom CA of residue 59
Atom CD1 of residue 53
Atom CD1 of residue 58
Atom CG1 of residue 58
Atom CB of residue 58
Atom O of residue 22
Atom O of residue 58
Atom CB of residue 52
Atom CH2 of residue 62
CYS
Atom NH2 of residue 45
Atom CA of residue 58
ILE
Atom NE2 of residue 57
Atom OE1 of residue 57
Atom CD of residue 57
Atom CD2 of residue 62
Atom CG of residue 57
Atom OG1 of residue 51
Atom CD1 of residue 62
Atom CB of residue 57
Atom O of residue 57
ASN
Atom C of residue 57
Atom O of residue 62
ARG
Atom CA of residue 57
GLN
Atom CD2 of residue 56
Atom CD1 of residue 56
Atom CB of residue 50
Atom NH2 of residue 61
Atom CG of residue 56
Atom CB of residue 56
VAL
Atom O of residue 56
Atom N of residue 92
Atom C of residue 56
LEU
Atom ND2 of residue 65
Atom N of residue 56
Model 0
SER
Atom CD1 of residue 55
Atom CG2 of residue 55
Atom CB of residue 55
Atom O of residue 55
ILE
Atom O of residue 54
Atom C of residue 54
GLY
Atom N of residue 54
Atom CZ3 of residue 63
Atom CB of residue 59
Atom CA of residue 89
Atom CD of residue 41
Atom CE2 of residue 53
Atom CB of residue 69
Atom CE1 of residue 53
Atom CD2 of residue 53
Atom C of residue 53
Atom CE3 of residue 123
TYR
Atom NE of residue 68
Atom N of residue 53
Atom OD2 of residue 52
Atom OD1 of residue 52
Atom CG of residue 52
Atom C of residue 52
Atom NH1 of residue 14
ASP
Atom CG2 of residue 51
Atom O of residue 51
Atom C of residue 51
THR
Atom N of residue 51
Atom N of residue 14
Atom OG of residue 50
Atom CB of residue 6
Atom O of residue 50
Atom O of residue 6
Atom C of residue 50
Atom CD of residue 61
Atom N of residue 85
Atom NE of residue 61
Atom CA of residue 50
Atom N of residue 50
Atom O of residue 49
Atom N of residue 49
Atom CA of residue 71
Atom OD2 of residue 48
Atom C of residue 55
Atom OD1 of residue 48
Atom O of residue 48
Atom CA of residue 54
Atom CB of residue 2
ASP
Atom CA of residue 47
THR
Atom CA of residue 69
ASN
Atom O of residue 95
Atom N of residue 47
Atom ND2 of residue 46
Atom O of residue 53
Atom OD1 of residue 46
Atom CG of residue 66
Atom ND1 of residue 15
Atom CA of residue 53
Atom CB of residue 46
Atom CB of residue 94
Atom C of residue 46
Atom CB of residue 68
Atom N of residue 46
Atom CZ of residue 45
Atom CG of residue 93
Atom CD of residue 45
Atom CG of residue 45
Atom O of residue 19
Atom CB of residue 45
Atom CA of residue 93
Atom C of residue 45
Atom CA of residue 45
Atom ND2 of residue 44
Atom CB of residue 92
Atom OD1 of residue 44
Atom CB of residue 44
Atom CA of residue 92
Atom O of residue 44
Atom CA of residue 44
Atom OG of residue 91
Atom CA of residue 56
ASN
Atom CA of residue 18
Atom CA of residue 43
Atom CA of residue 42
Atom C of residue 83
Atom OG1 of residue 89
ALA
Atom OE1 of residue 41
Atom CB of residue 101
Atom CA of residue 41
Atom CG2 of residue 118
Atom CB of residue 8
Atom CE of residue 1
Atom N of residue 30
GLN
Atom CB of residue 63
Atom CB of residue 129
Atom CE1 of residue 23
Atom C of residue 8
Atom CG2 of residue 40
Atom N of residue 101
Atom CB of residue 40
Atom N of residue 75
ASP
Atom OG1 of residue 40
Atom CG of residue 18
Atom OG1 of residue 43
Atom CA of residue 63
LEU
Atom N of residue 35
Atom CD of residue 112
Atom CH2 of residue 28
Atom CB of residue 15
Atom O of residue 40
Atom NH1 of residue 125
Atom CA of residue 91
Atom CB of residue 18
Atom CB of residue 43
Atom O of residue 4
Atom C of residue 40
Atom O of residue 100
Atom CA of residue 40
Atom CE3 of residue 28
Atom N of residue 81
Chain A
Atom O of residue 112
THR
Atom CA of residue 67
Atom OD1 of residue 39
Atom O of residue 42
Atom N of residue 74
Atom CB of residue 39
Atom CG of residue 116
Atom CA of residue 21
Atom CB of residue 14
Atom N of residue 39
Atom CA of residue 51
Atom CE2 of residue 38
Atom C of residue 62
Atom CZ of residue 38
Atom CG2 of residue 98
Atom CE1 of residue 38
Atom O of residue 111
Atom CD1 of residue 38
Atom CD of residue 35
Atom C of residue 41
Atom CA of residue 127
Atom CB of residue 105
Atom C of residue 20
Atom O of residue 33
Atom N of residue 6
Atom NZ of residue 13
Atom O of residue 27
Atom O of residue 98
Atom CG of residue 38
Atom C of residue 126
ASP
Atom O of residue 38
Atom O of residue 118
Atom N of residue 41
Atom CD2 of residue 84
Atom C of residue 12
Atom N of residue 66
Atom C of residue 38
Atom CG of residue 35
Atom CA of residue 38
Atom CB of residue 91
Atom N of residue 44
Atom O of residue 26
Atom O of residue 110
Atom O of residue 13
PHE
Atom CG2 of residue 43
Atom C of residue 4
Atom O of residue 61
Atom N of residue 38
Atom C of residue 61
Atom CA of residue 49
Atom ND2 of residue 37
Atom O of residue 18
Atom CA of residue 11
Atom O of residue 43
Atom CG of residue 37
Atom C of residue 18
Atom C of residue 43
LEU
Atom CB of residue 37
ASN
Atom OG of residue 60
Atom O of residue 37
Atom N of residue 23
Atom ND2 of residue 39
Atom CD2 of residue 83
Atom N of residue 65
Atom CB of residue 60
Atom C of residue 37
Atom O of residue 125
Atom O of residue 103
Atom SG of residue 64
Atom CA of residue 37
Atom CB of residue 125
Atom CB of residue 103
Atom CZ of residue 20
Atom O of residue 25
Atom C of residue 109
Atom N of residue 97
ASN
Atom C of residue 25
Atom N of residue 37
SER
Atom OE2 of residue 35
Atom N of residue 24
Atom OE1 of residue 35
Atom NZ of residue 97
Atom C of residue 72
Atom O of residue 35
Atom CA of residue 35
ASN
Atom CZ of residue 34
Atom CB of residue 123
HIS
Atom NE1 of residue 28
Atom NE of residue 128
Atom CD1 of residue 34
Atom OD1 of residue 19
Atom CB of residue 128
Atom O of residue 34
Atom O of residue 106
Atom CA of residue 10
Atom CA of residue 34
ASN
Atom NZ of residue 33
Atom N of residue 57
Atom NE2 of residue 121
ARG
Atom OG of residue 85
Atom CB of residue 127
Atom CE of residue 105
Atom CD of residue 33
Atom CD1 of residue 78
Atom CG of residue 33
Atom CG of residue 105
Atom O of residue 20
Atom CB of residue 33
TRP
Atom CD of residue 13
Atom CA of residue 85
Atom SG of residue 115
Atom O of residue 105
Atom C of residue 33
Atom O of residue 78
Atom CA of residue 33
Atom N of residue 33
ILE
Atom CB of residue 32
Atom ND2 of residue 77
Atom C of residue 32
Atom CA of residue 32
Atom CA of residue 4
ALA
Atom O of residue 31
Atom CB of residue 21
Atom N of residue 43
Atom N of residue 55
Atom C of residue 31
PHE
Atom C of residue 28
Atom C of residue 99
Atom CA of residue 39
Atom CD of residue 1
Atom C of residue 17
Atom N of residue 31
Atom OG1 of residue 47
Atom NE2 of residue 41
Atom CA of residue 17
Atom SG of residue 30
Atom CG of residue 75
Atom C of residue 30
Atom CA of residue 30
Atom OD2 of residue 66
Atom C of residue 39
Atom CB of residue 36
CYS
Atom CB of residue 47
Atom C of residue 89
LEU
Atom CG2 of residue 29
Atom C of residue 47
Atom CA of residue 5
Atom O of residue 16
Atom CG1 of residue 29
Atom OG1 of residue 69
Atom CZ of residue 53
Atom C of residue 5
Atom O of residue 29
Atom CA of residue 29
Atom CB of residue 23
Atom CA of residue 81
Atom ND2 of residue 74
Atom N of residue 29
Atom CZ3 of residue 28
Atom O of residue 15
Atom CZ2 of residue 28
Atom O of residue 70
Atom CE1 of residue 20
Atom CG of residue 39
Atom N of residue 112
Atom CD1 of residue 28
Atom N of residue 86
Atom CG2 of residue 2
Atom CD2 of residue 111
Atom O of residue 14
Atom CA of residue 86
Atom N of residue 28
Atom OXT of residue 129
Atom CD1 of residue 8
Atom C of residue 82
Atom CB of residue 82
Atom C of residue 9
GLY
Atom ND2 of residue 27
Atom CG of residue 53
GLY
Atom C of residue 44
Atom NH2 of residue 5
Atom CB of residue 27
Atom CG of residue 63
Atom CG of residue 129
LYS
Atom O of residue 8
SER
Atom CA of residue 111
Atom C of residue 98
Atom CB of residue 38
Atom CE of residue 13
Atom C of residue 27
Atom C of residue 121
Atom N of residue 27
Atom CB of residue 11
Atom CA of residue 26
Atom CD2 of residue 25
Atom CD1 of residue 25
Atom N of residue 52
Atom CG of residue 1
Atom CB of residue 25
Atom NE1 of residue 62
Atom N of residue 70
Atom CA of residue 66
Atom C of residue 119
Atom N of residue 2
Atom CB of residue 9
Atom O of residue 24
Atom CE1 of residue 3
Atom OD1 of residue 27
Atom CA of residue 24
Atom CB of residue 75
Atom N of residue 7
Atom CB of residue 118
Atom OH of residue 23
Atom CG1 of residue 88
Atom CE2 of residue 23
Atom CG of residue 15
Atom OE1 of residue 7
TRP
Atom CA of residue 36
GLY
Atom CA of residue 110
Atom CD of residue 97
Atom CA of residue 13
Atom O of residue 11
CYS
Atom O of residue 104
Atom CA of residue 12
Atom C of residue 26
SER
Atom CG of residue 23
Atom N of residue 77
Atom CD of residue 70
Atom C of residue 23
Atom O of residue 87
Atom N of residue 118
Atom CE1 of residue 34
Atom CG of residue 87
Atom C of residue 15
Atom O of residue 7
Atom CA of residue 23
Atom NH1 of residue 45
Atom O of residue 68
Atom N of residue 5
Atom CE2 of residue 28
TYR
Atom CD of residue 5
Atom SD of residue 12
Atom CA of residue 84
Atom N of residue 110
Atom N of residue 13
Atom CB of residue 87
Atom CD of residue 114
Atom CA of residue 65
Atom OH of residue 20
Atom CE of residue 12
Atom CD1 of residue 123
Atom N of residue 63
Atom N of residue 129
Atom CG of residue 7
GLY
Atom C of residue 11
Atom CA of residue 2
Atom C of residue 6
MET
Atom OG of residue 36
VAL
Atom CA of residue 25
Atom OD2 of residue 119
Atom CA of residue 22
Atom CB of residue 48
Atom C of residue 90
Atom CA of residue 55
Atom N of residue 18
Atom CE3 of residue 62
Atom CB of residue 12
GLY
Atom OD1 of residue 93
Atom N of residue 22
Atom CD of residue 14
Atom CB of residue 86
Atom O of residue 128
Atom NZ of residue 116
Atom C of residue 34
TRP
ALA
Atom CZ3 of residue 111
Atom CZ of residue 14
Atom CG of residue 19
Atom CG of residue 28
Atom CA of residue 90
Atom CB of residue 42
Atom CB of residue 79
Atom CA of residue 6
Atom CG of residue 106
Atom NH1 of residue 21
Atom C of residue 112
Atom CA of residue 15
Atom N of residue 40
Atom CD of residue 128
ALA
Atom O of residue 114
Atom CA of residue 31
Atom CE2 of residue 20
Atom CD1 of residue 20
Atom CB of residue 62
Atom C of residue 86
Atom CB of residue 106
Atom CB of residue 19
Atom O of residue 28
Atom CB of residue 96
Atom CB of residue 1
Atom CG2 of residue 47
Atom CG of residue 96
Atom N of residue 48
Atom ND2 of residue 19
Atom CG of residue 20
Atom CG of residue 46
Atom O of residue 88
Atom CE1 of residue 15
LYS
Atom CA of residue 27
Atom O of residue 119
Atom CB of residue 24
Atom CB of residue 20
TYR
Atom O of residue 79
Atom N of residue 19
Atom CA of residue 72
Atom OD2 of residue 18
SER
Atom CG1 of residue 55
GLY
Atom C of residue 110
Atom C of residue 13
Atom C of residue 49
Atom O of residue 91
Atom OD1 of residue 18
Atom CD2 of residue 17
Atom C of residue 48
CYS
Atom CD1 of residue 17
Atom OD1 of residue 119
Atom O of residue 2
LEU
Atom CA of residue 48
Atom O of residue 30
Atom C of residue 42
Atom CG of residue 17
Atom CB of residue 17
ALA
Atom CD1 of residue 111
Atom C of residue 14
Atom O of residue 47
Atom N of residue 17
Atom N of residue 36
GLU
Atom CB of residue 29
Atom N of residue 89
Atom C of residue 16
Atom N of residue 69
Atom NE2 of residue 15
Atom ND2 of residue 59
Atom O of residue 17
Atom N of residue 42
Atom N of residue 128
ARG
Atom CD2 of residue 15
Atom CG of residue 111
Atom CA of residue 14
Atom O of residue 127
Atom SD of residue 105
Atom N of residue 21
TRP
Atom CB of residue 110
Atom CB of residue 13
Atom CE2 of residue 111
Atom CB of residue 51
Atom CA of residue 52
Atom NE of residue 45
ASN
Atom CG of residue 14
Atom CG of residue 5
Atom CB of residue 72
Atom CZ of residue 5
SER
ASN
Atom N of residue 111
ILE
Atom CG of residue 13
TRP
Atom N of residue 84
Atom O of residue 90
ASP
THR
Atom CG of residue 21
Atom CB of residue 31
Atom NE1 of residue 63
Atom C of residue 70
Atom CD2 of residue 20
Atom N of residue 12
Atom SG of residue 127
Atom N of residue 106
Atom CE of residue 33
Atom O of residue 10
Atom OD1 of residue 101
Atom O of residue 41
Atom N of residue 16
VAL
Atom CD of residue 73
Atom NH2 of residue 125
Atom N of residue 78
Atom CG of residue 34
Atom O of residue 121
ASN
Atom CD of residue 116
Atom CA of residue 19
Atom N of residue 34
Atom CH2 of residue 63
LEU
Atom C of residue 102
Atom N of residue 64
Atom C of residue 36
Atom N of residue 79
Atom N of residue 9
Atom CD1 of residue 124
Atom O of residue 102
CYS
Atom O of residue 36
ARG
Atom CG2 of residue 88
Atom N of residue 8
Atom CA of residue 16
Atom CB of residue 35
Atom SG of residue 94
Atom O of residue 46
LEU
Atom O of residue 45
Atom CG of residue 97
Atom C of residue 2
ARG
Atom CD2 of residue 28
Atom N of residue 87
Atom O of residue 3
Atom C of residue 123
Atom NH2 of residue 14
Atom CG of residue 112
Atom OD1 of residue 74
6lyz.pdb
ALA
Atom CA of residue 46
Atom CD of residue 7
Atom CA of residue 7
Atom CD1 of residue 129
Atom CZ of residue 23
Atom CB of residue 41
Atom NE of residue 5
Atom O of residue 39
Atom OE2 of residue 7
Atom C of residue 21
GLY
Atom N of residue 11
Atom CB of residue 66
Atom CG2 of residue 58
VAL
Atom SG of residue 6
Atom CA of residue 1
Atom N of residue 25
Atom CA of residue 20
Atom CA of residue 70
Atom N of residue 20
Atom CB of residue 7
Atom N of residue 102
Atom N of residue 76
Atom CG of residue 41
GLU
Atom C of residue 81
Atom CE2 of residue 3
VAL
Atom CG of residue 27
Atom CG of residue 44
Atom NH1 of residue 5
Atom CB of residue 30
Atom C of residue 93
Atom NE of residue 21
Atom CD of residue 21
Atom OD1 of residue 37
Atom CA of residue 74
Atom O of residue 1
Atom N of residue 4
Atom N of residue 1
Atom CB of residue 10
Atom CZ of residue 3
Atom C of residue 66
Atom O of residue 5
Atom CB of residue 3
Atom CA of residue 9
Atom N of residue 58
Atom CZ of residue 128
Atom CD2 of residue 34
ASN
Atom N of residue 121
Atom CG of residue 84
Atom CZ2 of residue 123
Atom CD1 of residue 3
Atom O of residue 32
Atom CG of residue 3
Atom CE2 of residue 34
PHE
Atom O of residue 12
Atom C of residue 120
Atom CG of residue 25
Atom CG of residue 48
Atom N of residue 45
Atom O of residue 21
Atom CA of residue 77
Atom CG of residue 12
Atom CG1 of residue 2
Atom O of residue 85
Atom O of residue 82
Atom NZ of residue 1
Atom CB of residue 111
Atom CD2 of residue 38
Atom CG of residue 128
Atom OD1 of residue 106
Atom CB of residue 34
Atom CA of residue 64
ALA
LYS
Atom OH of residue 53
Atom C of residue 1
Atom N of residue 3
Atom CB of residue 119
Atom OG of residue 24
Atom N of residue 32
Atom CZ2 of residue 62
Atom C of residue 7
CYS
ok

----------------------------------------------------------------------
Ran 1 test in 0.766s

OK
foxs application unit tests succeeded
tempfile /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp applications/integrative_docking/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-90354/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-90354/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-90354/imp-SVN.r14111/scons_tools/run-all-tests.py --application=integrative_docking --pycoverage=no --results=/private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/test_em2d_dock.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/test_em3d_dock.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/test_foxsdock.py /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/test_nmr_rtc.py >/private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results.out) > /dev/null
Simple test of EM2D single PDB score application ... em2d_single_score /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/complex-2d.pdb /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/image_1.pgm /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/image_2.pgm /private/tmp/nightly-build-90354/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 /private/tmp/nightly-build-90354/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.
Atom OXT of residue 444
Atom CD2 of residue 444
Atom O of residue 443
Atom NE2 of residue 442
Atom CB of residue 442
Atom ND1 of residue 442
Atom CA of residue 442
HIS
Atom C of residue 441
Atom CE1 of residue 441
Atom CB of residue 441
Atom CG of residue 441
Atom ND1 of residue 441
Atom CA of residue 441
Atom CE1 of residue 440
Atom CD2 of residue 440
Atom CB of residue 440
Atom ND1 of residue 440
Atom CA of residue 440
Atom N of residue 440
Atom C of residue 439
Atom CE1 of residue 439
Atom CD2 of residue 439
Atom NE2 of residue 439
Atom CB of residue 439
Atom ND1 of residue 439
Atom CA of residue 439
HIS
Atom N of residue 439
Atom C of residue 438
Atom CE1 of residue 438
Atom CD2 of residue 438
Atom CG of residue 438
Atom ND1 of residue 438
HIS
Atom N of residue 438
Atom CE1 of residue 437
Atom CD2 of residue 437
Atom CG of residue 437
Atom CA of residue 437
HIS
Atom O of residue 436
Atom CE1 of residue 436
Atom CB of residue 436
Atom ND1 of residue 436
Atom CA of residue 436
Atom O of residue 435
Atom C of residue 435
Atom NE2 of residue 435
Atom CB of residue 435
Atom CG of residue 435
Atom CA of residue 435
HIS
Atom N of residue 435
Atom O of residue 434
ALA
Atom O of residue 433
Atom CB of residue 433
ALA
Atom CB of residue 432
Atom CA of residue 432
ALA
Atom N of residue 432
Atom C of residue 431
Atom NZ of residue 431
Atom CB of residue 431
Atom CA of residue 431
Atom NE of residue 430
Atom N of residue 430
Atom O of residue 429
Atom OE2 of residue 429
Atom OE1 of residue 429
Atom CG of residue 429
Atom CA of residue 429
Atom CG1 of residue 428
Atom CB of residue 428
Atom CA of residue 428
Atom O of residue 427
Atom C of residue 427
Atom CG2 of residue 427
Atom CB of residue 427
Atom N of residue 427
Atom CD of residue 426
Atom CG of residue 426
Atom CB of residue 426
Atom CA of residue 426
LYS
Atom OD1 of residue 425
Atom CG of residue 425
Atom CB of residue 425
Atom CA of residue 425
ASP
Atom CG1 of residue 424
Atom CB of residue 424
Atom CA of residue 424
Atom N of residue 424
Atom O of residue 423
Atom CE of residue 423
Atom CD of residue 423
Atom CB of residue 423
Atom CA of residue 423
LYS
Atom N of residue 423
Atom C of residue 422
Atom OG1 of residue 422
Atom CB of residue 422
Atom CA of residue 422
THR
Atom O of residue 421
Atom C of residue 421
Atom ND2 of residue 421
Atom CG of residue 421
Atom CB of residue 421
ASN
Atom N of residue 421
Atom O of residue 420
Atom C of residue 420
Atom OG of residue 420
Atom CB of residue 420
Atom CA of residue 420
SER
Atom O of residue 419
Atom C of residue 419
Atom CG of residue 419
Atom CB of residue 419
Atom CD of residue 419
Atom CA of residue 419
Atom O of residue 418
Atom C of residue 418
Atom NZ of residue 418
Atom CE of residue 418
Atom CG of residue 418
Atom CB of residue 418
Atom CA of residue 418
LYS
Atom N of residue 418
Atom CG of residue 417
HIS
Atom N of residue 417
Atom O of residue 416
Atom C of residue 416
Atom CG of residue 416
Atom CB of residue 416
ASP
Atom N of residue 416
Atom O of residue 415
Atom C of residue 415
Atom CG2 of residue 415
Atom CG1 of residue 415
Atom CB of residue 415
VAL
Atom N of residue 415
Atom O of residue 414
Atom C of residue 414
Atom OD1 of residue 414
Atom CG of residue 414
Atom N of residue 414
Atom O of residue 413
Atom C of residue 413
Atom SG of residue 413
Atom CB of residue 413
Atom N of residue 413
Atom O of residue 412
Atom CG2 of residue 412
Atom OG1 of residue 412
Atom CB of residue 412
THR
Atom O of residue 411
Atom C of residue 411
Atom OH of residue 411
Atom CZ of residue 411
Atom CE1 of residue 411
Atom CD1 of residue 411
TYR
Atom N of residue 411
Atom C of residue 410
THR
Atom O of residue 409
Atom C of residue 409
GLN
Atom N of residue 409
Atom CB of residue 408
THR
Atom N of residue 408
Atom O of residue 407
Atom C of residue 407
GLY
Atom N of residue 407
Atom O of residue 406
Atom C of residue 406
Atom CZ of residue 406
Atom CE1 of residue 406
Atom CD2 of residue 406
Atom CG of residue 406
Atom CB of residue 406
PHE
Atom N of residue 406
Atom O of residue 405
Atom CG of residue 405
Atom CA of residue 405
ASN
Atom N of residue 405
Atom O of residue 404
Atom C of residue 404
Atom OG of residue 404
Atom CA of residue 404
SER
Atom N of residue 404
Atom OG of residue 403
Atom CB of residue 403
Atom CA of residue 403
SER
Atom N of residue 403
Atom O of residue 402
Atom CD of residue 402
Atom N of residue 402
Atom O of residue 401
Atom CG1 of residue 401
VAL
Atom N of residue 401
Atom O of residue 400
Atom C of residue 400
Atom OG1 of residue 400
Atom O of residue 399
Atom CG2 of residue 399
Atom N of residue 399
Atom CG2 of residue 398
Atom CA of residue 398
Atom O of residue 397
Atom C of residue 397
SER
Atom N of residue 397
Atom O of residue 396
Atom C of residue 396
Atom OG of residue 396
Atom CB of residue 396
SER
Atom N of residue 396
Atom O of residue 395
Atom CD2 of residue 395
Atom CD1 of residue 395
Atom CG of residue 395
Atom CB of residue 395
LEU
Atom O of residue 394
Atom C of residue 394
Atom OG of residue 394
Atom CB of residue 394
SER
Atom N of residue 394
Atom C of residue 393
Atom CE2 of residue 393
Atom CE1 of residue 393
Atom CD2 of residue 393
Atom CD1 of residue 393
Atom CG of residue 393
Atom CA of residue 393
TYR
Atom N of residue 393
Atom O of residue 392
Atom CD2 of residue 392
Atom CD1 of residue 392
Atom CB of residue 392
LEU
Atom N of residue 392
Atom O of residue 391
Atom C of residue 391
Atom CA of residue 391
GLY
Atom N of residue 391
Atom O of residue 390
Atom CB of residue 390
Atom CA of residue 390
Atom N of residue 390
Atom O of residue 389
Atom C of residue 389
Atom OG of residue 389
Atom OE1 of residue 388
Atom CG of residue 388
Atom CB of residue 388
GLN
Atom O of residue 387
Atom C of residue 387
Atom CG of residue 387
Atom CB of residue 387
Atom N of residue 387
Atom O of residue 386
Atom C of residue 386
Atom CG1 of residue 386
Atom CB of residue 386
Atom CA of residue 386
VAL
Atom CB of residue 385
Atom O of residue 384
Atom CD of residue 384
Atom N of residue 384
Atom O of residue 383
Atom C of residue 383
Atom CE1 of residue 383
Atom CD1 of residue 383
PHE
Atom N of residue 383
Atom CA of residue 382
Atom N of residue 382
Atom O of residue 381
Atom CE1 of residue 381
Atom O of residue 380
Atom O of residue 379
Atom C of residue 379
GLY
Atom N of residue 379
Atom OG of residue 378
Atom CB of residue 378
SER
Atom N of residue 378
Atom O of residue 377
Atom C of residue 377
Atom CG2 of residue 377
Atom CB of residue 377
Atom CA of residue 377
THR
Atom O of residue 376
Atom C of residue 433
Atom C of residue 376
Atom CD2 of residue 376
Atom CD1 of residue 376
LEU
Atom N of residue 376
Atom O of residue 375
Atom C of residue 375
ALA
Atom N of residue 375
Atom O of residue 374
Atom C of residue 374
Atom CA of residue 374
GLY
Atom N of residue 374
Atom OG of residue 373
Atom CB of residue 373
SER
Atom O of residue 372
Atom C of residue 372
Atom CG of residue 372
Atom CB of residue 372
Atom CA of residue 372
ASN
Atom O of residue 371
Atom CH2 of residue 371
Atom CE2 of residue 371
Atom CD1 of residue 371
Atom CG of residue 371
Atom CB of residue 371
TRP
Atom N of residue 371
Atom C of residue 370
Atom OG of residue 370
Atom CB of residue 370
Atom CA of residue 370
SER
Atom N of residue 370
Atom O of residue 369
Atom CG2 of residue 369
Atom CG1 of residue 369
Atom CB of residue 369
Atom CA of residue 369
VAL
Atom O of residue 368
Atom C of residue 368
Atom CG2 of residue 368
Atom OG1 of residue 368
Atom CB of residue 368
THR
Atom OD2 of residue 425
Atom N of residue 368
Atom O of residue 367
Atom C of residue 367
Atom CG2 of residue 367
Atom CG1 of residue 367
Atom CB of residue 367
Atom CA of residue 367
VAL
Atom N of residue 367
Atom C of residue 366
Atom CG of residue 366
Atom CB of residue 366
Atom CA of residue 366
PRO
Atom N of residue 366
Atom O of residue 365
Atom C of residue 365
Atom OE1 of residue 365
Atom CD of residue 365
Atom CG of residue 365
Atom CA of residue 365
GLU
Atom N of residue 365
Atom CG2 of residue 422
Atom O of residue 364
Atom CG of residue 364
PRO
Atom N of residue 364
Atom C of residue 363
Atom CZ of residue 363
Atom CE2 of residue 363
PHE
Atom N of residue 363
Atom OH of residue 362
Atom CE2 of residue 362
Atom CD2 of residue 362
Atom CD1 of residue 362
Atom N of residue 419
Atom CG of residue 362
Atom CB of residue 362
Atom CA of residue 362
Atom C of residue 361
Atom OD2 of residue 361
Atom CB of residue 361
Atom N of residue 361
Atom CE of residue 360
Atom CB of residue 360
Atom CA of residue 360
Atom C of residue 359
Atom CA of residue 359
Atom C of residue 358
Atom CD2 of residue 358
Atom CA of residue 358
Atom C of residue 357
Atom SG of residue 357
Atom CB of residue 357
Atom N of residue 356
Atom O of residue 355
Atom N of residue 355
Atom O of residue 354
ALA
Atom CG of residue 411
ALA
Atom CB of residue 411
Atom N of residue 353
Atom C of residue 352
Atom CG2 of residue 352
Atom OG1 of residue 352
Atom CB of residue 352
Atom OG1 of residue 410
THR
Atom CB of residue 410
Atom N of residue 352
Atom CA of residue 410
Atom O of residue 351
Atom C of residue 351
Atom OG of residue 351
Atom CB of residue 351
Atom NE2 of residue 409
SER
Atom CA of residue 409
Atom OE1 of residue 350
Atom CB of residue 350
Atom CA of residue 408
Atom C of residue 349
SER
Atom CA of residue 407
Atom N of residue 349
Atom CG2 of residue 348
Atom CA of residue 348
Atom N of residue 348
Atom O of residue 347
Atom O of residue 346
Atom CZ of residue 346
Atom CB of residue 346
Atom O of residue 345
Atom C of residue 345
Atom N of residue 345
Atom CA of residue 344
Atom CA of residue 343
Atom O of residue 341
Atom C of residue 341
Atom CB of residue 341
LEU
Atom N of residue 341
Atom O of residue 340
Atom CG of residue 340
PRO
Atom N of residue 340
Atom CZ of residue 339
Atom C of residue 338
Atom CG2 of residue 338
Atom CA of residue 396
VAL
Atom OG of residue 337
Atom CA of residue 337
SER
Atom N of residue 337
Atom C of residue 336
PRO
Atom CA of residue 394
Atom N of residue 336
Atom O of residue 335
Atom C of residue 335
GLY
Atom N of residue 335
Atom O of residue 334
Atom C of residue 334
Atom NZ of residue 334
Atom CE of residue 334
Atom CD of residue 334
Atom CG of residue 334
Atom CB of residue 334
Atom CA of residue 334
LYS
Atom N of residue 334
Atom O of residue 333
Atom C of residue 333
Atom OG1 of residue 333
Atom CB of residue 333
Atom N of residue 333
Atom C of residue 332
Atom OG of residue 332
Atom CB of residue 332
Atom CA of residue 332
Atom N of residue 332
Atom O of residue 331
Atom C of residue 331
Atom CB of residue 331
ALA
Atom N of residue 331
Atom C of residue 330
Atom CB of residue 330
Atom O of residue 329
Atom C of residue 329
Atom CB of residue 329
Atom CA of residue 329
Atom CG2 of residue 328
Atom CG1 of residue 328
Atom CB of residue 328
Atom C of residue 327
Atom CG2 of residue 327
Atom CB of residue 327
THR
Atom N of residue 327
Atom C of residue 326
Atom CG2 of residue 326
Atom CA of residue 326
VAL
Atom C of residue 325
Atom CG2 of residue 325
Atom CA of residue 325
THR
Atom N of residue 325
Atom C of residue 324
Atom CG2 of residue 324
Atom OG1 of residue 324
Atom CA of residue 324
THR
Atom N of residue 323
Atom O of residue 322
Atom N of residue 321
Atom O of residue 320
Atom C of residue 320
Atom CH2 of residue 320
Atom CZ3 of residue 320
Atom CZ2 of residue 320
Atom CE3 of residue 320
Atom NE1 of residue 320
Atom CB of residue 320
Atom CA of residue 320
Atom N of residue 320
Atom O of residue 319
Atom C of residue 319
LEU
Atom N of residue 319
Atom O of residue 318
Atom C of residue 318
Atom OD1 of residue 318
Atom CG of residue 318
Atom CB of residue 318
ASP
Atom O of residue 317
Atom C of residue 317
Atom CA of residue 317
SER
Atom N of residue 317
Atom O of residue 316
Atom C of residue 316
Atom CB of residue 316
ALA
Atom O of residue 315
Atom C of residue 315
Atom CE2 of residue 315
Atom CD1 of residue 315
Atom CG of residue 315
Atom CB of residue 315
TYR
Atom N of residue 315
Atom O of residue 314
Atom C of residue 314
Atom CD2 of residue 314
PRO
Atom OE2 of residue 311
Atom CA of residue 311
Atom NH1 of residue 310
Atom CZ of residue 310
Atom NE of residue 310
Atom CG of residue 310
Atom C of residue 309
Atom CB of residue 309
Atom OH of residue 307
Atom CZ of residue 307
Atom CE1 of residue 307
Atom C of residue 306
Atom CE2 of residue 306
Atom CE1 of residue 306
Atom CD2 of residue 306
Atom CA of residue 306
Atom O of residue 305
Atom CG1 of residue 305
Atom CA of residue 305
Atom CA of residue 304
ALA
Atom CG2 of residue 303
Atom CA of residue 302
Atom CD of residue 301
Atom CG of residue 301
Atom CB of residue 301
Atom CA of residue 301
Atom O of residue 300
Atom CA of residue 300
SER
Atom CD of residue 299
Atom CG of residue 299
Atom CA of residue 299
Atom C of residue 298
Atom CB of residue 298
Atom CA of residue 298
Atom N of residue 298
Atom CA of residue 297
Atom N of residue 297
Atom CB of residue 296
Atom CA of residue 296
Atom CG of residue 295
Atom CB of residue 295
Atom CA of residue 295
LEU
Atom N of residue 295
Atom C of residue 294
Atom OE2 of residue 294
Atom OE1 of residue 294
Atom CD of residue 294
Atom CG of residue 294
Atom CB of residue 294
Atom CA of residue 294
Atom C of residue 293
Atom CE of residue 293
Atom SD of residue 293
Atom CG of residue 293
Atom CB of residue 293
Atom O of residue 444
Atom CA of residue 293
Atom O of residue 292
Atom C of residue 292
Atom OH of residue 292
Atom CZ of residue 292
Atom CD2 of residue 292
Atom CD1 of residue 292
Atom CG of residue 292
Atom CB of residue 292
Atom O of residue 291
Atom C of residue 291
Atom CG2 of residue 291
Atom CG1 of residue 291
Atom CB of residue 291
VAL
Atom N of residue 291
Atom CG2 of residue 290
Atom OG1 of residue 290
Atom CB of residue 290
Atom CA of residue 290
Atom CD2 of residue 387
THR
Atom C of residue 289
Atom OG of residue 289
Atom CA of residue 289
SER
Atom N of residue 289
Atom C of residue 288
Atom CG2 of residue 288
Atom OG1 of residue 288
Atom CA of residue 288
THR
Atom N of residue 288
Atom O of residue 287
Atom C of residue 287
Atom OG of residue 287
Atom CB of residue 287
SER
Atom N of residue 287
Atom O of residue 286
Atom OG1 of residue 286
Atom CB of residue 286
Atom CA of residue 286
THR
Atom CZ of residue 383
Atom N of residue 286
Atom CE2 of residue 383
Atom O of residue 285
Atom CG of residue 285
Atom CB of residue 285
Atom CA of residue 285
ASP
Atom N of residue 285
Atom O of residue 284
Atom C of residue 284
Atom CG2 of residue 382
Atom NH2 of residue 284
Atom NE of residue 284
Atom CD of residue 284
Atom CG of residue 284
Atom CA of residue 284
Atom CD2 of residue 381
Atom N of residue 284
Atom O of residue 283
Atom C of residue 283
Atom OG1 of residue 283
Atom CA of residue 283
THR
Atom N of residue 283
Atom O of residue 282
Atom C of residue 282
Atom CE of residue 282
Atom SD of residue 282
MET
Atom N of residue 282
Atom O of residue 281
Atom CG2 of residue 281
Atom CB of residue 281
THR
Atom N of residue 281
Atom O of residue 280
Atom C of residue 280
Atom CG1 of residue 280
Atom CA of residue 280
VAL
Atom CA of residue 434
Atom N of residue 280
Atom O of residue 279
Atom N of residue 377
Atom C of residue 279
Atom NE of residue 279
Atom CD of residue 279
ARG
Atom N of residue 279
Atom CA of residue 278
SER
Atom NZ of residue 277
Atom CE of residue 277
Atom CD of residue 277
Atom CG of residue 277
Atom C of residue 276
Atom CD2 of residue 276
Atom CD of residue 275
Atom CG of residue 275
Atom CB of residue 275
Atom CA of residue 275
Atom O of residue 274
Atom C of residue 274
Atom OE2 of residue 274
Atom CD of residue 274
GLU
Atom N of residue 274
Atom O of residue 273
Atom C of residue 273
Atom ND2 of residue 273
Atom OD1 of residue 273
Atom CB of residue 273
Atom CA of residue 273
ASN
Atom N of residue 273
Atom C of residue 272
Atom OH of residue 272
Atom CE2 of residue 272
Atom CE1 of residue 272
Atom CD1 of residue 272
Atom CG of residue 272
Atom N of residue 272
Atom O of residue 271
Atom C of residue 271
Atom ND2 of residue 271
Atom OD1 of residue 271
ASN
Atom O of residue 270
Atom CG2 of residue 270
Atom CB of residue 270
Atom CA of residue 270
Atom C of residue 364
Atom C of residue 269
Atom NH2 of residue 269
Atom CZ of residue 269
Atom NE of residue 269
Atom CB of residue 269
Atom CA of residue 269
ARG
Atom O of residue 268
Atom C of residue 268
Atom CA of residue 268
Atom C of residue 267
Atom CA of residue 267
Atom N of residue 267
Atom O of residue 266
Atom C of residue 266
Atom CE1 of residue 266
Atom CD1 of residue 266
Atom CG of residue 266
Atom CB of residue 266
Atom CA of residue 266
Atom C of residue 265
Atom CG of residue 265
Atom CB of residue 265
Atom CD of residue 265
Atom CA of residue 265
Atom O of residue 264
Atom OG of residue 264
Atom CB of residue 264
Atom CA of residue 264
Atom CG2 of residue 263
Atom CB of residue 263
Atom O of residue 262
Atom C of residue 262
Atom OE1 of residue 262
GLU
GLY
Atom O of residue 259
Atom CH2 of residue 259
Atom CZ2 of residue 259
Atom CE2 of residue 259
Atom NE1 of residue 259
Atom CG of residue 259
Atom CG of residue 258
Atom CB of residue 258
Atom CA of residue 258
Atom CA of residue 352
Atom O of residue 257
Atom C of residue 257
Atom CD2 of residue 257
Atom CD1 of residue 257
Atom CG of residue 257
Atom CB of residue 257
Atom CA of residue 351
LEU
Atom N of residue 257
Atom CA of residue 256
Atom CB of residue 409
GLY
Atom N of residue 256
Atom CG of residue 350
Atom C of residue 255
Atom NE2 of residue 255
Atom CG of residue 255
Atom CB of residue 255
Atom OG of residue 349
GLN
Atom CB of residue 349
Atom N of residue 255
Atom O of residue 254
Atom C of residue 254
Atom CA of residue 254
Atom O of residue 253
Atom CB of residue 348
Atom CG of residue 253
Atom CB of residue 253
Atom CD of residue 253
Atom CA of residue 253
Atom CD1 of residue 406
PRO
Atom C of residue 347
Atom N of residue 253
Atom CA of residue 406
Atom CB of residue 347
Atom C of residue 252
Atom CB of residue 252
Atom CA of residue 252
Atom O of residue 251
Atom NH2 of residue 346
Atom C of residue 251
Atom NH1 of residue 346
Atom NE2 of residue 251
Atom NE of residue 346
Atom CD of residue 251
Atom CD of residue 346
Atom CG of residue 251
Atom CG of residue 346
Atom CB of residue 251
GLN
ARG
Atom N of residue 251
Atom N of residue 346
Atom O of residue 250
Atom NH2 of residue 250
Atom OG of residue 345
Atom NH1 of residue 250
Atom CB of residue 345
Atom CZ of residue 250
Atom CA of residue 345
Atom NE of residue 250
Atom CD of residue 250
Atom CG of residue 250
Atom CB of residue 250
Atom CA of residue 250
Atom OG of residue 344
ARG
Atom CB of residue 344
Atom N of residue 250
Atom O of residue 249
Atom C of residue 249
Atom CG2 of residue 249
Atom CG1 of residue 249
Atom CB of residue 249
Atom CA of residue 249
Atom CB of residue 343
VAL
Atom C of residue 248
Atom CH2 of residue 248
Atom CZ3 of residue 248
Atom CZ2 of residue 248
Atom CE3 of residue 248
Atom CE2 of residue 248
Atom NE1 of residue 248
Atom CD1 of residue 248
Atom CD2 of residue 248
Atom CG of residue 248
THR
Atom CA of residue 248
TRP
Atom O of residue 247
Atom CE1 of residue 247
Atom CD2 of residue 247
Atom NE2 of residue 247
VAL
Atom CB of residue 247
Atom O of residue 398
Atom ND1 of residue 247
Atom C of residue 398
Atom O of residue 339
Atom CA of residue 247
HIS
Atom N of residue 247
Atom O of residue 246
Atom C of residue 246
VAL
Atom CE of residue 246
Atom N of residue 398
Atom SD of residue 246
Atom OG of residue 397
Atom CA of residue 246
MET
Atom N of residue 246
Atom OH of residue 245
Atom CD2 of residue 245
Atom CG of residue 245
Atom CA of residue 245
TYR
Atom N of residue 245
Atom O of residue 244
Atom OH of residue 244
Atom CZ of residue 244
Atom CD2 of residue 244
Atom CD1 of residue 244
Atom CG of residue 244
Atom CB of residue 244
Atom CA of residue 244
Atom N of residue 244
Atom OG of residue 243
Atom CA of residue 243
Atom O of residue 242
Atom OG1 of residue 242
Atom CB of residue 242
Atom N of residue 242
Atom O of residue 241
Atom C of residue 241
Atom CE2 of residue 241
Atom CE1 of residue 241
PHE
Atom O of residue 240
Atom CG2 of residue 240
THR
Atom N of residue 240
Atom C of residue 239
Atom OH of residue 239
Atom N of residue 330
Atom CZ of residue 239
Atom OG of residue 329
Atom CD2 of residue 239
Atom CD1 of residue 239
TYR
Atom N of residue 239
Atom CA of residue 238
GLY
Atom N of residue 238
Atom O of residue 237
Atom C of residue 237
Atom OG of residue 237
Atom CA of residue 237
SER
Atom N of residue 237
Atom O of residue 236
Atom C of residue 236
Atom CB of residue 236
ALA
Atom O of residue 235
Atom C of residue 235
Atom NZ of residue 235
Atom CD of residue 235
Atom CG of residue 235
Atom CB of residue 235
LYS
Atom N of residue 235
Atom O of residue 234
Atom C of residue 234
Atom SG of residue 234
Atom CB of residue 234
CYS
Atom N of residue 234
Atom C of residue 233
Atom OG of residue 233
Atom CB of residue 233
SER
Atom N of residue 233
Atom O of residue 232
Atom CG2 of residue 232
Atom CG1 of residue 232
Atom CB of residue 232
Atom CA of residue 232
VAL
Atom O of residue 231
Atom C of residue 231
Atom NZ of residue 231
Atom CD of residue 231
Atom CB of residue 231
LYS
Atom N of residue 231
Atom O of residue 230
Atom C of residue 230
Atom CG1 of residue 230
Atom CB of residue 230
Atom CA of residue 230
VAL
Atom N of residue 230
Atom O of residue 229
Atom C of residue 229
Atom OG of residue 229
Atom CB of residue 229
Atom CA of residue 229
Atom N of residue 229
Atom O of residue 228
Atom CB of residue 228
Atom CA of residue 228
Atom C of residue 227
GLY
Atom N of residue 227
Atom O of residue 226
Atom CB of residue 226
Atom CD of residue 226
Atom CA of residue 226
PRO
Atom N of residue 226
Atom O of residue 225
Atom C of residue 225
Atom NZ of residue 225
Atom CE of residue 225
Atom CD of residue 225
Atom CB of residue 225
LYS
Atom N of residue 316
Atom N of residue 225
Atom O of residue 224
Atom C of residue 224
Atom NZ of residue 224
Atom CE of residue 224
Atom CD of residue 224
Atom CG of residue 224
Atom CB of residue 224
Atom CA of residue 224
Atom N of residue 224
Atom CG1 of residue 223
Atom CB of residue 223
Atom CA of residue 223
VAL
Atom O of residue 222
Atom OE2 of residue 222
Atom CD of residue 222
Atom CB of residue 222
Atom CA of residue 222
Atom N of residue 222
Atom O of residue 221
Atom CB of residue 221
Atom CA of residue 221
Atom O of residue 220
Atom C of residue 220
GLY
Atom C of residue 219
Atom OG of residue 219
Atom CB of residue 219
Atom CA of residue 219
Atom N of residue 219
Atom O of residue 218
Atom C of residue 218
Atom NE2 of residue 218
Atom OE1 of residue 218
Atom CD of residue 218
Atom CG of residue 218
Atom CB of residue 218
Atom CA of residue 218
GLN
Atom N of residue 218
Atom O of residue 217
Atom C of residue 217
Atom CG2 of residue 217
Atom CG1 of residue 217
Atom O of residue 216
Atom CD2 of residue 216
Atom N of residue 216
Atom NE2 of residue 215
Atom CD of residue 215
Atom N of residue 215
Atom O of residue 214
Atom C of residue 214
Atom CB of residue 214
Atom N of residue 214
Atom NE2 of residue 213
Atom CD1 of residue 306
Atom CB of residue 213
Atom CA of residue 213
GLN
Atom C of residue 212
Atom OG of residue 212
Atom CB of residue 212
Atom CA of residue 212
Atom O of residue 211
Atom C of residue 211
Atom OE2 of residue 211
Atom CG of residue 211
Atom CB of residue 211
Atom CA of residue 211
Atom N of residue 211
Atom C of residue 210
Atom C of residue 209
Atom NH2 of residue 209
Atom NE of residue 209
Atom CB of residue 209
Atom CA of residue 209
ARG
Atom ND2 of residue 208
Atom CG of residue 208
Atom CB of residue 208
Atom CA of residue 208
Atom C of residue 207
Atom CZ of residue 207
Atom CE2 of residue 207
Atom CE1 of residue 207
Atom CD1 of residue 207
Atom CG of residue 207
Atom CB of residue 207
Atom CA of residue 207
Atom N of residue 207
Atom O of residue 206
Atom C of residue 206
Atom OG of residue 206
Atom CB of residue 206
SER
Atom N of residue 206
Atom O of residue 205
Atom C of residue 205
Atom NZ of residue 205
Atom O of residue 204
Atom CG2 of residue 204
Atom OG1 of residue 204
Atom CB of residue 204
Atom N of residue 204
Atom O of residue 203
Atom C of residue 203
Atom CB of residue 203
Atom O of residue 202
Atom C of residue 202
Atom CG of residue 202
Atom CB of residue 202
Atom CD of residue 202
Atom C of residue 201
Atom OG of residue 201
Atom CB of residue 201
Atom CA of residue 201
Atom C of residue 200
Atom OG of residue 200
Atom CB of residue 200
Atom CA of residue 200
Atom N of residue 200
Atom O of residue 199
Atom C of residue 199
Atom CD1 of residue 199
Atom CG of residue 199
Atom CB of residue 199
Atom CE1 of residue 292
Atom CA of residue 199
Atom O of residue 198
GLY
Atom C of residue 197
Atom NE2 of residue 197
Atom CB of residue 197
Atom CA of residue 197
Atom O of residue 196
Atom CE1 of residue 196
Atom CD2 of residue 196
Atom NE2 of residue 196
Atom CB of residue 196
Atom CG of residue 196
Atom ND1 of residue 196
Atom CA of residue 196
HIS
Atom O of residue 195
Atom C of residue 195
Atom CG2 of residue 195
Atom OG1 of residue 195
Atom CB of residue 195
Atom CA of residue 195
THR
Atom N of residue 195
Atom C of residue 194
Atom CG2 of residue 194
Atom CG1 of residue 194
Atom NE2 of residue 440
Atom CB of residue 194
Atom CA of residue 194
Atom N of residue 194
Atom O of residue 193
Atom C of residue 193
Atom OE2 of residue 193
Atom CG2 of residue 286
Atom OE1 of residue 193
Atom CD of residue 193
Atom CG of residue 193
Atom CB of residue 193
Atom CA of residue 193
GLU
Atom N of residue 193
Atom O of residue 192
Atom C of residue 192
Atom SG of residue 192
Atom CB of residue 192
Atom CA of residue 192
CYS
Atom N of residue 192
Atom O of residue 191
Atom C of residue 191
Atom CB of residue 191
Atom CA of residue 191
Atom CZ of residue 284
Atom N of residue 191
Atom O of residue 190
Atom C of residue 190
Atom CB of residue 284
Atom CZ of residue 190
Atom CE2 of residue 190
Atom CE1 of residue 190
Atom CD1 of residue 190
Atom CG of residue 190
Atom CA of residue 190
Atom CB of residue 283
TYR
Atom N of residue 190
Atom O of residue 189
Atom C of residue 189
Atom CG1 of residue 189
Atom CB of residue 189
Atom CA of residue 189
Atom CG of residue 282
VAL
Atom CA of residue 282
Atom O of residue 188
Atom NZ of residue 188
Atom CE of residue 188
Atom CD of residue 188
Atom CG of residue 188
Atom CA of residue 188
Atom CA of residue 281
LYS
Atom N of residue 188
Atom C of residue 187
Atom NE2 of residue 187
Atom CB of residue 187
Atom ND1 of residue 187
Atom CA of residue 187
HIS
Atom O of residue 186
Atom C of residue 186
Atom NZ of residue 186
Atom CG of residue 376
Atom CE of residue 186
Atom N of residue 433
Atom CB of residue 376
Atom CD of residue 186
Atom O of residue 432
Atom CG of residue 186
Atom CA of residue 186
LYS
Atom CB of residue 375
Atom O of residue 185
Atom O of residue 431
Atom C of residue 185
Atom OE2 of residue 185
Atom OE1 of residue 185
Atom CD of residue 431
Atom CG of residue 185
Atom CG of residue 431
Atom CB of residue 185
Atom CA of residue 185
GLU
LYS
Atom N of residue 185
Atom N of residue 431
Atom O of residue 184
Atom O of residue 430
Atom C of residue 184
Atom C of residue 430
Atom OH of residue 184
Atom NH2 of residue 430
Atom CZ of residue 184
Atom NH1 of residue 430
Atom CE2 of residue 184
Atom CZ of residue 430
Atom CE1 of residue 184
Atom CD of residue 430
Atom CD1 of residue 184
Atom CG of residue 430
Atom CG of residue 184
Atom CB of residue 430
Atom CB of residue 184
Atom CA of residue 430
Atom CA of residue 184
ARG
TYR
Atom N of residue 184
Atom C of residue 183
Atom OD2 of residue 183
Atom OD1 of residue 183
Atom CG of residue 183
Atom CB of residue 183
Atom CB of residue 429
Atom CA of residue 183
ASP
GLU
Atom N of residue 183
Atom N of residue 429
Atom O of residue 182
Atom CB of residue 182
Atom CG2 of residue 428
Atom CA of residue 182
ALA
Atom N of residue 182
Atom O of residue 181
VAL
Atom C of residue 181
Atom N of residue 428
Atom NZ of residue 181
Atom CE of residue 181
Atom CD of residue 181
Atom OG1 of residue 427
Atom CB of residue 181
Atom CA of residue 181
LYS
Atom O of residue 426
Atom C of residue 180
Atom NZ of residue 426
Atom CB of residue 180
Atom N of residue 180
Atom O of residue 179
Atom C of residue 179
Atom CD2 of residue 179
Atom N of residue 426
Atom CD1 of residue 179
Atom O of residue 425
Atom CG of residue 179
Atom C of residue 425
Atom CB of residue 179
LEU
Atom N of residue 179
Atom C of residue 178
Atom CG2 of residue 178
Atom N of residue 425
Atom OG1 of residue 178
Atom O of residue 424
Atom CB of residue 178
Atom C of residue 424
Atom CA of residue 178
Atom O of residue 177
Atom C of residue 177
VAL
Atom CD2 of residue 177
Atom CD1 of residue 177
Atom CG of residue 177
Atom CB of residue 177
Atom NZ of residue 423
Atom CA of residue 177
Atom N of residue 177
Atom O of residue 176
Atom C of residue 176
Atom CG2 of residue 176
Atom OG1 of residue 176
Atom CB of residue 176
Atom O of residue 422
Atom CA of residue 176
THR
Atom N of residue 176
Atom O of residue 175
Atom C of residue 175
Atom OG of residue 175
Atom CB of residue 175
Atom N of residue 422
Atom CA of residue 175
Atom CA of residue 364
SER
Atom N of residue 175
Atom O of residue 174
Atom C of residue 174
Atom CB of residue 174
Atom CA of residue 174
SER
Atom CD2 of residue 363
Atom N of residue 174
Atom CD1 of residue 363
Atom O of residue 173
Atom CD2 of residue 173
Atom CA of residue 363
Atom CD1 of residue 173
Atom CG of residue 173
Atom N of residue 420
Atom CA of residue 173
LEU
Atom O of residue 172
Atom C of residue 172
Atom CE2 of residue 266
Atom OG of residue 172
PRO
Atom CD2 of residue 266
Atom CA of residue 172
Atom N of residue 172
Atom O of residue 171
Atom OH of residue 171
Atom CZ of residue 171
Atom CE2 of residue 171
Atom CD2 of residue 171
Atom CD1 of residue 171
Atom O of residue 417
Atom CA of residue 361
Atom CB of residue 171
TYR
Atom C of residue 170
Atom CG2 of residue 170
Atom CG of residue 360
Atom CB of residue 170
Atom CA of residue 170
THR
Atom O of residue 169
Atom CG1 of residue 263
Atom C of residue 169
Atom OG of residue 169
Atom CA of residue 169
SER
Atom C of residue 168
Atom OD2 of residue 168
Atom CG of residue 168
Atom CD1 of residue 358
Atom CB of residue 168
Atom CA of residue 168
Atom N of residue 168
Atom O of residue 167
Atom C of residue 167
Atom CE of residue 167
Atom CD of residue 167
ASN
Atom CA of residue 167
LYS
Atom N of residue 167
Atom O of residue 166
Atom C of residue 166
Atom OG of residue 166
Atom CB of residue 166
CYS
Atom CA of residue 166
Atom N of residue 166
Atom O of residue 165
Atom C of residue 165
Atom OD2 of residue 165
Atom OD1 of residue 165
Atom CG of residue 165
Atom CB of residue 165
Atom N of residue 412
Atom CA of residue 165
Atom CD2 of residue 259
ASP
Atom O of residue 164
Atom OE1 of residue 164
Atom CD of residue 164
Atom CG of residue 164
Atom CB of residue 164
Atom CA of residue 164
Atom O of residue 163
Atom O of residue 410
Atom C of residue 163
Atom OE1 of residue 163
Atom CD of residue 163
Atom CG of residue 163
Atom CB of residue 163
Atom CA of residue 163
GLU
Atom N of residue 163
Atom CA of residue 257
Atom O of residue 162
Atom C of residue 162
Atom CG2 of residue 162
Atom OG1 of residue 162
Atom CB of residue 162
THR
Atom N of residue 162
Atom O of residue 408
Atom C of residue 161
Atom CG2 of residue 161
Atom CG1 of residue 161
Atom CB of residue 161
VAL
Atom CA of residue 255
Atom N of residue 161
Atom O of residue 160
Atom C of residue 160
Atom OG of residue 160
Atom CB of residue 160
Atom C of residue 348
Atom N of residue 160
Atom C of residue 159
Atom OE2 of residue 159
GLU
Atom O of residue 158
Atom CA of residue 158
Atom O of residue 157
Atom CA of residue 157
SER
Atom C of residue 156
ASN
Atom N of residue 156
Atom N of residue 221
Atom O of residue 155
Atom CB of residue 402
Atom N of residue 155
Atom O of residue 343
Atom O of residue 154
Atom CA of residue 402
Atom C of residue 154
Atom OG of residue 154
Atom CB of residue 154
Atom CD of residue 343
Atom N of residue 249
Atom CA of residue 154
Atom CG of residue 153
Atom CB of residue 153
Atom CA of residue 153
Atom CA of residue 400
Atom O of residue 152
Atom C of residue 152
Atom N of residue 248
Atom CD2 of residue 152
Atom CG of residue 152
Atom CB of residue 152
Atom CA of residue 152
Atom CA of residue 151
Atom CE2 of residue 339
Atom O of residue 150
Atom CE1 of residue 339
Atom C of residue 150
Atom CG of residue 339
Atom CG of residue 150
Atom CB of residue 339
Atom CB of residue 150
PHE
ASN
Atom CA of residue 397
Atom N of residue 339
Atom N of residue 150
Atom O of residue 338
Atom O of residue 149
Atom C of residue 149
Atom CB of residue 338
Atom CG of residue 149
Atom CB of residue 149
Atom N of residue 338
ASP
Atom N of residue 149
Atom O of residue 148
Atom CB of residue 337
Atom CG2 of residue 148
Atom CG1 of residue 148
Atom CB of residue 148
Atom CA of residue 395
Atom O of residue 336
VAL
Atom CG of residue 336
Atom O of residue 147
Atom CB of residue 336
Atom C of residue 147
Atom CD of residue 336
Atom NZ of residue 147
Atom CD of residue 147
Atom CB of residue 147
Atom CA of residue 147
Atom CA of residue 335
LYS
Atom N of residue 147
Atom O of residue 146
Atom CE3 of residue 146
Atom CE2 of residue 146
Atom CD1 of residue 146
Atom CG2 of residue 333
TRP
Atom N of residue 146
Atom O of residue 145
Atom C of residue 145
Atom NE2 of residue 145
Atom CD of residue 145
Atom CB of residue 145
GLN
Atom N of residue 145
Atom CG1 of residue 144
VAL
Atom N of residue 144
Atom NZ of residue 143
Atom CE of residue 143
LYS
Atom N of residue 143
Atom O of residue 142
Atom C of residue 142
Atom CA of residue 142
ALA
Atom OE2 of residue 141
Atom N of residue 328
Atom OE1 of residue 141
Atom O of residue 327
Atom CD of residue 141
Atom CG of residue 141
Atom CB of residue 141
GLU
Atom N of residue 141
Atom C of residue 140
Atom NH1 of residue 140
Atom CZ of residue 140
Atom CG1 of residue 326
Atom NE of residue 140
Atom CB of residue 326
Atom CD of residue 140
Atom CG of residue 140
Atom CB of residue 140
Atom CA of residue 140
Atom OG1 of residue 325
Atom C of residue 139
Atom CB of residue 325
Atom CG of residue 139
Atom CD of residue 139
Atom CA of residue 139
Atom CZ of residue 138
Atom CE1 of residue 138
Atom CD2 of residue 138
Atom CD1 of residue 138
Atom CG of residue 138
Atom CB of residue 138
Atom CA of residue 138
Atom CZ of residue 137
Atom CE2 of residue 137
Atom CE1 of residue 137
Atom CD2 of residue 137
Atom CD1 of residue 137
Atom C of residue 136
Atom ND2 of residue 136
Atom CA of residue 136
Atom CD1 of residue 320
Atom O of residue 135
Atom C of residue 135
Atom CG of residue 135
Atom CA of residue 135
Atom C of residue 134
Atom CD1 of residue 134
Atom CG of residue 134
Atom CD2 of residue 133
Atom CB of residue 133
Atom NE2 of residue 413
Atom CA of residue 133
Atom O of residue 131
Atom CG2 of residue 131
VAL
Atom C of residue 130
Atom CB of residue 507
Atom CG2 of residue 130
Atom CA of residue 507
Atom CA of residue 130
Atom N of residue 612
Atom N of residue 130
Atom NZ of residue 506
Atom O of residue 129
Atom CE of residue 506
Atom CB of residue 84
Atom C of residue 129
Atom CG2 of residue 202
Atom CD of residue 506
Atom OG of residue 129
Atom CB of residue 506
Atom CA of residue 129
Atom N of residue 506
Atom CB of residue 128
Atom CG2 of residue 610
Atom CA of residue 128
Atom O of residue 34
Atom CG2 of residue 127
Atom OG1 of residue 127
Atom CA of residue 504
Atom N of residue 610
Atom CB of residue 127
Atom NE of residue 312
Atom CA of residue 155
Atom C of residue 200
Atom CG of residue 503
Atom CA of residue 126
ARG
Atom N of residue 126
ARG
GLN
Atom O of residue 305
Atom OG of residue 125
Atom C of residue 305
Atom CB of residue 125
Atom O of residue 311
Atom NE of residue 199
Atom CA of residue 305
Atom CB of residue 502
Atom CA of residue 125
ALA
SER
ALA
Atom C of residue 124
Atom CG of residue 304
Atom NZ of residue 124
Atom CE of residue 124
ARG
Atom OE1 of residue 501
Atom CD of residue 124
Atom N of residue 311
Atom O of residue 198
Atom CA of residue 304
Atom CB of residue 124
Atom CB of residue 501
Atom CA of residue 124
LYS
GLY
Atom N of residue 124
Atom O of residue 123
Atom CZ of residue 303
Atom C of residue 123
Atom CE of residue 500
Atom CD of residue 197
Atom CD1 of residue 123
Atom CG of residue 303
Atom SD of residue 500
Atom CG of residue 123
Atom CB of residue 303
Atom CB of residue 123
Atom O of residue 197
Atom CB of residue 500
Atom CA of residue 123
LEU
GLU
Atom O of residue 122
Atom CB of residue 302
Atom O of residue 196
Atom NE of residue 499
Atom CB of residue 122
Atom C of residue 308
Atom CD of residue 604
Atom CA of residue 122
Atom N of residue 122
Atom O of residue 121
Atom C of residue 499
PRO
Atom C of residue 121
Atom N of residue 308
Atom OE1 of residue 195
Atom SG of residue 301
Atom OE2 of residue 121
PRO
Atom OE1 of residue 121
Atom CG of residue 195
Atom CD of residue 121
Atom CB of residue 195
Atom CG of residue 121
Atom O of residue 195
Atom CA of residue 301
Atom OE1 of residue 498
Atom CB of residue 121
Atom C of residue 603
Atom CA of residue 121
Atom C of residue 300
Atom C of residue 120
Atom CB of residue 307
Atom CG1 of residue 214
Atom OD2 of residue 120
Atom CZ of residue 194
GLU
Atom OD1 of residue 120
TYR
Atom NE of residue 194
Atom N of residue 498
Atom CG of residue 120
Atom N of residue 307
VAL
Atom CD of residue 194
Atom O of residue 497
Atom CB of residue 120
Atom O of residue 119
ARG
Atom OG of residue 119
Atom CZ of residue 496
Atom CB of residue 119
Atom CG of residue 118
Atom CB of residue 118
ARG
Atom CD of residue 118
Atom CA of residue 118
Atom CG of residue 117
Atom CB of residue 117
Atom CD of residue 117
Atom CA of residue 117
Atom SD of residue 398
Atom CE2 of residue 116
Atom CD1 of residue 116
Atom CA of residue 116
PHE
Atom CG of residue 190
Atom O of residue 115
ALA
GLY
Atom CG1 of residue 115
Atom O of residue 301
Atom O of residue 396
Atom CB of residue 492
Atom CA of residue 115
ILE
Atom N of residue 92
Atom CE1 of residue 114
GLU
Atom CZ of residue 491
Atom CB of residue 395
Atom CD2 of residue 114
Atom C of residue 395
Atom CD of residue 491
Atom CG of residue 114
Atom CG1 of residue 113
Atom CB of residue 113
Atom NH1 of residue 299
Atom O of residue 490
Atom CA of residue 113
Atom C of residue 393
VAL
Atom N of residue 490
Atom C of residue 112
Atom OG of residue 112
Atom O of residue 392
SER
Atom C of residue 392
Atom N of residue 112
Atom O of residue 111
Atom C of residue 111
Atom CG of residue 111
Atom CB of residue 111
Atom ND1 of residue 391
PRO
Atom C of residue 391
Atom CB of residue 110
HIS
ALA
Atom C of residue 389
Atom CG2 of residue 108
Atom CG1 of residue 108
Atom CB of residue 108
Atom C of residue 107
Atom OG1 of residue 107
Atom CG of residue 85
Atom N of residue 107
Atom CB of residue 85
Atom O of residue 106
Atom NH2 of residue 106
Atom NE of residue 106
Atom CB of residue 84
ARG
Atom N of residue 106
TYR
Atom CG1 of residue 104
Atom OE1 of residue 481
Atom CA of residue 104
Atom CB of residue 10
Atom N of residue 104
Atom C of residue 103
Atom NE2 of residue 388
Atom OE2 of residue 103
Atom CA of residue 388
Atom CG of residue 103
Atom O of residue 102
Atom CD1 of residue 387
Atom C of residue 102
ASP
Atom CD1 of residue 102
Atom CA of residue 387
Atom N of residue 480
Atom CG of residue 102
Atom CA of residue 192
PRO
Atom NZ of residue 101
Atom C of residue 478
Atom CB of residue 101
Atom CB of residue 100
Atom O of residue 439
Atom CA of residue 384
Atom CB of residue 167
Atom NH2 of residue 476
Atom N of residue 100
Atom O of residue 167
Atom O of residue 99
Atom CD2 of residue 383
Atom OD2 of residue 285
Atom NE2 of residue 98
Atom O of residue 475
Atom CA of residue 98
Atom CZ of residue 96
Atom CZ3 of residue 72
Atom CD2 of residue 96
PHE
Atom O of residue 164
Atom C of residue 95
Atom N of residue 380
Atom O of residue 94
Atom C of residue 163
Atom NH2 of residue 94
Atom CA of residue 379
Atom NH1 of residue 94
PRO
HG
Atom CZ of residue 94
Atom NE of residue 94
Atom OG1 of residue 162
Atom CG of residue 94
Atom NH1 of residue 682
Atom CB of residue 162
Atom CB of residue 94
LYS
Atom CA of residue 94
Atom CA of residue 378
ARG
THR
Atom O of residue 93
Atom N of residue 162
Atom C of residue 93
Atom CD1 of residue 161
Atom CH2 of residue 93
ALA
Atom CE3 of residue 93
Atom N of residue 371
Atom CE2 of residue 93
Atom C of residue 161
Atom NE1 of residue 93
Atom CD2 of residue 93
Atom N of residue 161
Atom CG of residue 93
Atom N of residue 101
Atom CB of residue 93
TRP
Atom N of residue 93
Atom O of residue 92
Atom C of residue 92
Atom CD1 of residue 92
Atom O of residue 278
Atom CG of residue 92
Atom C of residue 278
Atom CB of residue 92
LEU
Atom N of residue 92
Atom C of residue 277
Atom CB of residue 91
SER
Atom N of residue 91
Atom O of residue 90
Atom CE2 of residue 90
Atom CA of residue 90
Atom C of residue 89
Atom CE3 of residue 371
Atom NE of residue 89
Atom CG of residue 155
Atom CG of residue 88
Atom CB of residue 155
Atom CB of residue 88
Atom CG of residue 181
Atom N of residue 265
GLN
Atom CE1 of residue 553
Atom O of residue 87
Atom C of residue 87
Atom CA of residue 102
Atom NE2 of residue 87
Atom CB of residue 87
Atom CE3 of residue 33
Atom CA of residue 87
GLN
Atom SG of residue 86
Atom OG1 of residue 203
Atom CD1 of residue 85
Atom CG of residue 85
Atom C of residue 612
Atom CA of residue 85
Atom CG of residue 364
Atom N of residue 89
TYR
Atom O of residue 223
Atom C of residue 84
Atom OE1 of residue 36
Atom OH of residue 84
Atom CZ of residue 84
Atom NH1 of residue 105
Atom CE2 of residue 84
VAL
Atom CE1 of residue 84
Atom CE1 of residue 557
Atom CG of residue 84
Atom O of residue 370
Atom OE1 of residue 88
Atom CD2 of residue 557
Atom CA of residue 84
Atom O of residue 83
Atom CG of residue 105
Atom CG2 of residue 83
Atom N of residue 223
Atom CA of residue 83
Atom O of residue 105
Atom N of residue 83
Atom C of residue 82
Atom CB of residue 82
ARG
Atom O of residue 81
Atom N of residue 314
Atom CB of residue 307
Atom C of residue 81
Atom N of residue 105
Atom CG1 of residue 81
Atom NH2 of residue 104
Atom CB of residue 81
Atom CG of residue 222
ILE
Atom N of residue 81
Atom OD1 of residue 80
Atom CG of residue 80
GLU
Atom CB of residue 80
Atom C of residue 610
Atom CA of residue 80
Atom N of residue 80
Atom C of residue 79
Atom OE2 of residue 79
GLU
Atom N of residue 79
Atom O of residue 78
Atom CD1 of residue 361
Atom CD of residue 78
Atom CD2 of residue 65
ILE
Atom CA of residue 78
Atom C of residue 103
Atom C of residue 77
Atom OE1 of residue 77
Atom C of residue 642
Atom CG of residue 77
Atom CA of residue 339
Atom CB of residue 77
Atom CB of residue 404
Atom CD2 of residue 436
Atom CA of residue 77
Atom O of residue 76
Atom CA of residue 351
Atom C of residue 76
Atom CG of residue 76
Atom CB of residue 76
Atom CA of residue 76
LEU
Atom N of residue 76
Atom C of residue 75
Atom OG of residue 75
Atom CB of residue 75
SER
Atom CD2 of residue 142
Atom N of residue 75
Atom C of residue 74
Atom OG of residue 74
GLY
Atom CB of residue 74
Atom N of residue 74
Atom O of residue 73
Atom C of residue 412
Atom C of residue 73
Atom CD1 of residue 73
Atom CG1 of residue 73
Atom CG2 of residue 73
Atom CA of residue 73
Atom N of residue 73
Atom O of residue 72
SER
Atom OG1 of residue 72
THR
Atom N of residue 72
Atom O of residue 71
LEU
Atom CE2 of residue 71
Atom CB of residue 71
PHE
Atom N of residue 442
Atom CB of residue 70
THR
Atom C of residue 408
Atom CE2 of residue 69
Atom O of residue 243
Atom CD2 of residue 69
LYS
Atom CB of residue 440
Atom CB of residue 69
PHE
Atom N of residue 69
Atom OE1 of residue 90
Atom C of residue 113
Atom CA of residue 160
Atom C of residue 68
Atom OD2 of residue 68
Atom N of residue 242
Atom OD1 of residue 68
Atom CG of residue 439
Atom CG of residue 68
Atom CB of residue 439
Atom CB of residue 68
Atom CB of residue 241
Atom CA of residue 68
Atom OE1 of residue 159
ASP
Atom CD of residue 159
Atom N of residue 68
Atom CG of residue 159
ASN
Atom O of residue 67
VAL
Atom C of residue 67
Atom O of residue 240
Atom CG of residue 438
Atom OG1 of residue 67
Atom C of residue 240
Atom CB of residue 438
Atom CB of residue 67
GLY
THR
Atom N of residue 66
Atom CA of residue 65
Atom O of residue 63
Atom CA of residue 63
SER
Atom C of residue 62
Atom O of residue 61
Atom CB of residue 61
Atom CZ of residue 60
Atom CG of residue 106
Atom CE1 of residue 60
Atom CG of residue 246
CYS
Atom O of residue 58
Atom CB of residue 246
Atom N of residue 635
Atom C of residue 58
Atom CA of residue 634
Atom CA of residue 58
Atom CA of residue 56
Atom O of residue 55
GLY
Atom N of residue 55
Atom O of residue 54
Atom N of residue 631
Atom CE3 of residue 428
Atom OG1 of residue 54
Atom OH of residue 393
Atom O of residue 243
Atom CB of residue 54
Atom C of residue 146
Atom C of residue 227
THR
Atom N of residue 54
Atom CZ3 of residue 146
Atom O of residue 53
Atom OH of residue 53
Atom CD1 of residue 630
Atom CZ of residue 53
Atom C of residue 242
Atom NE1 of residue 146
Atom CE2 of residue 53
Atom CG2 of residue 242
Atom CE1 of residue 53
Atom CD2 of residue 53
Atom CD1 of residue 53
ARG
GLY
Atom CA of residue 242
Atom CG of residue 53
TRP
Atom CB of residue 53
TYR
Atom N of residue 53
Atom CZ of residue 241
Atom O of residue 52
Atom NH2 of residue 52
Atom NH1 of residue 52
Atom CD1 of residue 241
Atom OE1 of residue 628
Atom CZ of residue 52
GLN
Atom NE of residue 52
Atom N of residue 98
Atom CG of residue 628
Atom CD of residue 52
Atom C of residue 382
Atom O of residue 97
Atom CA of residue 241
Atom CB of residue 628
Atom CG of residue 52
TYR
Atom C of residue 97
Atom O of residue 628
Atom CG of residue 120
Atom CB of residue 52
Atom CA of residue 97
Atom CA of residue 52
GLY
ARG
Atom N of residue 97
Atom C of residue 240
GLU
Atom N of residue 52
THR
Atom O of residue 96
Atom O of residue 51
Atom OG1 of residue 240
PRO
Atom C of residue 51
Atom C of residue 381
Atom CE2 of residue 96
SER
Atom O of residue 330
Atom CZ of residue 51
Atom CE2 of residue 51
Atom OG of residue 330
Atom CE1 of residue 51
Atom NE2 of residue 381
Atom CD1 of residue 96
Atom O of residue 627
Atom CD2 of residue 51
Atom CB of residue 381
Atom CE3 of residue 72
Atom CG of residue 96
Atom C of residue 627
Atom CD1 of residue 51
Atom CA of residue 119
Atom CB of residue 51
HIS
Atom N of residue 96
TYR
Atom NE2 of residue 565
Atom CG2 of residue 95
Atom C of residue 626
Atom C of residue 50
Atom CG1 of residue 380
PRO
Atom CB of residue 95
Atom CA of residue 239
Atom CB of residue 50
Atom N of residue 49
Atom CB of residue 48
Atom N of residue 624
SER
Atom O of residue 47
Atom CA of residue 236
Atom C of residue 47
ASP
Atom CE2 of residue 47
Atom N of residue 116
Atom CE1 of residue 47
Atom CD2 of residue 47
Atom CD1 of residue 47
Atom CG of residue 47
Atom CB of residue 47
Atom C of residue 46
Atom CD1 of residue 46
PHE
Atom CG1 of residue 46
Atom CB of residue 46
Atom CG1 of residue 114
Atom CA of residue 46
Atom CZ of residue 515
Atom O of residue 45
Atom C of residue 45
Atom C of residue 91
Atom CD2 of residue 45
Atom CG of residue 45
Atom CB of residue 45
Atom N of residue 211
Atom CD2 of residue 113
Atom CA of residue 45
Atom N of residue 45
Atom O of residue 44
Atom CZ of residue 90
Atom CD2 of residue 44
Atom CD2 of residue 112
Atom CA of residue 44
Atom ND2 of residue 513
Atom O of residue 43
Atom C of residue 43
Atom CE of residue 43
LEU
Atom CD of residue 43
Atom O of residue 42
ILE
Atom CB of residue 42
ALA
Atom CD of residue 42
Atom O of residue 41
Atom C of residue 41
Atom CA of residue 41
Atom N of residue 41
Atom CA of residue 611
ALA
Atom N of residue 511
Atom C of residue 40
Atom NZ of residue 40
Atom CE of residue 40
Atom CA of residue 134
Atom CG2 of residue 615
Atom CD of residue 40
Atom CA of residue 40
Atom CB of residue 509
Atom O of residue 132
Atom C of residue 38
Atom C of residue 509
Atom SG of residue 132
Atom CB of residue 38
Atom CE1 of residue 613
Atom CB of residue 132
Atom CD of residue 38
Atom CA of residue 132
Atom CA of residue 38
Atom N of residue 509
Atom ND1 of residue 613
CYS
PRO
Atom N of residue 38
Atom NH1 of residue 412
Atom O of residue 37
Atom CA of residue 608
Atom OE1 of residue 87
Atom CB of residue 131
Atom CE of residue 37
Atom CD of residue 37
Atom CA of residue 131
Atom N of residue 508
Atom CG of residue 37
Atom CA of residue 37
Atom CE1 of residue 315
LYS
Atom CE2 of residue 85
Atom N of residue 37
Atom CG1 of residue 130
Atom O of residue 507
Atom O of residue 36
Atom C of residue 36
Atom NE2 of residue 36
Atom CD of residue 36
Atom CD1 of residue 84
Atom CG of residue 36
Atom CB of residue 36
Atom CA of residue 36
Atom CB of residue 129
Atom C of residue 83
GLN
Atom O of residue 506
Atom O of residue 35
Atom OE1 of residue 35
Atom N of residue 611
Atom CD of residue 35
Atom CG of residue 35
Atom CB of residue 35
ALA
Atom CA of residue 35
GLN
Atom N of residue 35
Atom C of residue 34
Atom C of residue 221
Atom OH of residue 34
Atom CE2 of residue 34
Atom CD2 of residue 34
Atom CD1 of residue 34
GLY
Atom CB of residue 34
TYR
Atom O of residue 33
Atom C of residue 502
Atom CZ2 of residue 33
SER
Atom N of residue 488
Atom CA of residue 33
Atom O of residue 32
Atom CB of residue 32
Atom CD1 of residue 31
Atom CB of residue 31
Atom N of residue 31
Atom N of residue 99
Atom C of residue 30
Atom CA of residue 30
Atom O of residue 98
Atom O of residue 29
Atom OG of residue 29
Atom CA of residue 29
Atom NE of residue 97
Atom C of residue 28
Atom CB of residue 28
Atom CB of residue 97
Atom CA of residue 28
Atom N of residue 97
Atom CD1 of residue 27
Atom CB of residue 27
Atom NE of residue 96
Atom CA of residue 27
Atom CA of residue 26
Atom NE2 of residue 25
Atom OE1 of residue 25
Atom CD of residue 25
Atom CG of residue 25
Atom CB of residue 25
Atom CA of residue 25
GLN
Atom O of residue 24
Atom C of residue 24
Atom OG of residue 24
Atom CE1 of residue 116
Atom C of residue 191
Atom N of residue 24
Atom C of residue 23
Atom CB of residue 23
Atom OD1 of residue 302
Atom O of residue 397
Atom O of residue 493
Atom C of residue 22
Atom CB of residue 190
Atom C of residue 115
Atom NH2 of residue 22
Atom CZ of residue 22
Atom CB of residue 22
Atom N of residue 70
Atom CA of residue 22
Atom CG1 of residue 189
Atom O of residue 114
Atom C of residue 114
ARG
Atom N of residue 22
Atom C of residue 189
Atom O of residue 21
Atom CG2 of residue 395
Atom NH2 of residue 491
Atom CE2 of residue 114
Atom NH1 of residue 491
Atom C of residue 21
Atom CB of residue 21
Atom N of residue 301
Atom O of residue 395
Atom NE of residue 491
Atom CD1 of residue 114
Atom CA of residue 21
Atom CB of residue 293
CYS
Atom N of residue 395
PHE
Atom CA of residue 293
Atom C of residue 20
Atom CG2 of residue 187
Atom CB of residue 20
Atom O of residue 299
Atom N of residue 491
Atom CG2 of residue 113
Atom C of residue 299
Atom CA of residue 20
Atom CA of residue 292
THR
Atom CB of residue 19
Atom CA of residue 206
Atom N of residue 19
Atom C of residue 18
Atom CG2 of residue 18
Atom N of residue 186
Atom OG1 of residue 18
Atom CB of residue 18
Atom CE1 of residue 391
Atom CD of residue 111
Atom CA of residue 18
Atom CD of residue 205
THR
Atom CG of residue 205
Atom N of residue 18
Atom CA of residue 205
Atom C of residue 185
Atom C of residue 17
Atom CA of residue 17
Atom N of residue 391
Atom N of residue 110
Atom NE2 of residue 591
VAL
Atom O of residue 390
Atom C of residue 109
Atom O of residue 16
Atom C of residue 16
Atom CZ of residue 16
Atom CB of residue 16
Atom OD2 of residue 15
Atom CB of residue 15
ASP
Atom N of residue 15
Atom C of residue 14
Atom CA of residue 85
Atom NH1 of residue 106
GLY
Atom CZ of residue 106
Atom N of residue 14
Atom O of residue 13
LEU
Atom CD of residue 106
Atom CE2 of residue 60
Atom C of residue 13
Atom CD2 of residue 483
Atom CB of residue 106
Atom CG1 of residue 13
Atom CB of residue 13
VAL
Atom N of residue 13
Atom O of residue 556
Atom OG of residue 12
Atom CB of residue 12
SER
Atom CZ of residue 59
Atom N of residue 12
Atom O of residue 83
Atom N of residue 105
Atom C of residue 11
Atom C of residue 83
Atom O of residue 104
Atom CB of residue 11
Atom N of residue 11
Atom C of residue 10
Atom OG of residue 10
Atom O of residue 388
ILE
Atom C of residue 9
LEU
Atom CD2 of residue 9
Atom N of residue 80
Atom CG of residue 9
Atom CB of residue 9
Atom CA of residue 9
Atom CG of residue 632
Atom CG2 of residue 56
Atom O of residue 441
Atom OG of residue 8
Atom CB of residue 632
Atom CG1 of residue 56
LEU
Atom CB of residue 8
Atom O of residue 279
Atom O of residue 7
Atom OG of residue 7
Atom OG1 of residue 631
Atom CA of residue 55
GLY
Atom CB of residue 7
Atom NE1 of residue 428
Atom CA of residue 54
Atom N of residue 385
Atom NH2 of residue 167
Atom CD of residue 6
Atom CA of residue 6
Atom CG of residue 440
PRO
Atom O of residue 5
Atom N of residue 5
Atom C of residue 98
Atom NE2 of residue 4
VAL
Atom OE1 of residue 4
Atom CD of residue 567
Atom CA of residue 4
Atom O of residue 377
GLN
Atom NE2 of residue 275
Atom O of residue 3
Atom CA of residue 3
Atom N of residue 3
GLN
Atom O of residue 2
Atom N of residue 275
Atom C of residue 2
Atom OG of residue 274
Atom CE of residue 2
Atom C of residue 274
Atom CB of residue 2
Atom CA of residue 274
Atom CA of residue 2
Atom ND1 of residue 437
SER
MET
Atom N of residue 274
Atom N of residue 2
Atom NZ of residue 273
Atom O of residue 1
Atom CE of residue 273
Atom C of residue 1
Atom CG of residue 273
Atom OE1 of residue 1
Atom CB of residue 273
Atom CD of residue 1
Atom O of residue 273
Atom CG of residue 1
Atom CA of residue 273
Atom CA of residue 1
GLN
VAL
Atom N of residue 95
Chain A
Atom C of residue 188
HG
Atom HET:HG   of residue 694
Chain P
Atom HET:HG   of residue 693
Atom NH2 of residue 682
Atom CZ of residue 682
Atom CD of residue 682
ARG
Atom C of residue 67
Atom N of residue 682
Atom CB of residue 681
Atom O of residue 681
Atom C of residue 681
Atom CA of residue 82
Atom CA of residue 681
Atom NE of residue 680
Atom CD of residue 680
Atom CB of residue 680
Atom O of residue 680
Atom C of residue 680
Atom N of residue 680
Atom CB of residue 679
Atom C of residue 678
Atom CE2 of residue 276
Atom CD1 of residue 677
Atom CE1 of residue 276
Atom CG2 of residue 677
Atom CB of residue 276
Atom C of residue 677
Atom N of residue 676
Atom NE2 of residue 88
Atom C of residue 675
Atom N of residue 675
Atom N of residue 82
ALA
Atom OG1 of residue 673
Atom C of residue 673
Atom O of residue 362
THR
Atom C of residue 362
Atom N of residue 673
Atom C of residue 552
Atom CG2 of residue 672
Atom C of residue 672
Atom CG of residue 312
Atom O of residue 503
Atom NE2 of residue 77
Atom N of residue 672
Atom CB of residue 671
Atom C of residue 37
THR
Atom N of residue 671
Atom OE1 of residue 670
Atom CD of residue 366
Atom CG of residue 670
Atom CB of residue 670
Atom O of residue 670
Atom N of residue 670
Atom OE2 of residue 669
Atom OE1 of residue 669
Atom O of residue 669
GLU
Atom CB of residue 364
Atom OG of residue 668
Atom CA of residue 668
Atom O of residue 363
SER
Atom CZ of residue 659
Atom CG of residue 363
Atom C of residue 173
Atom CG of residue 659
Atom CB of residue 363
Atom CB of residue 659
Atom N of residue 173
Atom OG of residue 658
Atom CB of residue 658
Atom NH2 of residue 657
Atom CD1 of residue 33
Atom N of residue 362
Atom NE of residue 657
Atom O of residue 361
Atom CD of residue 657
Atom OD1 of residue 361
Atom O of residue 657
TRP
Atom CG of residue 361
Atom C of residue 657
Atom O of residue 85
Atom N of residue 33
Atom CG of residue 171
Atom CA of residue 657
ARG
Atom CG2 of residue 656
Atom C of residue 145
Atom N of residue 656
ALA
VAL
Atom O of residue 168
Atom CB of residue 654
Atom C of residue 98
Atom C of residue 29
Atom OD1 of residue 168
Atom CA of residue 654
Atom N of residue 654
Atom N of residue 357
Atom CB of residue 652
Atom O of residue 356
Atom O of residue 652
Atom CG2 of residue 27
Atom CA of residue 356
Atom CA of residue 652
Atom CA of residue 355
Atom CE3 of residue 259
Atom CA of residue 651
Atom CG2 of residue 650
Atom C of residue 354
Atom CG1 of residue 650
Atom CA of residue 650
Atom N of residue 25
Atom C of residue 353
Atom N of residue 650
Atom O of residue 649
Atom CB of residue 24
Atom CA of residue 649
Atom CG of residue 648
Atom O of residue 256
Atom N of residue 648
Atom C of residue 256
Atom CB of residue 647
Atom OD2 of residue 343
Atom CA of residue 647
Atom N of residue 647
Atom N of residue 646
Atom CG of residue 540
Atom CD1 of residue 645
Atom N of residue 645
Atom C of residue 136
Atom O of residue 539
Atom CG2 of residue 644
Atom CG of residue 135
Atom OG1 of residue 538
VAL
Atom N of residue 644
Atom CB of residue 112
Atom CA of residue 19
Atom NE2 of residue 643
Atom CG of residue 537
HIS
Atom C of residue 250
SER
Atom CA of residue 133
Atom CG1 of residue 536
Atom N of residue 642
Atom C of residue 641
Atom O of residue 132
Atom CB of residue 535
Atom N of residue 641
Atom C of residue 132
Atom O of residue 535
Atom O of residue 640
Atom C of residue 535
Atom C of residue 640
Atom O of residue 534
Atom CB of residue 131
Atom CB of residue 639
Atom C of residue 534
Atom O of residue 131
Atom O of residue 639
GLY
Atom CA of residue 131
Atom CA of residue 639
Atom C of residue 106
Atom CD1 of residue 130
Atom CD1 of residue 638
Atom CB of residue 533
Atom CG of residue 130
Atom CG of residue 638
Atom O of residue 533
Atom CB of residue 130
Atom CB of residue 638
LEU
LEU
Atom CB of residue 532
Atom N of residue 638
Atom O of residue 532
Atom CD1 of residue 406
Atom CB of residue 637
Atom C of residue 532
Atom O of residue 637
Atom CG of residue 129
Atom CA of residue 406
Atom C of residue 637
Atom C of residue 247
ALA
Atom N of residue 637
Atom CB of residue 399
Atom OE1 of residue 531
Atom OG of residue 636
Atom CB of residue 340
LEU
Atom OD2 of residue 432
Atom C of residue 59
Atom CD of residue 531
Atom CB of residue 636
Atom O of residue 636
Atom CG of residue 247
Atom C of residue 636
Atom NE of residue 59
SER
Atom C of residue 339
Atom CD of residue 59
Atom N of residue 636
Atom CG1 of residue 398
GLN
Atom SG of residue 635
Atom CB of residue 398
Atom N of residue 531
Atom CB of residue 635
Atom CA of residue 59
Atom CD of residue 530
Atom O of residue 635
Atom C of residue 635
Atom CB of residue 530
Atom CA of residue 635
Atom OG of residue 58
Atom O of residue 634
Atom C of residue 245
Atom N of residue 58
Atom N of residue 634
Atom CG of residue 57
Atom CB of residue 633
Atom CE1 of residue 245
Atom CB of residue 57
Atom O of residue 231
Atom O of residue 633
PRO
THR
Atom C of residue 280
Atom O of residue 8
Atom CA of residue 277
Atom CD2 of residue 229
Atom CD1 of residue 632
Atom CB of residue 56
Atom O of residue 632
Atom CA of residue 8
LYS
Atom C of residue 632
Atom N of residue 56
LEU
Atom CB of residue 631
Atom N of residue 176
Atom CA of residue 7
Atom O of residue 631
VAL
Atom C of residue 631
Atom N of residue 527
Atom CA of residue 631
Atom O of residue 100
Atom CZ2 of residue 630
Atom CB of residue 243
Atom CE3 of residue 630
GLY
Atom CE2 of residue 630
Atom NH1 of residue 525
Atom N of residue 123
Atom CD2 of residue 630
Atom CG of residue 630
Atom N of residue 630
GLY
Atom CE1 of residue 325
Atom N of residue 629
Atom CG of residue 627
Atom CB of residue 627
Atom CG2 of residue 423
CYS
Atom CB of residue 625
ALA
Atom CG1 of residue 624
VAL
Atom CZ of residue 47
Atom C of residue 623
THR
Atom CE of residue 235
Atom CG2 of residue 622
Atom CB of residue 622
Atom O of residue 622
VAL
Atom NE2 of residue 621
Atom O of residue 516
Atom CD of residue 621
Atom CG of residue 621
Atom CA of residue 516
Atom CB of residue 621
Atom O of residue 621
Atom C of residue 621
Atom CE2 of residue 138
Atom CA of residue 621
Atom OE2 of residue 620
Atom CD2 of residue 418
Atom OE1 of residue 620
Atom CG of residue 515
Atom CD of residue 620
Atom CG of residue 620
Atom CB of residue 620
Atom O of residue 620
Atom CA of residue 515
Atom C of residue 620
Atom CA of residue 620
Atom N of residue 515
GLU
Atom NE2 of residue 619
Atom CD2 of residue 184
Atom CE1 of residue 90
Atom OE1 of residue 619
Atom CD2 of residue 417
Atom CA of residue 514
Atom CD of residue 619
Atom CG of residue 90
Atom CB of residue 137
Atom CB of residue 619
Atom CA of residue 619
Atom N of residue 90
Atom O of residue 136
GLN
Atom C of residue 429
Atom O of residue 89
Atom N of residue 619
Atom CD of residue 618
Atom OD1 of residue 136
Atom CG of residue 618
Atom CZ3 of residue 371
Atom NH1 of residue 89
Atom CG of residue 136
Atom CB of residue 618
Atom CD of residue 89
Atom CA of residue 618
Atom CA of residue 416
Atom N of residue 618
Atom CB of residue 617
Atom OD1 of residue 135
Atom C of residue 617
Atom CB of residue 415
Atom N of residue 617
Atom CG of residue 616
Atom O of residue 616
Atom CD2 of residue 134
Atom CA of residue 511
Atom C of residue 616
Atom CB of residue 314
Atom CA of residue 308
Atom O of residue 82
Atom CG2 of residue 312
Atom CA of residue 616
Atom CA of residue 319
PRO
Atom C of residue 307
Atom CA of residue 81
Atom CG of residue 414
Atom CG1 of residue 615
Atom CB of residue 414
Atom CB of residue 615
Atom OD2 of residue 80
Atom O of residue 414
Atom CG of residue 510
Atom O of residue 615
Atom CA of residue 414
Atom CA of residue 615
Atom O of residue 79
Atom CA of residue 318
ARG
ILE
Atom CZ of residue 205
Atom N of residue 615
Atom CG of residue 79
ARG
Atom O of residue 614
Atom CD of residue 413
Atom SG of residue 509
Atom CA of residue 614
CYS
Atom CD2 of residue 613
Atom NH2 of residue 412
Atom CG1 of residue 508
Atom N of residue 205
Atom CB of residue 613
Atom O of residue 508
Atom C of residue 613
HIS
Atom C of residue 204
Atom OE2 of residue 612
Atom CD of residue 612
Atom CG of residue 612
Atom CG2 of residue 223
Atom NZ of residue 611
Atom CG of residue 611
Atom CB of residue 611
Atom N of residue 669
LYS
Atom CG1 of residue 610
Atom C of residue 80
Atom CB of residue 610
Atom CA of residue 610
Atom CE of residue 609
Atom CD of residue 609
Atom C of residue 609
Atom O of residue 362
ARG
Atom CA of residue 609
LEU
LYS
Atom CG of residue 101
Atom CD2 of residue 33
Atom CG of residue 607
Atom O of residue 101
Atom CB of residue 33
Atom C of residue 310
Atom O of residue 607
Atom C of residue 607
GLU
Atom CG of residue 604
Atom C of residue 604
Atom N of residue 604
ALA
Atom CG of residue 602
Atom O of residue 602
Atom C of residue 602
Atom N of residue 601
Atom C of residue 600
Atom CA of residue 600
Atom N of residue 212
Atom N of residue 600
Atom CB of residue 544
Atom CA of residue 72
Atom C of residue 94
Atom N of residue 599
Atom CB of residue 598
Atom O of residue 598
SER
Atom NE2 of residue 597
Atom CB of residue 443
Atom CD2 of residue 71
Atom CE1 of residue 597
Atom CG of residue 71
Atom ND1 of residue 597
Atom O of residue 93
Atom CG of residue 597
Atom C of residue 543
Atom CA of residue 71
Atom NH1 of residue 209
Atom C of residue 93
Atom CB of residue 597
Atom C of residue 597
Atom CD of residue 209
Atom CA of residue 597
Atom C of residue 70
HIS
Atom N of residue 245
Atom CG2 of residue 70
Atom N of residue 597
Atom CA of residue 70
Atom N of residue 209
Atom CG1 of residue 596
Atom O of residue 208
Atom CB of residue 596
Atom CZ of residue 69
ILE
Atom OG of residue 595
Atom CD1 of residue 69
Atom N of residue 208
Atom O of residue 595
Atom OG of residue 300
Atom CB of residue 491
Atom CA of residue 114
SER
Atom N of residue 595
Atom O of residue 594
Atom C of residue 594
PHE
Atom C of residue 291
Atom OE2 of residue 593
Atom OE1 of residue 593
GLY
Atom CD of residue 593
Atom C of residue 290
Atom C of residue 593
Atom NE2 of residue 158
Atom N of residue 67
Atom NH1 of residue 592
Atom CG of residue 289
Atom CZ of residue 592
Atom O of residue 289
Atom CD of residue 592
Atom N of residue 205
Atom C of residue 592
Atom CA of residue 592
Atom CD2 of residue 591
Atom CG of residue 591
ALA
ALA
LEU
Atom CB of residue 591
Atom N of residue 109
Atom N of residue 184
Atom O of residue 591
Atom O of residue 108
Atom CG2 of residue 203
Atom OH of residue 183
Atom C of residue 591
Atom CA of residue 591
Atom C of residue 295
HIS
Atom N of residue 591
Atom N of residue 203
Atom C of residue 590
VAL
Atom CA of residue 590
GLY
Atom N of residue 590
Atom CG2 of residue 589
Atom CB of residue 589
PRO
Atom O of residue 589
Atom N of residue 202
Atom CA of residue 286
Atom C of residue 589
THR
Atom O of residue 201
Atom CA of residue 589
VAL
Atom N of residue 589
Atom CB of residue 588
SER
Atom O of residue 588
SER
Atom CD of residue 587
Atom CB of residue 587
Atom O of residue 587
Atom CD2 of residue 199
Atom C of residue 587
Atom ND2 of residue 586
Atom O of residue 586
Atom CA of residue 292
ALA
Atom CA of residue 586
Atom CD of residue 197
Atom O of residue 585
Atom N of residue 197
Atom O of residue 572
Atom C of residue 572
Atom CD2 of residue 442
Atom CB of residue 103
GLY
Atom CG of residue 442
Atom N of residue 572
Atom CD2 of residue 571
Atom CD1 of residue 571
Atom CG of residue 571
Atom O of residue 289
Atom CD2 of residue 102
Atom O of residue 571
Atom C of residue 571
Atom CD of residue 479
Atom CB of residue 102
LEU
Atom N of residue 571
Atom OD2 of residue 570
Atom OD1 of residue 570
Atom CG of residue 570
HIS
Atom O of residue 570
Atom N of residue 441
Atom C of residue 570
Atom C of residue 228
Atom CZ3 of residue 428
Atom C of residue 54
Atom O of residue 6
Atom N of residue 570
Atom CD of residue 569
Atom N of residue 569
Atom CZ of residue 476
Atom CG2 of residue 568
Atom CG1 of residue 568
Atom C of residue 285
Atom CA of residue 568
Atom N of residue 568
Atom OE2 of residue 567
Atom N of residue 276
Atom CG of residue 567
Atom CG1 of residue 474
Atom CH2 of residue 566
Atom N of residue 628
Atom CB of residue 474
Atom CZ3 of residue 566
Atom OH of residue 190
Atom CA of residue 275
Atom CZ2 of residue 566
Atom NE1 of residue 566
Atom CB of residue 473
Atom CD1 of residue 566
Atom CG of residue 566
Atom CB of residue 566
Atom CA of residue 473
Atom O of residue 566
Atom N of residue 437
Atom OD1 of residue 374
Atom CA of residue 566
TRP
Atom CA of residue 472
Atom ND1 of residue 565
Atom N of residue 374
Atom CG of residue 565
Atom CB of residue 565
Atom O of residue 565
Atom N of residue 436
Atom C of residue 373
Atom CA of residue 565
Atom CA of residue 471
HIS
Atom N of residue 565
Atom N of residue 373
Atom OG of residue 564
Atom C of residue 564
Atom C of residue 372
Atom CA of residue 564
Atom O of residue 187
Atom CA of residue 272
SER
Atom N of residue 564
Atom CG2 of residue 280
Atom CB of residue 563
Atom O of residue 563
Atom C of residue 563
Atom CA of residue 563
Atom N of residue 563
Atom CG2 of residue 369
Atom N of residue 562
GLY
Atom CG2 of residue 560
Atom N of residue 278
THR
Atom O of residue 91
Atom N of residue 560
Atom O of residue 277
Atom OG of residue 91
Atom CD1 of residue 559
Atom N of residue 368
Atom CG of residue 559
Atom CA of residue 91
GLU
Atom CB of residue 559
Atom OD1 of residue 367
Atom O of residue 559
Atom CD2 of residue 268
Atom C of residue 559
Atom CB of residue 367
Atom CA of residue 559
LEU
Atom N of residue 559
Atom CB of residue 558
LEU
Atom O of residue 558
Atom CD1 of residue 90
Atom CG of residue 137
Atom CG of residue 619
Atom CA of residue 465
Atom N of residue 268
Atom C of residue 558
Atom CD of residue 366
Atom CA of residue 558
TYR
Atom C of residue 65
GLY
Atom NE2 of residue 557
ASN
Atom O of residue 415
Atom N of residue 512
Atom CD of residue 616
Atom ND1 of residue 557
Atom CA of residue 415
Atom CB of residue 616
Atom CG of residue 557
Atom CG of residue 43
Atom CB of residue 557
Atom CD1 of residue 111
Atom CB of residue 43
Atom OH of residue 315
Atom O of residue 557
Atom CA of residue 587
Atom C of residue 557
Atom CE2 of residue 292
HIS
Atom C of residue 12
Atom N of residue 557
Atom O of residue 412
Atom CA of residue 556
GLY
Atom N of residue 556
Atom NE2 of residue 555
Atom CD2 of residue 85
Atom CA of residue 106
Atom OE1 of residue 555
Atom N of residue 267
Atom CD2 of residue 464
Atom CD of residue 555
Atom C of residue 555
Atom C of residue 618
Atom C of residue 266
GLN
Atom SG of residue 552
Atom CA of residue 79
Atom O of residue 272
Atom CA of residue 552
Atom CG1 of residue 672
Atom CA of residue 461
CYS
Atom NE2 of residue 551
PRO
Atom OG of residue 153
Atom CD2 of residue 551
Atom CG of residue 551
Atom O of residue 551
Atom CB of residue 550
Atom O of residue 550
Atom C of residue 152
Atom CA of residue 550
Atom CG of residue 423
Atom NH1 of residue 549
Atom NZ of residue 258
Atom CD of residue 549
Atom CG of residue 549
THR
Atom CB of residue 549
Atom O of residue 269
Atom CB of residue 258
Atom C of residue 549
Atom N of residue 549
Atom O of residue 548
Atom CA of residue 314
Atom O of residue 128
Atom CD of residue 364
Atom CB of residue 668
Atom CA of residue 548
Atom N of residue 548
Atom O of residue 547
Atom C of residue 547
Atom N of residue 547
Atom CE of residue 546
Atom SD of residue 546
Atom CG of residue 546
Atom CB of residue 546
Atom O of residue 546
PRO
Atom C of residue 546
Atom CB of residue 73
MET
Atom OG of residue 545
Atom CB of residue 545
Atom O of residue 545
Atom OE1 of residue 122
Atom C of residue 72
Atom C of residue 545
Atom CA of residue 545
Atom O of residue 544
Atom C of residue 544
Atom CA of residue 544
ALA
Atom CE1 of residue 139
Atom OE2 of residue 543
Atom OE1 of residue 543
Atom CD of residue 543
Atom CB of residue 543
Atom OH of residue 142
Atom N of residue 653
Atom CB of residue 542
Atom CD of residue 541
Atom CB of residue 541
Atom OD2 of residue 651
Atom C of residue 541
Atom C of residue 645
Atom CA of residue 540
Atom C of residue 649
Atom CB of residue 135
Atom CB of residue 538
Atom NE2 of residue 537
Atom CD2 of residue 648
Atom CE1 of residue 537
Atom CA of residue 640
Atom CA of residue 535
Atom C of residue 401
Atom CA of residue 534
Atom CA of residue 136
Atom CG1 of residue 644
Atom N of residue 154
CYS
Atom N of residue 131
Atom N of residue 639
Atom ND2 of residue 533
Atom C of residue 644
Atom CD2 of residue 130
Atom OD1 of residue 533
Atom CB of residue 400
Atom O of residue 408
Atom N of residue 533
Atom CA of residue 60
ALA
Atom CA of residue 181
PHE
Atom CA of residue 111
Atom CA of residue 433
Atom N of residue 532
Atom CB of residue 205
Atom O of residue 17
Atom CG1 of residue 399
Atom NE2 of residue 531
Atom OG of residue 642
Atom CG1 of residue 17
Atom CG of residue 531
Atom N of residue 185
Atom CB of residue 17
Atom CB of residue 531
Atom CA of residue 531
Atom OG1 of residue 641
Atom CG of residue 530
Atom CB of residue 397
PRO
Atom N of residue 530
Atom CD1 of residue 529
Atom CD1 of residue 245
Atom CA of residue 633
Atom CA of residue 57
LEU
Atom CA of residue 236
Atom C of residue 61
Atom N of residue 529
Atom CB of residue 245
Atom CD2 of residue 528
Atom CA of residue 130
Atom CG of residue 408
Atom CA of residue 638
Atom N of residue 528
Atom SG of residue 527
Atom O of residue 527
Atom C of residue 527
Atom C of residue 399
Atom CA of residue 637
CYS
Atom O of residue 526
Atom CZ of residue 393
Atom C of residue 526
Atom O of residue 531
Atom CA of residue 636
CYS
Atom NH2 of residue 525
Atom NE of residue 525
Atom CD of residue 525
Atom O of residue 525
Atom C of residue 525
Atom CG of residue 392
ARG
Atom N of residue 525
Atom O of residue 524
Atom C of residue 524
ALA
Atom N of residue 524
Atom CD1 of residue 523
Atom CG1 of residue 523
Atom O of residue 523
Atom C of residue 523
ILE
Atom N of residue 523
Atom O of residue 522
Atom C of residue 522
ALA
Atom N of residue 522
Atom OH of residue 521
Atom CZ of residue 521
ASP
Atom CE2 of residue 521
Atom CD1 of residue 521
Atom CB of residue 521
Atom O of residue 521
Atom C of residue 521
TYR
Atom CA of residue 625
Atom N of residue 521
SER
Atom CB of residue 520
Atom O of residue 520
Atom C of residue 520
Atom CA of residue 624
Atom N of residue 520
Atom CA of residue 48
Atom O of residue 519
Atom C of residue 519
Atom CA of residue 519
Atom NE2 of residue 219
Atom N of residue 519
Atom CB of residue 518
Atom O of residue 518
Atom C of residue 518
Atom OE1 of residue 621
Atom N of residue 517
Atom CA of residue 627
Atom CA of residue 234
Atom C of residue 516
Atom CB of residue 515
Atom O of residue 515
Atom C of residue 515
Atom CB of residue 514
Atom C of residue 514
ALA
Atom CE of residue 231
Atom N of residue 514
Atom CA of residue 231
Atom CB of residue 513
Atom O of residue 513
Atom CD1 of residue 416
Atom CA of residue 513
Atom CD of residue 518
Atom CA of residue 623
ASN
Atom CG2 of residue 230
Atom N of residue 513
Atom NE2 of residue 512
Atom CE2 of residue 320
Atom CE1 of residue 512
Atom C of residue 42
Atom CD2 of residue 512
Atom ND1 of residue 512
Atom CD2 of residue 415
Atom O of residue 512
Atom NH2 of residue 680
Atom C of residue 512
HIS
Atom C of residue 270
Atom O of residue 468
Atom N of residue 561
Atom CD2 of residue 319
Atom O of residue 134
Atom O of residue 511
Atom C of residue 511
Atom NH1 of residue 510
Atom C of residue 467
Atom CD2 of residue 559
LEU
Atom CD of residue 414
Atom CZ of residue 510
Atom N of residue 134
Atom NE of residue 510
Atom OD2 of residue 318
Atom O of residue 133
Atom CD of residue 510
CYS
Atom CD1 of residue 133
Atom O of residue 510
Atom N of residue 679
Atom CG of residue 133
Atom C of residue 510
Atom CG2 of residue 558
LEU
Atom C of residue 614
Atom N of residue 510
Atom CZ of residue 276
Atom OE2 of residue 366
Atom N of residue 678
Atom CB of residue 90
Atom O of residue 619
Atom C of residue 619
Atom N of residue 558
Atom CG2 of residue 508
Atom CZ of residue 315
Atom N of residue 131
Atom CD2 of residue 507
Atom O of residue 130
Atom CD1 of residue 507
Atom CG2 of residue 675
Atom CB of residue 130
Atom C of residue 507
VAL
LEU
Atom CA of residue 309
Atom N of residue 507
Atom C of residue 128
LYS
Atom CG2 of residue 81
Atom CG2 of residue 673
Atom O of residue 505
Atom O of residue 80
Atom C of residue 505
Atom C of residue 414
Atom CB of residue 510
Atom C of residue 615
Atom CB of residue 313
Atom O of residue 127
GLY
ASP
Atom CD of residue 313
Atom N of residue 505
Atom O of residue 504
Atom OE1 of residue 79
Atom C of residue 504
Atom O of residue 312
Atom NE of residue 306
GLY
Atom CZ of residue 34
Atom N of residue 504
ALA
Atom NE2 of residue 503
Atom NH1 of residue 312
Atom O of residue 126
Atom CB of residue 306
Atom OE1 of residue 503
Atom CZ of residue 312
Atom C of residue 155
Atom C of residue 126
Atom O of residue 306
Atom CD of residue 503
Atom CB of residue 361
Atom CA of residue 71
VAL
Atom CD of residue 312
Atom CA of residue 306
Atom CB of residue 503
Atom CB of residue 312
Atom C of residue 503
Atom CB of residue 63
ALA
Atom CZ of residue 199
Atom N of residue 503
Atom NE of residue 412
Atom CA of residue 613
Atom C of residue 311
Atom CD of residue 199
Atom O of residue 502
Atom OE1 of residue 612
Atom CE1 of residue 85
Atom CB of residue 612
Atom CA of residue 198
Atom O of residue 501
Atom CD of residue 669
Atom CA of residue 501
Atom CE of residue 611
Atom OE2 of residue 197
Atom C of residue 298
GLU
Atom CD of residue 611
Atom OE1 of residue 197
Atom N of residue 501
Atom O of residue 611
Atom CB of residue 197
Atom CG of residue 500
ARG
VAL
Atom C of residue 197
Atom O of residue 500
Atom N of residue 217
Atom CA of residue 303
Atom C of residue 500
Atom C of residue 122
MET
Atom CG of residue 99
Atom NE2 of residue 122
Atom N of residue 500
Atom OE1 of residue 302
Atom NH2 of residue 499
Atom N of residue 309
Atom CB of residue 196
Atom CG of residue 122
Atom CG of residue 302
Atom CZ of residue 499
Atom CB of residue 357
Atom NH1 of residue 659
LEU
Atom O of residue 302
Atom C of residue 196
Atom CD of residue 499
Atom CB of residue 308
Atom O of residue 215
Atom CA of residue 302
Atom CB of residue 499
Atom C of residue 215
Atom O of residue 499
Atom O of residue 307
Atom CD of residue 195
Atom CB of residue 301
ARG
Atom N of residue 403
Atom CA of residue 498
Atom NH1 of residue 657
Atom O of residue 306
Atom C of residue 497
Atom O of residue 213
Atom CB of residue 194
ALA
Atom CA of residue 497
Atom NH1 of residue 496
Atom CD2 of residue 606
Atom ND1 of residue 193
Atom CB of residue 496
TYR
Atom CD1 of residue 400
Atom O of residue 496
Atom N of residue 306
Atom C of residue 496
Atom CB of residue 400
Atom O of residue 193
Atom CA of residue 496
Atom N of residue 96
Atom N of residue 496
Atom NH1 of residue 495
Atom N of residue 400
Atom OD2 of residue 192
Atom CZ of residue 495
VAL
Atom OD1 of residue 192
Atom CE of residue 399
Atom NE of residue 495
Atom SD of residue 399
Atom CD of residue 495
Atom O of residue 304
Atom CB of residue 192
Atom CG of residue 399
Atom CG of residue 495
Atom C of residue 304
Atom CB of residue 399
Atom O of residue 192
Atom CB of residue 495
Atom CB of residue 304
Atom C of residue 192
Atom O of residue 399
Atom O of residue 495
Atom C of residue 233
Atom N of residue 545
Atom C of residue 399
Atom C of residue 495
Atom N of residue 304
MET
ARG
Atom N of residue 495
Atom CE of residue 494
Atom OG1 of residue 303
Atom CG of residue 398
Atom CD of residue 494
Atom O of residue 494
Atom CG2 of residue 653
Atom CG of residue 543
Atom CA of residue 398
Atom C of residue 494
Atom N of residue 398
LYS
Atom OD2 of residue 302
Atom CB of residue 397
Atom N of residue 494
GLU
Atom CG of residue 302
Atom C of residue 397
Atom C of residue 493
Atom N of residue 543
Atom CA of residue 397
Atom CA of residue 493
Atom C of residue 138
ALA
Atom C of residue 396
Atom O of residue 492
Atom N of residue 542
Atom OE2 of residue 301
Atom C of residue 492
Atom C of residue 356
Atom C of residue 652
Atom OE1 of residue 301
Atom CA of residue 492
Atom CD1 of residue 395
Atom CZ of residue 114
Atom N of residue 492
Atom O of residue 137
PRO
Atom C of residue 137
Atom N of residue 541
Atom CG of residue 355
Atom CZ3 of residue 259
Atom O of residue 651
Atom C of residue 300
Atom CA of residue 395
Atom CG of residue 491
Atom CB of residue 355
Atom C of residue 651
Atom CB of residue 540
Atom CB of residue 300
Atom O of residue 491
Atom O of residue 540
Atom C of residue 491
Atom C of residue 25
Atom CA of residue 491
Atom O of residue 650
Atom O of residue 136
Atom CB of residue 539
Atom CB of residue 490
Atom C of residue 650
Atom C of residue 539
Atom CZ of residue 299
Atom C of residue 490
Atom CE2 of residue 489
Atom O of residue 135
Atom O of residue 538
Atom N of residue 299
Atom CD2 of residue 489
Atom C of residue 135
Atom C of residue 538
Atom O of residue 298
Atom CD1 of residue 489
Atom CD1 of residue 298
Atom O of residue 489
Atom CG of residue 298
Atom C of residue 489
Atom CD1 of residue 648
Atom C of residue 134
Atom CD2 of residue 537
Atom C of residue 537
Atom OG of residue 297
LEU
Atom C of residue 488
Atom CB of residue 133
HIS
SER
Atom O of residue 647
Atom OG of residue 487
Atom O of residue 161
Atom C of residue 69
Atom CA of residue 487
Atom O of residue 646
SER
Atom C of residue 646
Atom CD of residue 132
VAL
SER
Atom N of residue 487
Atom CG2 of residue 408
Atom CA of residue 646
Atom SG of residue 486
THR
Atom CB of residue 132
Atom CG2 of residue 435
Atom OG of residue 535
Atom CB of residue 486
Atom CA of residue 486
Atom CG of residue 645
CYS
Atom CB of residue 645
GLY
SER
Atom N of residue 486
Atom N of residue 435
Atom SG of residue 534
Atom CB of residue 485
Atom CA of residue 645
Atom CG of residue 131
Atom CG of residue 639
Atom CB of residue 534
Atom O of residue 485
Atom CA of residue 485
Atom CA of residue 107
SER
Atom CE2 of residue 406
Atom CA of residue 539
Atom CB of residue 644
LEU
PRO
Atom N of residue 534
Atom CD2 of residue 484
Atom CG2 of residue 285
Atom CG of residue 484
Atom CA of residue 644
Atom CG2 of residue 234
Atom CG of residue 533
Atom CB of residue 484
Atom ND1 of residue 643
Atom CD1 of residue 483
Atom O of residue 643
Atom N of residue 309
Atom CB of residue 483
Atom C of residue 643
MET
Atom O of residue 483
Atom CB of residue 537
Atom N of residue 643
LEU
GLN
Atom O of residue 65
Atom N of residue 483
Atom CB of residue 642
Atom CG of residue 105
Atom CD2 of residue 283
Atom OE2 of residue 482
Atom CA of residue 537
Atom O of residue 642
Atom CB of residue 105
Atom OE1 of residue 482
Atom CD of residue 482
Atom CD2 of residue 82
Atom N of residue 482
Atom OE2 of residue 481
Atom CA of residue 530
Atom CG of residue 481
Atom CB of residue 481
Atom C of residue 481
Atom CA of residue 481
Atom CG of residue 529
Atom C of residue 442
Atom CD of residue 103
GLU
LEU
Atom CA of residue 529
Atom CG of residue 480
Atom CB of residue 480
Atom O of residue 480
Atom C of residue 480
Atom CE2 of residue 429
Atom CG of residue 528
Atom CB of residue 528
Atom O of residue 528
Atom CA of residue 102
Atom CG of residue 479
Atom CA of residue 528
Atom CD2 of residue 441
Atom CB of residue 479
Atom O of residue 479
Atom CD of residue 84
Atom N of residue 588
Atom C of residue 479
Atom CB of residue 527
Atom CE of residue 101
Atom N of residue 479
Atom CD of residue 101
Atom CB of residue 478
Atom CA of residue 527
Atom CG of residue 101
Atom O of residue 478
Atom SG of residue 526
LYS
Atom CA of residue 168
ALA
Atom CB of residue 526
Atom CA of residue 385
Atom N of residue 101
Atom N of residue 478
Atom SG of residue 477
Atom C of residue 100
Atom CB of residue 477
Atom CH2 of residue 146
Atom CA of residue 526
Atom O of residue 477
Atom OG1 of residue 100
Atom C of residue 477
CYS
Atom C of residue 286
Atom N of residue 477
Atom CB of residue 393
Atom CZ of residue 525
Atom CG of residue 525
Atom CA of residue 167
Atom CA of residue 99
Atom NE of residue 476
Atom CB of residue 525
Atom CD of residue 476
HIS
Atom CA of residue 525
Atom O of residue 476
Atom O of residue 245
SER
GLY
Atom C of residue 476
Atom CA of residue 476
Atom CA of residue 392
Atom C of residue 52
Atom CB of residue 524
Atom CD of residue 98
ARG
Atom N of residue 476
Atom CB of residue 475
Atom CA of residue 524
Atom C of residue 475
Atom CA of residue 475
Atom C of residue 3
ALA
Atom N of residue 475
Atom O of residue 56
Atom CD2 of residue 632
Atom CD1 of residue 474
Atom CB of residue 523
Atom CG2 of residue 474
Atom CA of residue 523
Atom O of residue 437
Atom O of residue 474
Atom CE3 of residue 566
Atom C of residue 474
Atom CA of residue 474
Atom CB of residue 522
ILE
Atom N of residue 102
Atom CD2 of residue 566
Atom N of residue 474
Atom CA of residue 522
Atom O of residue 473
Atom C of residue 473
Atom N of residue 473
Atom OG1 of residue 472
LEU
Atom CB of residue 472
Atom O of residue 472
Atom CB of residue 471
Atom C of residue 471
Atom NE of residue 272
ALA
Atom CD of residue 272
Atom N of residue 471
Atom CE1 of residue 435
Atom CE of residue 470
Atom CD2 of residue 435
Atom SD of residue 470
Atom N of residue 99
Atom O of residue 272
Atom CG of residue 470
Atom C of residue 272
Atom CB of residue 470
Atom O of residue 470
Atom C of residue 470
Atom CA of residue 470
Atom CD1 of residue 271
MET
Atom N of residue 470
Atom O of residue 67
Atom NH2 of residue 469
Atom O of residue 271
Atom CZ of residue 469
Atom C of residue 271
Atom NE of residue 469
Atom CB of residue 469
Atom O of residue 469
Atom C of residue 376
THR
Atom CA of residue 518
Atom C of residue 469
SER
Atom CD1 of residue 369
Atom CA of residue 469
Atom C of residue 96
ARG
Atom OH of residue 51
Atom CD1 of residue 270
Atom N of residue 469
Atom NH1 of residue 680
Atom CD of residue 160
Atom CG2 of residue 468
Atom CB of residue 270
Atom OG1 of residue 468
Atom O of residue 270
Atom CB of residue 468
Atom CA of residue 468
Atom C of residue 566
THR
Atom CD of residue 269
Atom CG of residue 467
Atom CB of residue 467
Atom CB of residue 72
Atom C of residue 269
Atom CA of residue 467
Atom C of residue 466
Atom CB of residue 66
GLY
Atom O of residue 66
Atom N of residue 466
Atom OG of residue 465
Atom CD2 of residue 78
SER
Atom NE of residue 682
Atom N of residue 465
Atom CG of residue 231
Atom OD1 of residue 513
Atom NE2 of residue 464
Atom CG of residue 682
Atom CE1 of residue 464
Atom CB of residue 682
Atom CD1 of residue 266
Atom ND1 of residue 464
Atom CA of residue 464
HIS
Atom C of residue 562
Atom N of residue 365
Atom N of residue 464
Atom CD of residue 364
Atom CB of residue 463
Atom CE2 of residue 156
Atom O of residue 463
Atom O of residue 364
Atom CA of residue 463
Atom CG of residue 270
Atom C of residue 561
ALA
Atom O of residue 462
Atom C of residue 462
Atom C of residue 363
Atom CA of residue 462
Atom CA of residue 92
Atom OE1 of residue 269
Atom C of residue 560
Atom CB of residue 274
Atom N of residue 462
Atom O of residue 264
Atom CH2 of residue 461
ARG
Atom O of residue 180
Atom C of residue 264
Atom CZ3 of residue 461
Atom C of residue 63
Atom CZ2 of residue 461
Atom C of residue 426
Atom OG of residue 180
Atom CE3 of residue 461
Atom C of residue 155
Atom CE2 of residue 461
Atom CA of residue 263
Atom CD1 of residue 461
Atom CG of residue 461
Atom CB of residue 461
PHE
TRP
Atom CD2 of residue 90
Atom CA of residue 268
CYS
Atom C of residue 132
Atom O of residue 509
Atom CZ of residue 272
Atom CG2 of residue 460
Atom CG1 of residue 460
Atom O of residue 460
Atom CA of residue 460
Atom CG2 of residue 459
Atom OG1 of residue 459
Atom CA of residue 459
Atom NE1 of residue 371
Atom CG of residue 89
Atom NE2 of residue 554
Atom CG of residue 271
THR
Atom C of residue 423
Atom N of residue 459
Atom CD of residue 554
Atom NH2 of residue 458
LYS
Atom CB of residue 85
LEU
Atom NH1 of residue 458
Atom CA of residue 554
Atom CG of residue 458
Atom CA of residue 458
THR
Atom O of residue 674
ARG
Atom OG of residue 174
Atom CE2 of residue 456
Atom CE1 of residue 456
Atom CA of residue 421
Atom CD2 of residue 456
Atom CG of residue 78
Atom OG of residue 317
GLY
Atom CB of residue 456
Atom CB of residue 317
Atom N of residue 614
Atom O of residue 456
Atom CA of residue 456
Atom CD2 of residue 455
Atom C of residue 551
Atom CG of residue 455
Atom CB of residue 455
Atom N of residue 255
Atom CA of residue 455
LEU
Atom N of residue 455
Atom N of residue 502
Atom NE2 of residue 454
Atom O of residue 86
Atom C of residue 550
Atom OE1 of residue 454
Atom C of residue 86
Atom CD of residue 454
Atom CB of residue 454
Atom CA of residue 86
ASN
Atom O of residue 454
Atom N of residue 254
Atom C of residue 454
Atom CA of residue 454
Atom NE of residue 549
Atom O of residue 354
GLN
Atom N of residue 454
Atom C of residue 417
Atom CZ3 of residue 453
Atom CD2 of residue 417
Atom CE3 of residue 453
Atom CE2 of residue 453
Atom C of residue 506
Atom C of residue 35
Atom NE1 of residue 453
Atom CG2 of residue 252
Atom CD2 of residue 453
Atom CA of residue 417
Atom N of residue 264
Atom CB of residue 252
Atom CG of residue 453
Atom O of residue 263
Atom O of residue 252
Atom CB of residue 453
Atom NH1 of residue 499
Atom C of residue 453
Atom CA of residue 453
Atom N of residue 453
ILE
Atom CZ of residue 251
Atom CE1 of residue 449
Atom N of residue 169
Atom SG of residue 654
Atom CD2 of residue 449
Atom CD of residue 251
Atom ND1 of residue 449
Atom CG of residue 251
Atom CG of residue 449
Atom OE2 of residue 262
Atom CB of residue 251
Atom CB of residue 449
Atom N of residue 499
Atom O of residue 251
Atom O of residue 449
Atom C of residue 251
Atom C of residue 449
Atom CG of residue 262
Atom CA of residue 251
Atom CA of residue 449
ARG
HIS
Atom CA of residue 415
Atom N of residue 251
Atom N of residue 449
Atom N of residue 34
Atom CD2 of residue 250
Atom CB of residue 653
Atom CG2 of residue 448
Atom N of residue 262
Atom OG1 of residue 448
Atom O of residue 261
Atom CG of residue 250
Atom CB of residue 448
Atom C of residue 261
Atom CB of residue 250
Atom O of residue 448
Atom O of residue 250
Atom C of residue 448
Atom N of residue 350
Atom CA of residue 448
Atom OG of residue 447
Atom SD of residue 260
Atom CB of residue 249
Atom N of residue 349
Atom O of residue 447
Atom CG of residue 260
Atom O of residue 249
Atom C of residue 447
Atom CA of residue 447
SER
Atom N of residue 310
Atom CA of residue 197
Atom C of residue 31
Atom CG of residue 445
Atom CG2 of residue 72
PRO
Atom CD2 of residue 444
Atom CG of residue 444
VAL
Atom CB of residue 444
Atom N of residue 346
MET
Atom O of residue 444
Atom CG of residue 345
Atom OG of residue 246
Atom CA of residue 444
Atom N of residue 444
Atom O of residue 443
PRO
SER
Atom C of residue 443
Atom N of residue 246
Atom CA of residue 443
Atom O of residue 543
ALA
Atom CA of residue 543
Atom CB of residue 442
Atom O of residue 442
ALA
Atom C of residue 442
Atom CZ of residue 142
Atom ND2 of residue 652
Atom O of residue 542
Atom OG1 of residue 70
ALA
Atom C of residue 542
Atom CG of residue 194
Atom CA of residue 120
Atom CG of residue 409
Atom C of residue 350
Atom CG2 of residue 441
Atom CA of residue 299
Atom C of residue 27
Atom CG1 of residue 441
Atom NZ of residue 243
Atom O of residue 441
Atom CE of residue 243
Atom C of residue 441
Atom N of residue 652
Atom O of residue 541
VAL
Atom CA of residue 119
GLU
Atom N of residue 441
SER
Atom OG1 of residue 408
Atom N of residue 350
Atom CD2 of residue 440
Atom CG of residue 69
Atom CG of residue 440
Atom O of residue 440
Atom C of residue 440
Atom O of residue 242
Atom CA of residue 440
Atom C of residue 540
Atom O of residue 68
LEU
Atom O of residue 348
GLY
Atom N of residue 440
SER
ILE
Atom N of residue 254
Atom ND2 of residue 439
Atom OD1 of residue 439
Atom O of residue 439
THR
Atom C of residue 439
Atom C of residue 241
Atom CA of residue 439
Atom CG2 of residue 538
Atom N of residue 291
Atom CG of residue 593
Atom CZ of residue 489
Atom CB of residue 159
Atom N of residue 439
Atom CD of residue 438
Atom CE1 of residue 489
SER
Atom O of residue 438
Atom N of residue 347
ALA
Atom C of residue 158
Atom C of residue 438
Atom CA of residue 438
Atom N of residue 240
Atom N of residue 538
Atom O of residue 66
PRO
THR
Atom CG of residue 116
Atom OD1 of residue 405
Atom N of residue 438
Atom CG2 of residue 437
Atom CB of residue 158
Atom OG1 of residue 437
Atom CB of residue 437
Atom N of residue 239
Atom O of residue 437
Atom OD2 of residue 238
Atom C of residue 437
Atom CA of residue 437
THR
ASP
Atom CA of residue 190
Atom N of residue 493
Atom CG2 of residue 115
Atom N of residue 302
Atom NE of residue 22
Atom CD1 of residue 436
Atom CG of residue 436
Atom CB of residue 436
Atom O of residue 403
Atom O of residue 436
Atom C of residue 403
Atom NH2 of residue 237
Atom C of residue 436
SER
Atom ND2 of residue 156
Atom CA of residue 436
LEU
Atom SG of residue 21
Atom CG1 of residue 435
Atom CB of residue 435
Atom C of residue 402
Atom O of residue 435
Atom CG of residue 402
GLY
Atom C of residue 435
VAL
Atom O of residue 394
Atom CA of residue 188
Atom N of residue 114
PRO
Atom NH2 of residue 434
Atom CZ of residue 434
SER
Atom NE of residue 434
Atom CG2 of residue 401
Atom CD of residue 434
Atom O of residue 153
Atom CG of residue 434
Atom CA of residue 401
Atom NE2 of residue 153
Atom O of residue 434
SER
Atom O of residue 112
Atom C of residue 434
Atom CB of residue 409
ARG
ARG
Atom CA of residue 112
Atom CD1 of residue 334
Atom NE2 of residue 433
Atom N of residue 153
Atom CD of residue 433
Atom C of residue 334
Atom O of residue 433
Atom CD1 of residue 152
Atom C of residue 433
Atom C of residue 340
Atom C of residue 412
Atom N of residue 334
GLN
Atom CG2 of residue 333
Atom N of residue 433
Atom CA of residue 340
Atom O of residue 151
Atom O of residue 333
Atom CG of residue 432
Atom CB of residue 390
Atom O of residue 109
Atom N of residue 17
Atom N of residue 151
ASP
Atom C of residue 126
Atom CD of residue 331
GLU
Atom CA of residue 108
ARG
Atom N of residue 431
Atom CB of residue 228
Atom N of residue 429
Atom CZ2 of residue 428
Atom CD of residue 327
Atom CE2 of residue 428
Atom CD2 of residue 428
Atom CA of residue 227
Atom CD1 of residue 428
Atom C of residue 428
Atom CA of residue 146
Atom C of residue 427
Atom OE2 of residue 426
Atom C of residue 390
Atom N of residue 426
Atom CB of residue 571
Atom CG2 of residue 144
Atom OD1 of residue 425
Atom CB of residue 425
Atom N of residue 196
Atom CA of residue 571
Atom CA of residue 144
Atom O of residue 425
Atom C of residue 425
Atom CA of residue 425
Atom O of residue 143
ASN
Atom CA of residue 424
VAL
Atom CG of residue 569
Atom CB of residue 142
Atom CG1 of residue 423
Atom CB of residue 569
Atom CA of residue 222
Atom CB of residue 423
Atom CA of residue 569
Atom CA of residue 423
Atom CA of residue 379
GLU
Atom ND1 of residue 116
Atom CB of residue 221
VAL
Atom N of residue 423
Atom OG1 of residue 281
Atom CG2 of residue 162
Atom C of residue 221
Atom OD2 of residue 422
Atom OD1 of residue 422
Atom OE1 of residue 567
Atom NZ of residue 421
Atom CD of residue 421
Atom N of residue 567
LYS
Atom C of residue 420
Atom CB of residue 212
ALA
Atom O of residue 212
Atom N of residue 420
Atom CA of residue 51
Atom CD of residue 211
Atom N of residue 419
Atom N of residue 114
Atom CZ of residue 418
Atom CE2 of residue 418
Atom CD2 of residue 265
Atom O of residue 369
Atom CA of residue 561
Atom CB of residue 560
Atom CG2 of residue 109
Atom CG of residue 319
Atom N of residue 415
Atom C of residue 232
LEU
Atom O of residue 64
Atom OE1 of residue 322
Atom C of residue 44
Atom N of residue 311
Atom CB of residue 413
LEU
Atom CA of residue 509
Atom C of residue 413
Atom N of residue 413
LYS
Atom C of residue 360
Atom CB of residue 412
Atom CG of residue 158
Atom C of residue 239
Atom CA of residue 66
Atom CA of residue 412
Atom N of residue 437
Atom CD of residue 77
Atom CA of residue 83
ALA
Atom C of residue 411
Atom OE2 of residue 332
Atom CA of residue 411
Atom CA of residue 391
Atom CA of residue 110
Atom CG1 of residue 180
Atom CB of residue 151
Atom O of residue 432
LEU
THR
Atom ND1 of residue 591
Atom OE1 of residue 410
Atom N of residue 432
Atom OG of residue 383
Atom CG of residue 410
Atom CB of residue 410
Atom CA of residue 64
Atom O of residue 530
Atom O of residue 410
Atom C of residue 410
Atom CA of residue 187
Atom N of residue 113
Atom CD1 of residue 19
Atom CA of residue 410
Atom CB of residue 342
Atom OE1 of residue 153
Atom C of residue 335
GLU
Atom C of residue 387
Atom N of residue 410
Atom C of residue 638
Atom C of residue 130
Atom CA of residue 409
Atom N of residue 342
Atom N of residue 335
Atom N of residue 409
Atom C of residue 148
Atom CZ of residue 429
Atom N of residue 220
Atom CA of residue 408
Atom CG2 of residue 407
Atom OG1 of residue 407
Atom N of residue 132
Atom CE1 of residue 355
Atom O of residue 407
Atom CA of residue 255
Atom CA of residue 407
ALA
GLU
Atom N of residue 407
Atom O of residue 18
Atom CD2 of residue 406
Atom OD1 of residue 129
Atom CA of residue 240
Atom CA of residue 67
Atom N of residue 290
Atom N of residue 593
Atom CG of residue 406
Atom CG of residue 643
Atom C of residue 406
Atom CG of residue 341
Atom O of residue 334
Atom CB of residue 433
Atom N of residue 270
Atom CG of residue 258
Atom O of residue 549
Atom CG2 of residue 353
Atom CB of residue 140
Atom OE2 of residue 405
Atom O of residue 353
Atom CG of residue 405
Atom CD1 of residue 150
Atom C of residue 548
Atom C of residue 353
Atom CB of residue 405
Atom CB of residue 403
Atom O of residue 403
Atom O of residue 658
Atom CG of residue 307
Atom CG2 of residue 214
Atom C of residue 498
GLU
TYR
Atom C of residue 171
Atom CZ of residue 657
Atom NH1 of residue 96
Atom C of residue 213
Atom O of residue 194
Atom N of residue 402
Atom OG of residue 401
Atom CA of residue 607
SER
Atom CD2 of residue 193
Atom CG of residue 496
Atom N of residue 401
ASP
Atom N of residue 657
ALA
Atom C of residue 360
Atom O of residue 170
Atom CB of residue 656
Atom C of residue 305
Atom C of residue 193
Atom O of residue 400
Atom CA of residue 606
Atom CA of residue 347
Atom CA of residue 248
LEU
LYS
Atom C of residue 263
Atom N of residue 170
Atom CG1 of residue 655
Atom O of residue 233
Atom OE1 of residue 144
Atom C of residue 655
VAL
Atom OE1 of residue 258
Atom CA of residue 247
Atom NH1 of residue 319
Atom CA of residue 421
Atom CA of residue 303
Atom CB of residue 494
Atom C of residue 398
Atom CB of residue 29
Atom CD of residue 97
Atom OG of residue 28
Atom O of residue 357
Atom NZ of residue 167
Atom CA of residue 653
Atom N of residue 397
SER
Atom CG of residue 22
Atom CD1 of residue 189
Atom OG of residue 492
Atom CB of residue 396
Atom O of residue 27
CYS
Atom CG of residue 652
Atom CA of residue 396
Atom CA of residue 602
ALA
GLY
Atom N of residue 394
Atom CB of residue 393
Atom O of residue 393
Atom N of residue 187
Atom CA of residue 393
Atom CD2 of residue 135
Atom N of residue 539
Atom CG2 of residue 392
Atom CG1 of residue 392
Atom CB of residue 392
SER
Atom C of residue 89
Atom CA of residue 392
Atom NE2 of residue 391
Atom CD2 of residue 87
Atom CG of residue 184
Atom N of residue 115
Atom CA of residue 184
Atom CA of residue 109
Atom CA of residue 390
Atom C of residue 208
Atom O of residue 596
Atom NE2 of residue 387
Atom CD of residue 181
SER
Atom O of residue 105
Atom N of residue 386
Atom CB of residue 289
Atom NE of residue 592
Atom C of residue 444
Atom CG2 of residue 385
Atom ND1 of residue 444
Atom CG of residue 83
Atom CD1 of residue 411
Atom CG of residue 592
VAL
Atom CB of residue 385
Atom CA of residue 289
Atom CB of residue 592
Atom CA of residue 557
Atom NE2 of residue 444
Atom N of residue 284
Atom O of residue 385
LYS
Atom O of residue 592
Atom CB of residue 444
Atom C of residue 385
THR
GLY
Atom CB of residue 383
Atom CA of residue 383
VAL
Atom CA of residue 287
Atom O of residue 590
Atom N of residue 443
Atom N of residue 282
Atom NE2 of residue 382
Atom CA of residue 430
GLN
Atom C of residue 60
Atom N of residue 201
Atom C of residue 588
Atom CB of residue 279
Atom N of residue 381
Atom C of residue 6
Atom CZ of residue 379
Atom NH1 of residue 167
Atom O of residue 278
Atom CE1 of residue 379
GLN
Atom CD2 of residue 379
Atom CG of residue 586
Atom CE1 of residue 226
Atom O of residue 379
Atom CB of residue 586
Atom CG1 of residue 277
Atom C of residue 379
PHE
Atom N of residue 379
Atom CB of residue 146
Atom O of residue 226
VAL
Atom SG of residue 378
Atom N of residue 226
Atom N of residue 427
Atom CG of residue 197
Atom C of residue 585
Atom CB of residue 276
Atom N of residue 378
Atom CG2 of residue 377
Atom C of residue 224
Atom CA of residue 438
Atom O of residue 376
Atom C of residue 165
Atom CZ2 of residue 72
Atom CB of residue 223
Atom SG of residue 375
Atom CA of residue 375
Atom CG2 of residue 283
Atom CB of residue 190
CYS
Atom CG of residue 374
Atom CG of residue 163
ASP
Atom CD2 of residue 400
Atom CB of residue 163
Atom OG of residue 373
Atom CA of residue 163
HIS
Atom O of residue 373
Atom CA of residue 373
Atom CB of residue 630
Atom C of residue 281
SER
Atom C of residue 392
Atom CG of residue 122
Atom CA of residue 630
Atom CB of residue 372
Atom O of residue 372
LEU
Atom O of residue 359
Atom O of residue 655
Atom C of residue 258
Atom O of residue 232
SER
Atom O of residue 420
Atom C of residue 432
Atom CB of residue 186
Atom CA of residue 79
Atom C of residue 369
Atom CB of residue 278
Atom CD of residue 69
Atom O of residue 138
Atom O of residue 419
Atom CE2 of residue 318
Atom OG1 of residue 560
Atom N of residue 369
Atom CG of residue 72
Atom CA of residue 368
ILE
Atom CD1 of residue 418
Atom CD2 of residue 158
Atom N of residue 138
Atom O of residue 418
Atom O of residue 625
Atom N of residue 50
Atom CA of residue 466
Atom CD1 of residue 268
Atom CB of residue 277
Atom CG of residue 367
Atom CG2 of residue 624
ALA
Atom CG1 of residue 558
ASP
Atom C of residue 624
Atom OG of residue 48
Atom C of residue 267
Atom NH2 of residue 89
Atom CA of residue 366
Atom O of residue 370
Atom SG of residue 562
Atom CB of residue 416
Atom N of residue 623
Atom CA of residue 266
Atom CA of residue 365
Atom CZ of residue 648
LEU
THR
Atom O of residue 340
Atom N of residue 392
ILE
Atom CA of residue 68
GLY
CYS
Atom CG of residue 320
Atom N of residue 416
Atom CG of residue 265
Atom CB of residue 364
Atom CA of residue 235
Atom C of residue 622
TYR
Atom CB of residue 265
Atom O of residue 156
Atom OG of residue 462
PRO
Atom O of residue 363
Atom CD1 of residue 319
LEU
Atom OG1 of residue 264
Atom N of residue 70
ALA
Atom CA of residue 274
Atom N of residue 363
Atom NH2 of residue 510
Atom CE2 of residue 362
Atom CD1 of residue 362
Atom O of residue 62
LEU
Atom N of residue 460
Atom CA of residue 261
Atom CA of residue 65
Atom N of residue 361
Atom N of residue 359
Atom O of residue 383
Atom NH1 of residue 357
Atom O of residue 337
PRO
GLY
Atom O of residue 77
Atom CG2 of residue 380
Atom CB of residue 429
Atom C of residue 508
Atom CG1 of residue 131
Atom CB of residue 355
Atom NE2 of residue 587
Atom O of residue 380
Atom CA of residue 429
Atom CB of residue 37
Atom CA of residue 355
Atom CB of residue 354
Atom CA of residue 354
Atom CB of residue 379
Atom CB of residue 669
Atom N of residue 354
TRP
Atom C of residue 226
Atom CD1 of residue 74
Atom CB of residue 378
THR
Atom CD2 of residue 276
Atom O of residue 4
Atom O of residue 378
Atom O of residue 668
Atom N of residue 353
Atom CG of residue 585
Atom CG of residue 439
Atom CD1 of residue 276
Atom C of residue 4
Atom C of residue 378
Atom C of residue 668
Atom CD1 of residue 216
GLU
Atom O of residue 352
Atom CG of residue 216
Atom N of residue 405
Atom C of residue 352
Atom N of residue 150
Atom NH2 of residue 659
Atom N of residue 352
Atom NE2 of residue 449
Atom CA of residue 263
Atom CD2 of residue 351
Atom SG of residue 308
Atom CA of residue 196
Atom CG of residue 499
Atom CD1 of residue 351
Atom CG of residue 426
Atom NE of residue 659
Atom CG of residue 351
Atom N of residue 225
Atom CB of residue 426
Atom N of residue 4
Atom C of residue 377
Atom CD of residue 659
Atom O of residue 358
Atom C of residue 654
GLU
Atom CB of residue 351
Atom CB of residue 61
Atom O of residue 351
Atom OE1 of residue 215
Atom CA of residue 499
Atom CD1 of residue 143
Atom C of residue 351
Atom O of residue 659
Atom CG of residue 215
Atom OE1 of residue 403
Atom O of residue 609
Atom CD of residue 262
LEU
Atom CB of residue 215
Atom CD of residue 403
Atom OE2 of residue 498
Atom N of residue 351
Atom CB of residue 262
Atom CG2 of residue 350
Atom CA of residue 195
Atom CG of residue 498
Atom CB of residue 350
Atom CD2 of residue 307
Atom CB of residue 498
ILE
Atom O of residue 350
Atom CD1 of residue 307
Atom O of residue 498
Atom N of residue 143
Atom C of residue 350
Atom C of residue 102
Atom CH2 of residue 33
Atom C of residue 608
Atom C of residue 250
Atom CA of residue 261
THR
Atom CA of residue 250
Atom O of residue 349
Atom CE of residue 260
Atom CB of residue 447
Atom OG of residue 249
GLY
Atom N of residue 120
GLY
Atom N of residue 497
Atom CD2 of residue 348
Atom CA of residue 260
Atom CA of residue 249
Atom CG of residue 348
Atom CB of residue 348
Atom CG2 of residue 347
Atom CG of residue 248
Atom OG1 of residue 347
Atom O of residue 248
Atom O of residue 347
Atom O of residue 247
Atom C of residue 346
Atom C of residue 141
Atom CA of residue 346
Atom CB of residue 246
Atom CB of residue 345
GLU
Atom O of residue 246
Atom O of residue 345
Atom CA of residue 307
Atom CB of residue 402
Atom CD2 of residue 602
Atom CB of residue 344
Atom CA of residue 92
Atom CD of residue 540
Atom NE2 of residue 342
Atom N of residue 651
Atom CB of residue 342
Atom CB of residue 354
Atom N of residue 165
Atom CB of residue 650
LEU
Atom CB of residue 136
Atom N of residue 540
Atom OG of residue 490
Atom O of residue 159
Atom CA of residue 342
Atom N of residue 341
Atom N of residue 159
Atom ND2 of residue 340
Atom CG2 of residue 410
Atom CE1 of residue 648
Atom CA of residue 340
Atom CG2 of residue 339
TYR
Atom C of residue 338
Atom CB of residue 368
Atom CA of residue 560
Atom CZ of residue 414
Atom CG of residue 132
ALA
GLU
Atom CB of residue 237
GLY
Atom CG of residue 343
Atom C of residue 336
Atom CG of residue 413
VAL
PRO
Atom CG2 of residue 335
Atom CA of residue 413
Atom C of residue 361
Atom O of residue 342
Atom CB of residue 335
Atom C of residue 342
Atom O of residue 335
Atom CA of residue 272
Atom OD2 of residue 360
ALA
THR
Atom CZ of residue 412
Atom OD1 of residue 360
Atom CD1 of residue 341
Atom CG of residue 433
Atom CB of residue 334
Atom CA of residue 334
Atom N of residue 158
Atom C of residue 65
Atom CG of residue 411
PRO
Atom C of residue 359
Atom N of residue 152
Atom CB of residue 333
Atom OD1 of residue 238
Atom OG of residue 65
Atom CB of residue 411
Atom N of residue 199
Atom CG2 of residue 180
VAL
Atom O of residue 411
Atom CA of residue 385
Atom CA of residue 128
Atom C of residue 151
Atom CB of residue 432
Atom C of residue 333
GLY
Atom N of residue 333
Atom O of residue 39
Atom O of residue 357
Atom CG1 of residue 338
Atom OD1 of residue 149
Atom C of residue 230
Atom O of residue 230
Atom CB of residue 331
Atom CG2 of residue 13
Atom CE2 of residue 244
Model 0
Atom N of residue 329
Atom CB of residue 328
Atom O of residue 328
TYR
Atom CA of residue 328
Atom C of residue 440
Atom CA of residue 101
Atom CA of residue 478
Atom N of residue 328
Atom CG of residue 327
Atom CB of residue 327
Atom C of residue 327
Atom CA of residue 477
PRO
Atom N of residue 327
Atom CA of residue 277
Atom CD2 of residue 74
Atom OG of residue 326
Atom CB of residue 180
Atom C of residue 104
Atom CB of residue 326
Atom O of residue 326
Atom C of residue 326
THR
Atom CA of residue 326
Atom CB of residue 122
SER
Atom N of residue 668
GLY
THR
Atom CE2 of residue 325
Atom CG of residue 325
Atom CB of residue 325
Atom O of residue 325
Atom N of residue 241
Atom CA of residue 325
TYR
Atom N of residue 325
Atom CD2 of residue 324
Atom CG of residue 324
Atom CA of residue 389
Atom CB of residue 324
Atom N of residue 148
LEU
Atom CA of residue 632
Atom C of residue 324
Atom SG of residue 323
Atom O of residue 323
Atom O of residue 322
Atom C of residue 322
Atom CA of residue 322
ALA
Atom CG of residue 321
Atom C of residue 321
Atom CA of residue 520
Atom N of residue 69
Atom N of residue 321
Atom CA of residue 372
Atom CE1 of residue 116
Atom OD1 of residue 320
Atom N of residue 236
Atom C of residue 320
Atom CA of residue 320
Atom N of residue 271
Atom CG of residue 275
Atom OG1 of residue 3
Atom CE1 of residue 115
Atom CZ of residue 319
Atom CB of residue 275
Atom CB of residue 3
CYS
Atom CD2 of residue 115
Atom NE of residue 319
Atom N of residue 345
Atom N of residue 67
Atom CD of residue 319
Atom CG of residue 319
Atom C of residue 319
Atom CB of residue 274
Atom SD of residue 2
ARG
Atom O of residue 274
Atom CG of residue 2
Atom N of residue 319
Atom OH of residue 138
GLY
Atom CZ of residue 66
Atom CD2 of residue 318
Atom CA of residue 96
Atom CE1 of residue 318
Atom OE1 of residue 211
SER
Atom SG of residue 626
Atom O of residue 233
Atom N of residue 516
Atom CG of residue 71
Atom CD1 of residue 318
SER
Atom N of residue 396
Atom CG of residue 318
Atom C of residue 273
Atom CB of residue 1
Atom N of residue 626
PHE
Atom ND2 of residue 317
Atom O of residue 49
Atom C of residue 625
Atom OD1 of residue 317
GLY
Atom CG of residue 317
Atom N of residue 113
Atom N of residue 418
Atom C of residue 317
Atom O of residue 48
Atom CB of residue 624
ASN
Atom O of residue 316
Atom CA of residue 137
Atom C of residue 316
GLY
Atom CA of residue 316
GLY
GLY
Atom OG1 of residue 623
Atom CZ2 of residue 371
HIS
Atom CB of residue 315
Atom O of residue 623
Atom C of residue 315
Atom C of residue 434
Atom N of residue 68
Atom CZ2 of residue 93
Atom CA of residue 682
ALA
Atom CB of residue 111
Atom N of residue 315
Atom C of residue 111
Atom O of residue 314
Atom CG1 of residue 622
Atom CD1 of residue 265
Atom CG of residue 66
Atom C of residue 314
Atom N of residue 314
Atom CD of residue 110
Atom OG1 of residue 313
Atom CB of residue 313
Atom O of residue 313
Atom C of residue 313
THR
Atom CG of residue 680
Atom CA of residue 66
Atom N of residue 313
Atom CA of residue 363
Atom CG1 of residue 312
Atom CB of residue 312
Atom CA of residue 680
GLN
Atom O of residue 312
Atom C of residue 312
Atom N of residue 312
Atom O of residue 679
Atom CE of residue 426
Atom CA of residue 180
Atom NE1 of residue 461
Atom CA of residue 206
Atom CD2 of residue 311
Atom CG2 of residue 81
Atom C of residue 679
Atom CD1 of residue 311
Atom CB of residue 311
Atom OE1 of residue 413
Atom CE1 of residue 205
Atom O of residue 311
Atom OH of residue 90
Atom C of residue 311
Atom CA of residue 179
Atom N of residue 461
Atom CB of residue 205
Atom CG2 of residue 310
Atom C of residue 205
Atom OH of residue 107
Atom CG1 of residue 310
Atom CZ of residue 107
Atom CB of residue 310
Atom CA of residue 205
Atom O of residue 310
Atom C of residue 310
Atom CA of residue 310
Atom O of residue 409
Atom CD1 of residue 276
Atom CB of residue 677
Atom OD1 of residue 204
Atom CA of residue 225
VAL
Atom CG2 of residue 309
Atom N of residue 136
Atom C of residue 416
PRO
Atom O of residue 61
Atom CB of residue 309
GLN
Atom OE1 of residue 433
Atom CG2 of residue 334
Atom CE1 of residue 643
Atom O of residue 309
ASN
Atom C of residue 309
Atom O of residue 88
Atom CA of residue 617
Atom CG of residue 415
ALA
Atom N of residue 259
PHE
Atom CA of residue 629
Atom O of residue 308
Atom OE2 of residue 410
Atom CE1 of residue 591
Atom CA of residue 384
GLY
Atom C of residue 457
Atom NH2 of residue 357
Atom CZ of residue 104
Atom O of residue 257
Atom NH2 of residue 306
THR
Atom C of residue 133
Atom NH1 of residue 306
ARG
Atom CD of residue 306
Atom CD1 of residue 131
Atom CD of residue 639
Atom CB of residue 430
Atom CB of residue 231
Atom C of residue 331
Atom N of residue 104
GLY
Atom CB of residue 256
Atom NH2 of residue 312
Atom N of residue 127
Atom CG of residue 306
Atom CG1 of residue 200
Atom C of residue 78
Atom CB of residue 103
Atom N of residue 268
Atom O of residue 256
Atom O of residue 103
Atom O of residue 267
Atom C of residue 256
Atom NE2 of residue 613
Atom C of residue 306
Atom CB of residue 255
Atom CB of residue 102
Atom NH1 of residue 199
Atom C of residue 125
Atom CB of residue 305
SER
Atom N of residue 305
Atom OD1 of residue 254
Atom CD1 of residue 304
CYS
Atom N of residue 279
Atom C of residue 77
Atom O of residue 429
Atom O of residue 355
Atom CG of residue 254
Atom CD of residue 101
Atom CA of residue 254
Atom CA of residue 315
Atom C of residue 203
GLU
Atom NH1 of residue 303
Atom CA of residue 298
Atom CG of residue 253
Atom C of residue 354
PRO
Atom CB of residue 253
Atom NE of residue 303
Atom OE2 of residue 145
Atom CD2 of residue 123
LEU
Atom CB of residue 428
Atom O of residue 303
Atom O of residue 428
Atom C of residue 303
Atom CB of residue 145
Atom CD of residue 405
Atom CG of residue 314
SER
SER
Atom CG1 of residue 252
ARG
LEU
Atom N of residue 303
Atom N of residue 180
Atom CD of residue 585
Atom O of residue 427
Atom CD1 of residue 263
Atom CA of residue 252
Atom CD of residue 302
Atom C of residue 313
Atom SD of residue 201
ALA
Atom C of residue 302
Atom C of residue 179
PRO
Atom OE1 of residue 426
Atom CD2 of residue 325
GLN
GLN
Atom N of residue 585
Atom OE1 of residue 145
Atom CD of residue 426
Atom N of residue 302
Atom CG2 of residue 200
THR
Atom C of residue 196
Atom CA of residue 572
Atom O of residue 426
Atom C of residue 307
Atom O of residue 301
SER
Atom CA of residue 426
SER
Atom NH2 of residue 97
GLU
Atom N of residue 301
Atom N of residue 306
Atom N of residue 200
Atom O of residue 125
Atom N of residue 195
Atom O of residue 120
Atom O of residue 300
Atom CG of residue 425
Atom NH1 of residue 194
Atom CA of residue 300
Atom O of residue 324
ALA
Atom N of residue 300
Atom O of residue 239
Atom CA of residue 324
Atom CB of residue 299
Atom O of residue 299
Atom O of residue 124
ASP
Atom C of residue 299
Atom CB of residue 323
ALA
Atom C of residue 323
Atom ND2 of residue 298
Atom OD1 of residue 298
Atom CG of residue 298
SER
Atom CB of residue 298
Atom OE2 of residue 569
Atom CG of residue 222
ILE
Atom O of residue 298
Atom CA of residue 76
Atom N of residue 380
Atom N of residue 298
Atom C of residue 32
Atom CD1 of residue 297
Atom CG of residue 297
Atom CA of residue 32
Atom CB of residue 297
Atom C of residue 297
Atom CD2 of residue 31
Atom C of residue 234
Atom CA of residue 95
Atom N of residue 297
Atom CA of residue 31
GLY
Atom OE1 of residue 211
Atom O of residue 296
Atom O of residue 308
Atom N of residue 605
Atom CD of residue 211
Atom C of residue 296
ASP
ASP
Atom CA of residue 296
Atom O of residue 30
Atom CG2 of residue 359
Atom CB of residue 169
Atom CA of residue 655
Atom CA of residue 495
Atom CA of residue 399
VAL
Atom CB of residue 30
GLU
Atom NH2 of residue 295
Atom N of residue 94
Atom C of residue 598
Atom NH1 of residue 295
Atom CZ of residue 295
Atom N of residue 164
Atom N of residue 544
Atom NE of residue 295
Atom CG of residue 139
Atom CA of residue 210
Atom CD of residue 295
Atom CB of residue 603
Atom CG of residue 295
Atom O of residue 603
Atom CB of residue 295
ALA
Atom O of residue 295
Atom CA of residue 139
Atom N of residue 23
Atom C of residue 295
Atom N of residue 603
ARG
Atom CE1 of residue 602
Atom OG of residue 294
Atom CD of residue 409
Atom O of residue 350
Atom C of residue 244
Atom C of residue 294
Atom CB of residue 114
ARG
Atom CZ of residue 318
Atom CB of residue 602
GLN
Atom CA of residue 244
Atom CA of residue 294
Atom OD1 of residue 652
Atom CA of residue 344
Atom CA of residue 162
GLY
Atom C of residue 301
Atom CG of residue 92
SER
Atom CB of residue 92
Atom N of residue 294
Atom O of residue 92
Atom OH of residue 293
Atom C of residue 92
Atom CZ of residue 293
Atom CE1 of residue 293
Atom CD1 of residue 293
Atom N of residue 21
Atom O of residue 293
TYR
Atom CG of residue 136
Atom NE2 of residue 90
Atom N of residue 293
Atom O of residue 292
Atom CD2 of residue 207
Atom C of residue 292
PRO
Atom C of residue 342
Atom CA of residue 594
GLY
LYS
Atom N of residue 292
Atom O of residue 291
Atom CA of residue 291
Atom NE of residue 299
Atom CA of residue 490
ALA
Atom C of residue 341
Atom CB of residue 593
Atom CB of residue 290
Atom CA of residue 89
Atom CA of residue 593
Atom CA of residue 290
Atom OH of residue 47
Atom CG of residue 464
Atom CA of residue 347
Atom OD1 of residue 340
Atom CD of residue 258
GLN
Atom C of residue 71
Atom C of residue 340
ALA
Atom CA of residue 489
Atom N of residue 134
Atom C of residue 289
Atom C of residue 463
Atom CB of residue 648
Atom OG of residue 488
LEU
Atom O of residue 648
Atom O of residue 297
Atom CB of residue 488
Atom N of residue 289
Atom CA of residue 488
Atom N of residue 592
Atom CB of residue 288
Atom O of residue 64
LEU
Atom O of residue 288
Atom C of residue 288
Atom CA of residue 288
Atom CB of residue 536
Atom C of residue 296
Atom O of residue 487
Atom NH1 of residue 237
Atom N of residue 288
Atom CD2 of residue 287
Atom O of residue 641
Atom CA of residue 536
Atom CG of residue 287
Atom CB of residue 287
Atom O of residue 287
Atom C of residue 287
Atom N of residue 344
Atom CA of residue 435
Atom OG of residue 485
Atom CD2 of residue 286
Atom O of residue 286
Atom C of residue 286
Atom C of residue 153
Atom CB of residue 434
Atom CA of residue 387
Atom CB of residue 285
Atom OE2 of residue 84
Atom O of residue 285
Atom C of residue 285
Atom CA of residue 285
Atom O of residue 130
Atom O of residue 638
Atom C of residue 533
Atom CB of residue 386
VAL
Atom N of residue 285
Atom CD2 of residue 643
Atom N of residue 484
Atom C of residue 386
Atom CG2 of residue 284
Atom C of residue 84
Atom N of residue 400
Atom CB of residue 406
Atom CA of residue 386
Atom CG1 of residue 284
Atom O of residue 284
Atom C of residue 284
Atom CA of residue 284
Atom N of residue 293
Atom C of residue 483
Atom CG1 of residue 333
Atom CA of residue 399
Atom CD of residue 340
Atom OD1 of residue 432
Atom CD2 of residue 411
Atom CG of residue 444
Atom CD1 of residue 283
Atom CG of residue 283
Atom CA of residue 444
Atom CB of residue 283
Atom N of residue 128
Atom O of residue 283
Atom C of residue 283
SER
Atom CB of residue 127
Atom C of residue 198
Atom CA of residue 283
Atom C of residue 443
LEU
Atom CG2 of residue 641
Atom CE1 of residue 443
Atom N of residue 283
Atom N of residue 198
Atom CD of residue 282
SER
Atom NE2 of residue 443
Atom CG of residue 282
GLY
Atom N of residue 127
Atom CB of residue 443
Atom CB of residue 282
Atom N of residue 64
Atom CE of residue 126
Atom CG2 of residue 80
Atom CG of residue 443
Atom O of residue 282
Atom SD of residue 126
Atom ND1 of residue 443
Atom C of residue 282
Atom O of residue 281
Atom C of residue 281
Atom N of residue 63
MET
Atom CE1 of residue 442
Atom CA of residue 281
Atom CG of residue 382
GLY
Atom O of residue 107
Atom N of residue 388
Atom N of residue 281
Atom O of residue 382
Atom CG2 of residue 280
GLY
Atom CG1 of residue 280
Atom N of residue 62
Atom CA of residue 382
Atom CB of residue 280
Atom O of residue 280
Atom CB of residue 381
Atom CB of residue 289
Atom CA of residue 78
VAL
Atom SG of residue 588
Atom C of residue 381
Atom CD of residue 279
Atom CB of residue 407
Atom N of residue 61
Atom CA of residue 381
VAL
Atom C of residue 229
Atom CG of residue 279
Atom O of residue 60
Atom O of residue 200
Atom CA of residue 588
Atom C of residue 7
Atom C of residue 279
Atom CA of residue 279
Atom CB of residue 288
Atom CA of residue 77
Atom CB of residue 380
PRO
Atom O of residue 228
Atom NE2 of residue 278
Atom CA of residue 380
Atom OE1 of residue 278
Atom CG of residue 454
Atom CD of residue 418
Atom ND2 of residue 354
Atom CG of residue 6
ALA
Atom CG of residue 278
GLU
Atom CG of residue 501
Atom N of residue 304
PHE
Atom CB of residue 278
Atom O of residue 59
Atom C of residue 278
Atom C of residue 384
Atom CZ of residue 167
Atom CA of residue 278
GLN
Atom CG of residue 379
Atom N of residue 278
Atom CB of residue 384
Atom CD of residue 167
Atom CG2 of residue 277
Atom N of residue 406
Atom CZ2 of residue 146
Atom CA of residue 123
Atom N of residue 526
Atom CB of residue 277
Atom O of residue 277
Atom C of residue 277
Atom N of residue 167
Atom N of residue 277
Atom O of residue 74
Atom CA of residue 378
Atom CG of residue 276
SER
Atom O of residue 276
Atom CA of residue 291
Atom N of residue 10
Atom CA of residue 585
Atom C of residue 276
Atom CA of residue 276
Atom CB of residue 377
LEU
Atom CA of residue 377
Atom OE1 of residue 275
Atom CD of residue 275
Atom CB of residue 79
LEU
Atom CG2 of residue 523
Atom N of residue 57
Atom O of residue 79
Atom N of residue 9
Atom O of residue 275
Atom C of residue 275
Atom CA of residue 81
Atom OG of residue 390
Atom C of residue 144
Atom ND2 of residue 425
Atom C of residue 8
Atom CA of residue 376
SER
Atom N of residue 8
Atom CB of residue 570
Atom CA of residue 223
Atom CG2 of residue 424
SER
Atom N of residue 7
Atom CD of residue 273
Atom O of residue 194
Atom CA of residue 570
Atom CB of residue 143
Atom O of residue 424
THR
Atom CB of residue 164
Atom C of residue 82
Atom CG2 of residue 472
Atom C of residue 424
Atom CD2 of residue 521
Atom CG of residue 436
LYS
Atom N of residue 273
Atom N of residue 6
Atom NH2 of residue 272
Atom OG of residue 5
Atom C of residue 629
Atom N of residue 272
Atom CG2 of residue 271
ILE
Atom CZ of residue 270
Atom CA of residue 72
Atom N of residue 219
Atom CA of residue 140
Atom CE2 of residue 270
Atom CZ of residue 160
Atom CD2 of residue 270
Atom O of residue 344
Atom N of residue 186
Atom CA of residue 369
Atom N of residue 212
Atom CZ of residue 78
Atom CA of residue 270
Atom C of residue 114
Atom OE2 of residue 269
Atom CD1 of residue 515
Atom CA of residue 269
Atom CA of residue 95
Atom CA of residue 50
GLU
Atom N of residue 269
Atom OD2 of residue 367
Atom N of residue 625
Atom N of residue 277
Atom O of residue 268
Atom CA of residue 49
Atom CA of residue 367
Atom O of residue 276
Atom C of residue 268
Atom N of residue 300
Atom CA of residue 394
ARG
SER
Atom O of residue 342
Atom O of residue 624
Atom C of residue 48
Atom O of residue 183
Atom NZ of residue 69
Atom OE1 of residue 366
Atom O of residue 267
Atom N of residue 94
Atom N of residue 48
Atom CA of residue 417
Atom CD of residue 429
Atom CG2 of residue 266
Atom CE2 of residue 64
Atom N of residue 366
Atom O of residue 464
Atom CB of residue 266
Atom O of residue 365
Atom C of residue 464
Atom O of residue 266
Atom CA of residue 135
Atom CA of residue 538
Atom CG of residue 489
Atom NH2 of residue 592
Atom CD2 of residue 289
Atom N of residue 111
Atom C of residue 428
Atom N of residue 266
Atom CA of residue 562
Atom CA of residue 371
Atom NE1 of residue 156
Atom N of residue 47
Atom C of residue 364
Atom O of residue 265
Atom CA of residue 156
Atom CG2 of residue 264
Atom N of residue 46
Atom CA of residue 264
Atom OD1 of residue 208
Atom CA of residue 596
Atom CB of residue 389
Atom CA of residue 155
Atom O of residue 263
Atom O of residue 389
SER
Atom C of residue 263
Atom CG2 of residue 154
GLY
ASN
Atom CB of residue 595
ALA
Atom N of residue 263
Atom N of residue 389
Atom CB of residue 154
Atom OG of residue 262
Atom CD2 of residue 183
Atom CB of residue 388
Atom CB of residue 62
Atom O of residue 154
Atom CB of residue 262
Atom CA of residue 595
Atom O of residue 388
Atom CA of residue 368
Atom C of residue 154
Atom N of residue 64
Atom O of residue 262
Atom N of residue 243
Atom CA of residue 69
Atom C of residue 388
Atom CB of residue 317
Atom N of residue 620
Atom C of residue 262
Atom CB of residue 594
ALA
Atom N of residue 154
SER
Atom N of residue 262
Atom OE1 of residue 387
Atom O of residue 153
Atom CG1 of residue 261
Atom CD of residue 387
Atom C of residue 153
Atom CB of residue 261
GLN
Atom O of residue 261
Atom CA of residue 153
Atom C of residue 261
Atom CB of residue 107
VAL
Atom N of residue 178
Atom N of residue 261
Atom C of residue 107
Atom CG2 of residue 260
Atom O of residue 89
Atom O of residue 290
Atom O of residue 593
Atom CD2 of residue 408
Atom N of residue 387
Atom CA of residue 107
Atom OG1 of residue 260
Atom CG2 of residue 400
Atom CA of residue 533
THR
Atom CB of residue 260
Atom O of residue 260
Atom C of residue 260
ASP
Atom N of residue 412
Atom CA of residue 670
Atom CA of residue 64
Atom CB of residue 271
Atom CA of residue 260
THR
Atom N of residue 260
Atom N of residue 550
Atom O of residue 259
Atom C of residue 259
Atom O of residue 203
Atom N of residue 85
Atom C of residue 61
Atom CA of residue 259
Atom NZ of residue 110
Atom CA of residue 42
Atom CZ of residue 105
GLY
Atom CG of residue 391
Atom N of residue 111
TYR
Atom CB of residue 105
Atom CD of residue 258
Atom CG of residue 288
ARG
Atom N of residue 385
HIS
Atom O of residue 384
Atom O of residue 482
Atom N of residue 411
Atom N of residue 444
Atom C of residue 384
Atom CA of residue 105
Atom O of residue 258
Atom C of residue 258
Atom O of residue 313
Atom O of residue 307
Atom N of residue 258
Atom NE of residue 104
Atom C of residue 257
Atom C of residue 383
Atom CA of residue 257
Atom C of residue 63
Atom CG of residue 126
Atom CA of residue 443
Atom CA of residue 282
Atom CB of residue 40
GLY
Atom NE2 of residue 256
Atom CD of residue 256
Atom CD of residue 382
Atom CB of residue 79
Atom CG of residue 256
GLN
Atom N of residue 78
ALA
GLY
Atom N of residue 256
Atom C of residue 33
Atom O of residue 102
Atom O of residue 255
Atom C of residue 177
Atom CZ of residue 266
Atom C of residue 255
ALA
CYS
SER
Atom ND2 of residue 254
Atom C of residue 304
Atom N of residue 266
Atom C of residue 254
Atom CA of residue 612
Atom NH2 of residue 303
Atom CD2 of residue 253
Atom CE2 of residue 379
Atom CD1 of residue 253
Atom CD of residue 303
Atom N of residue 265
Atom O of residue 253
Atom C of residue 253
Atom C of residue 264
Atom CA of residue 253
Atom NH1 of residue 251
Atom C of residue 312
Atom NZ of residue 609
Atom CE1 of residue 34
Atom CG of residue 609
Atom CB of residue 609
Atom N of residue 609
Atom CD1 of residue 250
Atom SG of residue 608
Atom CB of residue 608
Atom O of residue 608
SER
Atom CA of residue 414
Atom C of residue 260
Atom N of residue 250
Atom C of residue 349
Atom OE2 of residue 607
Atom CG of residue 167
Atom CG2 of residue 548
Atom OE1 of residue 101
Atom NE1 of residue 33
Atom OE1 of residue 607
Atom CA of residue 357
Atom CB of residue 167
Atom OG1 of residue 548
Atom CD of residue 607
Atom CB of residue 260
Atom CD1 of residue 348
Atom C of residue 249
Atom CB of residue 101
Atom CG of residue 33
Atom CB of residue 607
Atom NE of residue 496
Atom O of residue 348
Atom NH2 of residue 248
Atom NH1 of residue 248
Atom CD of residue 496
SER
Atom C of residue 348
Atom N of residue 607
LEU
Atom O of residue 446
Atom CZ of residue 248
Atom C of residue 446
Atom N of residue 348
Atom NE of residue 248
Atom CD1 of residue 606
Atom CD of residue 248
Atom CG of residue 606
Atom CB of residue 606
Atom CB of residue 347
Atom CB of residue 248
Atom O of residue 606
Atom NH2 of residue 495
Atom CD1 of residue 259
Atom C of residue 248
Atom C of residue 347
Atom N of residue 123
THR
Atom O of residue 445
ARG
Atom N of residue 606
Atom C of residue 445
Atom N of residue 248
Atom O of residue 605
Atom CG2 of residue 346
Atom CE of residue 247
Atom CA of residue 354
Atom CB of residue 259
Atom N of residue 347
Atom CA of residue 309
Atom C of residue 605
Atom N of residue 354
TRP
Atom SD of residue 247
Atom CA of residue 604
Atom N of residue 258
Atom C of residue 246
Atom C of residue 345
Atom CA of residue 246
Atom CA of residue 345
Atom CD2 of residue 76
Atom CA of residue 603
Atom NE2 of residue 344
Atom CB of residue 245
Atom CA of residue 295
Atom OE1 of residue 344
Atom O of residue 245
Atom ND1 of residue 602
Atom O of residue 294
Atom OE1 of residue 409
Atom O of residue 244
Atom C of residue 344
Atom OE2 of residue 211
Atom CA of residue 542
Atom N of residue 138
Atom N of residue 244
Atom CD2 of residue 293
Atom CA of residue 350
Atom OE1 of residue 255
Atom O of residue 343
Atom O of residue 601
Atom CD of residue 255
Atom C of residue 343
Atom C of residue 601
Atom CG of residue 293
Atom O of residue 349
ASP
Atom C of residue 243
GLN
Atom N of residue 136
Atom C of residue 465
Atom C of residue 321
Atom CD of residue 209
Atom C of residue 117
Atom OG of residue 599
Atom CG1 of residue 241
Atom CE2 of residue 411
Atom N of residue 259
VAL
Atom O of residue 341
HIS
Atom C of residue 209
Atom CA of residue 599
Atom OD1 of residue 186
Atom CA of residue 241
Atom O of residue 116
Atom O of residue 186
Atom C of residue 238
ILE
Atom OE1 of residue 132
SER
Atom C of residue 237
Atom CG2 of residue 20
Atom C of residue 236
Atom N of residue 388
Atom CE2 of residue 107
Atom CA of residue 446
Atom CA of residue 193
Atom CB of residue 235
Atom O of residue 235
Atom CB of residue 401
Atom CA of residue 235
HIS
Atom C of residue 569
Atom C of residue 423
Atom C of residue 5
Atom CZ of residue 272
Atom N of residue 446
Atom N of residue 235
Atom OG1 of residue 94
Atom CG1 of residue 346
Atom CG2 of residue 233
Atom CA of residue 445
Atom CG2 of residue 655
VAL
Atom CA of residue 605
Atom CB of residue 346
Atom CG of residue 247
Atom N of residue 233
Atom C of residue 232
Atom O of residue 62
Atom CA of residue 339
Atom CA of residue 150
Atom O of residue 431
Atom N of residue 231
Atom CB of residue 431
Atom C of residue 332
Atom O of residue 553
Atom CG of residue 87
Atom CG of residue 313
Atom N of residue 128
Atom CA of residue 307
GLU
Atom CD2 of residue 230
Atom N of residue 332
Atom CD1 of residue 230
Atom C of residue 104
MET
Atom CG of residue 331
Atom CB of residue 230
Atom NE2 of residue 229
Atom CD of residue 350
Atom O of residue 255
Atom OD1 of residue 343
Atom N of residue 602
Atom CD of residue 243
Atom CA of residue 125
Atom C of residue 528
Atom N of residue 395
Atom CA of residue 229
HIS
Atom OG1 of residue 228
Atom O of residue 393
Atom CA of residue 228
THR
Atom O of residue 327
Atom C of residue 75
Atom NE2 of residue 226
GLU
Atom CB of residue 464
Atom CG1 of residue 266
ASP
Atom CG of residue 88
Atom C of residue 186
Atom SG of residue 223
Atom CB of residue 114
ARG
Atom CA of residue 165
Atom NE2 of residue 437
Atom CD2 of residue 190
Atom O of residue 375
Atom C of residue 223
Atom N of residue 125
Atom N of residue 102
CYS
Atom O of residue 260
Atom N of residue 448
LEU
Atom CD of residue 388
CYS
Atom C of residue 101
Atom CD of residue 164
Atom N of residue 223
Atom CD1 of residue 424
Atom NZ of residue 222
Atom CE of residue 222
Atom ND1 of residue 65
Atom CG of residue 361
Atom CE1 of residue 107
ALA
Atom N of residue 236
GLU
Atom CD of residue 501
Atom N of residue 199
Atom CG of residue 124
Atom NE2 of residue 193
Atom CA of residue 413
Atom N of residue 260
Atom CD of residue 446
Atom N of residue 249
Atom O of residue 222
LYS
Atom OG of residue 191
Atom OE1 of residue 219
Atom CA of residue 191
Atom OE1 of residue 518
Atom O of residue 219
Atom N of residue 320
Atom O of residue 72
Atom CA of residue 271
Atom C of residue 219
Atom CB of residue 332
ALA
Atom OD2 of residue 212
Atom C of residue 245
Atom CD of residue 344
Atom CA of residue 240
Atom CD of residue 627
Atom CB of residue 279
Atom CB of residue 369
Atom C of residue 517
Atom C of residue 212
Atom CA of residue 245
Atom CG of residue 344
Atom CA of residue 517
Atom N of residue 139
Atom CB of residue 419
Atom CA of residue 212
Atom CD2 of residue 137
Atom CB of residue 189
Atom CB of residue 626
Atom O of residue 368
Atom CG of residue 269
Atom C of residue 119
Atom CA of residue 189
Atom N of residue 566
Atom C of residue 323
Atom CE1 of residue 418
Atom O of residue 211
Atom CG of residue 343
Atom NE2 of residue 1
Atom O of residue 50
Atom O of residue 626
Atom C of residue 368
Atom CB of residue 269
Atom SG of residue 601
Atom CG of residue 243
Atom C of residue 211
Atom OG of residue 188
GLU
Atom CG2 of residue 380
Atom OG1 of residue 95
Atom OG of residue 50
Atom C of residue 94
Atom CG of residue 322
Atom CB of residue 210
Atom N of residue 228
Atom CA of residue 321
Atom CG of residue 209
Atom CB of residue 341
Atom O of residue 209
Atom C of residue 682
Atom CG2 of residue 208
Atom CB of residue 88
Atom CB of residue 303
Atom CB of residue 398
Atom CD2 of residue 116
Atom CE1 of residue 71
Atom OE2 of residue 163
Atom CE2 of residue 648
Atom CD of residue 158
Atom O of residue 239
Atom CA of residue 208
Atom CG of residue 207
Atom CB of residue 339
Atom CB of residue 135
Atom CA of residue 512
Atom O of residue 207
Atom CA of residue 251
Atom O of residue 339
Atom CZ of residue 680
Atom CB of residue 71
Atom C of residue 207
Atom ND1 of residue 87
Atom CB of residue 302
Atom CD1 of residue 115
Atom CB of residue 157
Atom O of residue 238
Atom O of residue 71
Atom C of residue 228
Atom CA of residue 207
Atom CB of residue 184
Atom N of residue 207
Atom CG of residue 156
Atom NE of residue 237
Atom O of residue 206
Atom CB of residue 156
Atom CD of residue 237
Atom CG of residue 16
Atom CE2 of residue 183
Atom SG of residue 679
VAL
Atom C of residue 206
SER
Atom CG of residue 165
Atom N of residue 224
Atom C of residue 226
GLU
GLY
Atom CA of residue 132
Atom CA of residue 337
Atom N of residue 132
Atom CD2 of residue 461
Atom CG of residue 226
Atom N of residue 206
Atom O of residue 237
Atom N of residue 337
Atom N of residue 414
Atom O of residue 236
Atom CA of residue 341
Atom CB of residue 678
Atom C of residue 461
Atom CD1 of residue 205
Atom CA of residue 678
Atom O of residue 205
Atom CG2 of residue 63
Atom O of residue 413
Atom C of residue 19
Atom O of residue 321
Atom N of residue 210
Atom N of residue 44
Atom CB of residue 460
Atom CG of residue 225
PHE
Atom CG1 of residue 677
Atom C of residue 460
SER
Atom CA of residue 316
Atom OD2 of residue 204
ALA
Atom CB of residue 204
Atom CA of residue 276
Atom CA of residue 677
Atom O of residue 204
Atom CA of residue 508
Atom CD of residue 412
Atom O of residue 275
Atom CB of residue 676
Atom N of residue 157
Atom CA of residue 555
Atom O of residue 459
Atom CB of residue 152
ASP
Atom N of residue 546
Atom O of residue 234
Atom CG of residue 507
Atom N of residue 204
Atom CB of residue 129
ILE
Atom CA of residue 232
Atom CB of residue 203
ALA
Atom O of residue 84
Atom OG1 of residue 270
Atom CA of residue 61
Atom C of residue 223
Atom CA of residue 203
THR
Atom CD2 of residue 84
Atom CA of residue 675
Atom CB of residue 458
Atom CG1 of residue 202
Atom N of residue 88
Atom N of residue 84
Atom O of residue 458
Atom CB of residue 202
Atom C of residue 432
Atom C of residue 458
Atom O of residue 202
Atom C of residue 222
Atom CA of residue 202
Atom C of residue 390
Atom CB of residue 109
VAL
Atom CA of residue 82
Atom N of residue 202
Atom CE of residue 201
Atom CD2 of residue 179
Atom OE1 of residue 222
Atom CD1 of residue 81
Atom CB of residue 553
Atom N of residue 674
Atom N of residue 383
Atom CG of residue 179
Atom CB of residue 201
Atom N of residue 296
Atom NE of residue 16
Atom C of residue 108
Atom CB of residue 179
Atom C of residue 127
Atom O of residue 201
Atom O of residue 179
Atom N of residue 257
Atom CA of residue 313
Atom C of residue 201
VAL
Atom CA of residue 201
Atom N of residue 313
Atom CZ of residue 306
Atom OE1 of residue 256
Atom N of residue 201
Atom N of residue 179
Atom C of residue 15
Atom CB of residue 178
Atom CB of residue 200
Atom CG2 of residue 386
Atom O of residue 288
Atom OG1 of residue 77
SER
Atom C of residue 455
Atom OE1 of residue 311
Atom CA of residue 502
Atom CB of residue 199
THR
Atom CG of residue 311
Atom C of residue 199
Atom C of residue 176
Atom CG1 of residue 380
Atom CA of residue 199
Atom O of residue 265
Atom N of residue 61
GLY
Atom O of residue 310
Atom C of residue 198
VAL
Atom CB of residue 86
Atom NE2 of residue 99
Atom C of residue 669
Atom C of residue 656
Atom CG of residue 145
Atom CB of residue 310
Atom OE1 of residue 405
Atom CB of residue 74
Atom C of residue 202
Atom N of residue 129
Atom C of residue 216
Atom N of residue 197
Atom CA of residue 198
Atom C of residue 586
Atom CA of residue 428
Atom NE2 of residue 302
Atom CD1 of residue 196
Atom N of residue 187
Atom C of residue 370
Atom CB of residue 562
Atom CD2 of residue 371
Atom CA of residue 89
Atom CZ2 of residue 156
ASN
Atom O of residue 416
Atom CD1 of residue 93
VAL
Atom CB of residue 99
Atom CG2 of residue 196
Atom CA of residue 145
Atom O of residue 405
Atom CB of residue 104
Atom CZ of residue 166
ALA
Atom CD of residue 122
Atom CG1 of residue 196
Atom O of residue 103
Atom O of residue 121
Atom CB of residue 383
Atom CD1 of residue 166
Atom N of residue 74
CYS
Atom OD2 of residue 416
TRP
Atom CD of residue 144
Atom CB of residue 216
Atom CD of residue 404
ILE
Atom N of residue 196
Atom CB of residue 359
Atom CB of residue 144
Atom CB of residue 404
Atom CZ of residue 245
Atom OG1 of residue 633
Atom C of residue 57
Atom NE of residue 73
CYS
Atom OE2 of residue 195
Atom O of residue 144
Atom O of residue 404
Atom CD1 of residue 325
Atom CD of residue 73
Atom C of residue 144
Atom C of residue 404
Atom OD1 of residue 224
Atom NE2 of residue 438
THR
Atom CD of residue 125
Atom N of residue 633
Atom C of residue 73
Atom CG2 of residue 143
Atom OE2 of residue 403
Atom CA of residue 103
Atom CB of residue 438
Atom N of residue 377
Atom CA of residue 120
Atom CZ of residue 165
Atom CA of residue 73
Atom CE2 of residue 307
GLN
Atom CD of residue 498
Atom C of residue 195
ASP
Atom NH2 of residue 194
Atom N of residue 632
Atom CG of residue 381
Atom CB of residue 96
ARG
Atom NE1 of residue 72
Atom O of residue 223
Atom CB of residue 375
Atom CG2 of residue 631
Atom C of residue 55
Atom CE2 of residue 239
LEU
Atom N of residue 261
THR
Atom CB of residue 437
Atom C of residue 375
Atom CE1 of residue 239
Atom N of residue 119
Atom CZ of residue 306
Atom C of residue 194
Atom N of residue 299
Atom NH2 of residue 496
MET
Atom N of residue 447
SER
Atom N of residue 424
Atom CB of residue 222
Atom O of residue 328
Atom C of residue 118
Atom CG of residue 96
Atom CG of residue 306
Atom CE1 of residue 193
Atom CB of residue 272
Atom O of residue 116
Atom CB of residue 220
Atom O of residue 68
Atom O of residue 220
Atom C of residue 220
Atom CG1 of residue 296
Atom CB of residue 94
Atom O of residue 124
Atom CG1 of residue 271
Atom CD of residue 219
GLN
Atom CB of residue 191
Atom N of residue 189
Atom O of residue 466
Atom CD of residue 210
Atom C of residue 118
THR
SER
SER
Atom N of residue 188
Atom O of residue 25
Atom CB of residue 49
LYS
Atom CB of residue 268
Atom C of residue 367
ALA
PRO
Atom CB of residue 187
Atom CB of residue 417
Atom CG of residue 69
Atom CA of residue 90
THR
Atom CB of residue 72
SER
PRO
Atom CG of residue 186
Atom CE of residue 398
Atom CZ of residue 116
Atom CA of residue 24
Atom O of residue 210
Atom CA of residue 598
Atom C of residue 365
Atom CZ of residue 209
Atom O of residue 597
LEU
Atom O of residue 46
Atom O of residue 70
Atom C of residue 265
Atom C of residue 204
Atom CD2 of residue 184
Atom C of residue 156
LEU
Atom CD1 of residue 184
Atom CB of residue 264
Atom C of residue 184
Atom OE2 of residue 350
Atom C of residue 647
Atom O of residue 296
Atom CB of residue 487
PRO
Atom CB of residue 319
Atom NH2 of residue 414
ALA
Atom NH1 of residue 414
Atom C of residue 596
Atom CB of residue 224
Atom OG of residue 376
THR
Atom N of residue 390
Atom N of residue 264
Atom CG1 of residue 203
Atom CZ of residue 183
Atom CA of residue 203
Atom CE1 of residue 183
Atom O of residue 486
Atom CA of residue 389
Atom CD1 of residue 183
Atom CD2 of residue 295
Atom C of residue 486
LEU
Atom N of residue 318
Atom CE2 of residue 205
Atom CG of residue 183
Atom CD1 of residue 286
Atom CA of residue 388
Atom CA of residue 262
Atom NH1 of residue 434
Atom CA of residue 202
TYR
Atom OE1 of residue 213
Atom CB of residue 401
Atom CA of residue 194
Atom N of residue 183
Atom CG of residue 446
Atom CG of residue 193
Atom CG1 of residue 19
Atom O of residue 387
VAL
Atom CG of residue 204
Atom CD of residue 153
Atom CA of residue 434
Atom O of residue 293
Atom N of residue 182
Atom CB of residue 272
VAL
Atom N of residue 434
Atom OE2 of residue 181
Atom CD2 of residue 297
Atom OG of residue 221
VAL
Atom CA of residue 117
Atom OG of residue 347
Atom O of residue 252
Atom CG2 of residue 67
Atom OE1 of residue 181
Atom CD of residue 360
Atom OG1 of residue 170
Atom CA of residue 656
LEU
Atom CA of residue 234
Atom NZ of residue 275
Atom C of residue 676
Atom CD2 of residue 315
Atom CG2 of residue 203
GLY
Atom N of residue 43
Atom N of residue 555
Atom CE of residue 275
Atom CA of residue 676
Atom N of residue 271
Atom CA of residue 63
Atom CA of residue 152
Atom N of residue 84
GLU
Atom CG of residue 181
Atom CG of residue 116
Atom CA of residue 321
Atom CB of residue 181
Atom O of residue 23
Atom C of residue 181
Atom CD2 of residue 226
Atom O of residue 428
Atom C of residue 182
ALA
Atom CG1 of residue 208
Atom CB of residue 68
Atom CA of residue 327
Atom OD2 of residue 320
Atom CE1 of residue 187
Atom N of residue 372
Atom O of residue 326
Atom NH2 of residue 140
Atom O of residue 181
Atom CD2 of residue 187
Atom C of residue 68
Atom CG2 of residue 623
Atom N of residue 220
Atom C of residue 88
Atom O of residue 675
Atom C of residue 554
Atom C of residue 270
Atom CD of residue 458
Atom N of residue 203
Atom CB of residue 391
Atom O of residue 110
GLU
Atom O of residue 391
Atom C of residue 110
Atom N of residue 181
Atom CE of residue 258
Atom CB of residue 83
Atom N of residue 65
Atom O of residue 127
Atom O of residue 180
Atom C of residue 180
Atom N of residue 384
Atom N of residue 292
Atom CA of residue 180
Atom O of residue 290
Atom CA of residue 179
VAL
Atom CB of residue 107
SER
Atom C of residue 131
Atom C of residue 639
Atom CE1 of residue 229
Atom CA of residue 103
Atom N of residue 178
Atom C of residue 395
Atom CG of residue 125
Atom CD1 of residue 528
Atom CE1 of residue 429
Atom CG of residue 229
Atom CD1 of residue 455
Atom O of residue 14
TYR
Atom CA of residue 177
GLY
Atom CA of residue 176
Atom CB of residue 248
Atom CD2 of residue 60
Atom N of residue 386
Atom CB of residue 168
Atom CD1 of residue 60
Atom O of residue 440
Atom O of residue 385
Atom O of residue 168
Atom O of residue 117
Atom C of residue 187
Atom CA of residue 84
Atom C of residue 105
Atom O of residue 12
Atom N of residue 76
Atom N of residue 168
Atom N of residue 60
Atom CA of residue 171
Atom N of residue 146
Atom C of residue 85
Atom CG2 of residue 140
Atom NH2 of residue 59
LEU
Atom CG of residue 384
Atom NE of residue 167
SER
Atom C of residue 53
Atom N of residue 227
Atom NH1 of residue 59
Atom CG of residue 59
Atom O of residue 630
Atom CD2 of residue 122
Atom C of residue 99
Atom C of residue 167
Atom CD2 of residue 185
Atom CE of residue 205
Atom CD1 of residue 185
ARG
Atom N of residue 59
Atom CD1 of residue 82
Atom O of residue 10
Atom OH of residue 166
Atom O of residue 197
Atom N of residue 586
Atom CB of residue 427
Atom OE2 of residue 144
Atom CE2 of residue 166
Atom CA of residue 405
ALA
Atom OD1 of residue 285
Atom CE1 of residue 166
Atom C of residue 634
Atom CB of residue 58
Atom CB of residue 389
Atom CA of residue 10
Atom N of residue 122
Atom CG of residue 383
Atom CA of residue 74
Atom CD2 of residue 166
Atom OE1 of residue 103
Atom O of residue 166
Atom C of residue 166
Atom CA of residue 204
Atom O of residue 184
Atom O of residue 73
Atom NH1 of residue 284
ALA
Atom N of residue 166
GLU
Atom O of residue 120
Atom CB of residue 382
Atom CB of residue 73
Atom NH2 of residue 165
Atom NE of residue 165
Atom CB of residue 173
Atom CA of residue 659
Atom CA of residue 215
Atom CG of residue 403
Atom CB of residue 125
Atom C of residue 56
Atom CD of residue 165
Atom CA of residue 403
Atom CG2 of residue 336
Atom CA of residue 86
Atom N of residue 287
Atom C of residue 293
Atom O of residue 20
Atom CB of residue 183
Atom O of residue 183
Atom CB of residue 172
Atom CA of residue 658
Atom O of residue 101
Atom ND1 of residue 381
Atom N of residue 165
Atom C of residue 183
Atom CA of residue 214
Atom O of residue 402
Atom CA of residue 402
Atom C of residue 380
Atom C of residue 164
Atom C of residue 436
Atom CB of residue 374
Atom CA of residue 164
Atom N of residue 594
Atom O of residue 85
Atom CG of residue 387
LEU
Atom O of residue 19
Atom CB of residue 182
Atom CA of residue 15
Atom N of residue 485
Atom C of residue 85
Atom CB of residue 387
Atom N of residue 286
Atom O of residue 182
Atom CG of residue 657
Atom CD of residue 213
Atom O of residue 401
Atom CH2 of residue 630
Atom CB of residue 380
Atom N of residue 164
Atom O of residue 360
Atom N of residue 171
Atom CG1 of residue 656
Atom C of residue 378
Atom CA of residue 70
Atom CG of residue 167
THR
GLY
Atom N of residue 163
Atom CB of residue 234
Atom CA of residue 100
Atom CA of residue 546
Atom CA of residue 412
Atom CD of residue 445
Atom CB of residue 237
Atom NE2 of residue 116
Atom O of residue 162
Atom CB of residue 188
Atom OG of residue 372
Atom C of residue 162
Atom N of residue 360
Atom CB of residue 655
Atom CA of residue 141
Atom CB of residue 371
Atom NH1 of residue 93
Atom O of residue 438
Atom CG of residue 98
Atom CD2 of residue 241
Atom C of residue 121
Atom OE2 of residue 628
Atom CB of residue 161
Atom CA of residue 116
Atom O of residue 371
Atom CA of residue 383
Atom CG of residue 166
Atom CB of residue 98
Atom O of residue 161
Atom CZ of residue 115
Atom NH2 of residue 319
GLU
Atom CG of residue 518
Atom CD of residue 469
Atom O of residue 325
ARG
Atom CA of residue 219
Atom CB of residue 120
Atom C of residue 628
Atom CD1 of residue 115
Atom NH2 of residue 160
Atom CG of residue 494
Atom O of residue 398
Atom C of residue 139
Atom CA of residue 433
Atom NH1 of residue 160
Atom CD1 of residue 179
Atom CB of residue 115
Atom CA of residue 115
Atom CG of residue 160
Atom CA of residue 160
Atom CA of residue 231
Atom O of residue 200
Atom O of residue 178
Atom OE2 of residue 159
Atom CG of residue 159
Atom CB of residue 159
Atom OG of residue 61
Atom N of residue 442
Atom CA of residue 280
Atom C of residue 373
Atom C of residue 159
Atom SG of residue 600
Atom CB of residue 242
Atom CB of residue 158
Atom OE1 of residue 342
Atom N of residue 1
Atom O of residue 367
Atom CG of residue 268
Atom CB of residue 600
Atom ND2 of residue 372
Atom O of residue 158
Atom N of residue 26
Atom CA of residue 349
Atom CD of residue 342
HIS
Atom O of residue 600
Atom C of residue 242
Atom OD1 of residue 372
Atom C of residue 158
LEU
Atom OG of residue 235
ASP
Atom O of residue 113
Atom C of residue 394
Atom CG of residue 342
Atom CE1 of residue 417
Atom C of residue 210
Atom CA of residue 242
Atom CE1 of residue 78
Atom CA of residue 158
Atom OG1 of residue 348
Atom C of residue 253
Atom CG2 of residue 241
Atom N of residue 317
Atom ND2 of residue 157
Atom CG2 of residue 94
Atom O of residue 599
Atom O of residue 241
Atom CG of residue 513
Atom CB of residue 555
Atom CA of residue 67
Atom CB of residue 157
Atom N of residue 393
Atom N of residue 316
Atom C of residue 157
Atom O of residue 682
Atom CG2 of residue 416
Atom N of residue 209
Atom CA of residue 157
Atom C of residue 513
ASN
Atom N of residue 192
Atom C of residue 116
Atom CB of residue 280
Atom CG2 of residue 161
Atom CZ3 of residue 93
Atom CA of residue 315
Atom CG1 of residue 416
Atom CH2 of residue 156
Atom CD2 of residue 298
Atom CB of residue 489
Atom CD1 of residue 289
Atom CE of residue 110
Atom CD1 of residue 156
Atom N of residue 681
Atom CG of residue 156
Atom N of residue 622
Atom CB of residue 156
Atom O of residue 22
Atom CE1 of residue 362
Atom CG1 of residue 154
Atom N of residue 362
Atom CA of residue 154
Atom C of residue 108
Atom CA of residue 311
Atom N of residue 85
Atom C of residue 182
Atom CE1 of residue 171
Atom CB of residue 657
Atom CG of residue 213
Atom C of residue 401
Atom C of residue 328
Atom CA of residue 118
Atom CD of residue 163
Chain A
Atom O of residue 671
Atom CA of residue 361
Atom NZ of residue 43
Atom N of residue 153
Atom CG2 of residue 19
Atom C of residue 409
Atom O of residue 69
Atom CG of residue 555
Atom O of residue 613
Atom CB of residue 508
Atom N of residue 63
Atom OE2 of residue 670
Atom NE2 of residue 152
Atom CD1 of residue 78
Atom N of residue 322
Atom N of residue 677
Atom CB of residue 459
Atom CG of residue 152
Atom OG of residue 386
Atom CA of residue 271
Atom CG2 of residue 359
Atom CG of residue 554
Atom CB of residue 151
ASP
Atom CA of residue 162
GLY
ARG
Atom CG1 of residue 675
Atom CB of residue 554
Atom CZ of residue 458
Atom O of residue 151
Atom OG1 of residue 385
LYS
Atom CB of residue 675
Atom N of residue 275
Atom CG of residue 70
Atom O of residue 554
Atom NE of residue 458
Atom C of residue 151
Atom O of residue 359
Atom CD of residue 105
Atom C of residue 128
Atom CA of residue 151
Atom CA of residue 265
GLN
Atom N of residue 151
Atom CA of residue 642
Atom CG of residue 482
LYS
Atom CB of residue 41
Atom OE1 of residue 274
Atom NE2 of residue 553
Atom CE2 of residue 150
Atom CB of residue 674
Atom CG of residue 506
Atom CE1 of residue 150
Atom C of residue 674
Atom ND1 of residue 553
Atom N of residue 458
VAL
Atom CA of residue 432
Atom C of residue 358
Atom OE1 of residue 332
Atom CA of residue 427
Atom CD of residue 87
Atom CA of residue 674
Atom CG of residue 553
Atom SG of residue 457
Atom CG of residue 150
Atom OE2 of residue 431
Atom CD of residue 332
LEU
Atom N of residue 308
Atom CA of residue 506
Atom CB of residue 457
Chain P
Atom CB of residue 150
LYS
Atom N of residue 358
Atom O of residue 457
Atom O of residue 150
THR
Atom N of residue 181
Atom CD of residue 88
Atom C of residue 553
Atom CG of residue 201
Atom C of residue 150
Atom CG of residue 431
Atom O of residue 332
Atom CD of residue 104
Atom CA of residue 553
Atom CA of residue 457
Atom CA of residue 150
Atom O of residue 115
Atom NE of residue 160
Atom NH1 of residue 16
Atom CD1 of residue 339
Atom OD1 of residue 150
Atom CD of residue 431
Atom CB of residue 673
HIS
Atom CD of residue 269
CYS
PHE
Atom CZ of residue 97
Atom O of residue 28
Atom N of residue 93
Atom OE2 of residue 627
Atom C of residue 115
Atom CG of residue 40
Atom O of residue 673
Atom N of residue 553
Atom CA of residue 505
Atom CG of residue 269
Atom N of residue 457
Atom O of residue 295
Atom CD of residue 16
SER
Atom CB of residue 160
Atom CD of residue 357
Atom CA of residue 673
Atom CB of residue 552
Atom CE1 of residue 363
Atom CG1 of residue 149
Atom O of residue 160
Atom C of residue 431
Atom O of residue 552
Atom CB of residue 149
Atom O of residue 324
PRO
Atom OG of residue 419
Atom C of residue 160
Atom O of residue 149
Atom CG2 of residue 46
Atom N of residue 115
Atom CB of residue 294
Atom CD1 of residue 456
Atom C of residue 149
Atom C of residue 39
Atom C of residue 357
Atom N of residue 535
Atom CD2 of residue 131
Atom N of residue 640
Atom CG of residue 430
Atom O of residue 331
Atom C of residue 231
Atom CG of residue 456
Atom CA of residue 149
Atom N of residue 16
Atom CE2 of residue 245
Atom CA of residue 126
Atom N of residue 232
Atom OD2 of residue 149
Atom CD of residue 430
Atom CB of residue 672
Atom CD2 of residue 361
Atom N of residue 552
VAL
Atom CB of residue 382
Atom O of residue 672
Atom N of residue 149
Atom CG2 of residue 107
Atom C of residue 178
Atom CA of residue 114
Atom OE1 of residue 159
Atom N of residue 39
Atom N of residue 357
PRO
Atom CB of residue 78
Atom CE1 of residue 551
Atom OG of residue 148
Atom CD of residue 159
Atom CA of residue 338
Atom O of residue 430
Atom N of residue 133
Atom O of residue 38
Atom O of residue 356
Atom CA of residue 672
Atom CB of residue 148
Atom CG of residue 51
Atom CD1 of residue 368
Atom N of residue 344
Atom N of residue 627
Atom O of residue 189
Atom OD1 of residue 15
Atom CA of residue 149
Atom C of residue 430
Atom C of residue 356
Atom CA of residue 220
Atom O of residue 77
Atom ND1 of residue 551
PHE
Atom O of residue 148
Atom CE1 of residue 515
VAL
Atom CG1 of residue 368
Atom CE2 of residue 293
Atom CG1 of residue 27
Atom NH2 of residue 96
HIS
Atom N of residue 456
Atom C of residue 148
Atom O of residue 373
Atom O of residue 159
Atom C of residue 330
Atom SG of residue 255
Atom N of residue 103
Atom CB of residue 551
Atom CZ of residue 362
Atom CA of residue 148
Atom OG of residue 381
Atom ND1 of residue 229
Atom C of residue 337
Atom N of residue 430
Atom N of residue 356
SER
Atom CE1 of residue 565
Atom O of residue 467
Atom CA of residue 211
Atom CZ of residue 355
Atom C of residue 671
Atom CA of residue 312
Atom CA of residue 503
Atom N of residue 148
Atom CB of residue 229
Atom CG of residue 113
Atom N of residue 330
Atom CA of residue 671
Atom OG of residue 147
SER
Atom O of residue 229
Atom N of residue 318
Atom CB of residue 113
Atom N of residue 159
Atom C of residue 131
HIS
Atom CB of residue 147
Atom CD2 of residue 429
Atom N of residue 551
Atom N of residue 658
Atom O of residue 147
Atom O of residue 118
Atom C of residue 188
CYS
Atom C of residue 113
Atom N of residue 373
Atom CD1 of residue 158
Atom CA of residue 14
Atom CG2 of residue 124
Atom CA of residue 148
Atom CD1 of residue 429
Atom CD1 of residue 355
Atom C of residue 147
Atom CA of residue 113
Atom CG of residue 158
Atom CB of residue 77
Atom CG of residue 429
Atom NZ of residue 37
Atom CG of residue 355
Atom C of residue 329
Atom C of residue 124
Atom C of residue 62
Atom CD of residue 152
Atom CG1 of residue 550
Atom CA of residue 147
Atom CB of residue 322
Atom O of residue 210
Atom OD2 of residue 146
Atom CA of residue 210
Atom N of residue 232
Atom NE2 of residue 417
Atom CG of residue 112
LEU
Atom N of residue 77
Atom CA of residue 336
Atom CE of residue 147
PHE
PHE
Atom CB of residue 60
Atom CD1 of residue 123
Atom C of residue 670
VAL
Atom CG of residue 146
Atom N of residue 118
Atom O of residue 187
CYS
Atom CB of residue 112
Atom N of residue 158
Atom N of residue 355
Atom CB of residue 146
Atom O of residue 564
Atom CD of residue 94
GLN
Atom CB of residue 599
Atom CA of residue 112
Atom CG of residue 157
Atom CG of residue 354
Atom CE of residue 105
Atom CG of residue 75
Atom C of residue 123
Atom CZ of residue 549
Atom CA of residue 146
Atom CA of residue 209
Atom OE1 of residue 145
Atom CA of residue 186
Atom N of residue 598
Atom OE1 of residue 158
Atom CB of residue 239
Atom CD1 of residue 88
Atom CZ3 of residue 156
Atom N of residue 36
Atom OG1 of residue 353
Atom OG of residue 127
Atom CB of residue 59
Atom CA of residue 11
Atom C of residue 630
Atom CD1 of residue 122
ARG
Atom O of residue 145
Atom CA of residue 314
Atom CD2 of residue 156
Atom CA of residue 404
Atom CA of residue 144
Atom CB of residue 358
Atom CB of residue 143
Atom CA of residue 34
GLU
Atom N of residue 121
Atom CB of residue 300
Atom C of residue 403
Atom CA of residue 143
Atom CD1 of residue 45
Atom CD2 of residue 362
Atom C of residue 344
Atom C of residue 337
Atom CE1 of residue 64
Atom O of residue 86
Atom CE1 of residue 69
Atom C of residue 97
THR
Atom CB of residue 119
Atom C of residue 143
Atom N of residue 425
Atom CD1 of residue 142
Atom CA of residue 336
Atom CG2 of residue 182
Atom CG of residue 142
Atom O of residue 258
Atom CB of residue 247
Atom CA of residue 233
Atom O of residue 346
Atom O of residue 141
Atom CA of residue 94
Atom CD of residue 310
Atom N of residue 141
Atom NH2 of residue 279
Atom CA of residue 101
Atom N of residue 326
Atom CE2 of residue 115
Atom OG1 of residue 377
Atom NH1 of residue 469
Atom CG of residue 187
Atom CA of residue 371
Atom C of residue 140
Atom CA of residue 567
Atom CD of residue 190
Atom CG of residue 104
Atom O of residue 442
Atom O of residue 80
Atom NH1 of residue 279
GLY
Atom CA of residue 494
Atom N of residue 410
HIS
Atom CG of residue 209
Atom OE2 of residue 92
Atom O of residue 139
Atom CB of residue 420
Atom N of residue 443
Atom CD of residue 138
Atom N of residue 518
Atom NE2 of residue 602
Atom O of residue 190
Atom N of residue 307
HIS
PRO
Atom OD1 of residue 421
Atom CZ of residue 456
Atom N of residue 269
Atom CG2 of residue 149
Atom N of residue 29
Atom CG of residue 138
Atom CA of residue 39
Atom CA of residue 357
Atom C of residue 529
Atom OD1 of residue 480
Atom CA of residue 375
Atom N of residue 270
Atom CA of residue 75
Atom O of residue 114
PRO
ILE
Atom CE2 of residue 78
PHE
Atom C of residue 468
Atom N of residue 160
Atom CG2 of residue 189
Atom N of residue 126
Atom CA of residue 331
Atom C of residue 79
Atom OG of residue 278
Atom CE of residue 69
Atom O of residue 344
Atom O of residue 337
Atom CB of residue 86
Atom N of residue 596
Atom CA of residue 156
Atom CG of residue 237
Atom CE2 of residue 72
Atom O of residue 97
Atom CG of residue 119
Atom CB of residue 137
Atom CE1 of residue 113
Atom CA of residue 441
Atom CA of residue 626
Atom CA of residue 233
Atom CD2 of residue 515
GLY
Atom C of residue 318
Atom CA of residue 541
LEU
Atom CA of residue 161
Atom CD1 of residue 440
Atom N of residue 137
Atom CG of residue 418
Atom O of residue 26
Atom C of residue 259
Atom CG of residue 651
Atom CE of residue 136
TYR
Atom CB of residue 418
Atom CD of residue 136
Atom CA of residue 418
Atom N of residue 372
Atom OD1 of residue 157
Atom C of residue 112
Atom ND1 of residue 417
Atom CD1 of residue 135
Atom CG of residue 417
Atom CZ of residue 122
Atom CA of residue 310
Atom CA of residue 217
Atom N of residue 100
Atom OG of residue 563
Atom N of residue 137
Atom C of residue 417
Atom O of residue 366
PRO
Atom N of residue 243
Atom CA of residue 327
Atom OE1 of residue 99
Atom CE2 of residue 122
Atom CA of residue 111
Atom O of residue 134
Atom C of residue 611
Atom CA of residue 422
VAL
Atom NH2 of residue 93
Atom CA of residue 411
Atom N of residue 247
Atom C of residue 444
Atom CD of residue 345
Atom NE2 of residue 139
Atom O of residue 88
Atom CG of residue 185
Atom N of residue 116
Atom CA of residue 185
Atom O of residue 110
Atom CG1 of residue 359
Atom CG of residue 144
Atom CA of residue 216
Atom CG of residue 404
Atom O of residue 382
Atom CZ of residue 73
Atom CA of residue 313
Atom C of residue 110
Atom O of residue 133
Atom NE of residue 66
Atom CA of residue 364
Atom CG2 of residue 536
Atom C of residue 133
Atom CB of residue 109
Atom O of residue 109
Atom CB of residue 362
Atom O of residue 108
Atom CB of residue 336
Atom NE2 of residue 101
Atom CE2 of residue 33
Atom CA of residue 349
Atom CD1 of residue 118
Atom O of residue 678
LEU
Atom CG2 of residue 424
Atom O of residue 366
Atom CE1 of residue 65
Atom CG of residue 107
Atom CG1 of residue 285
Atom CA of residue 182
Atom CA of residue 401
Atom O of residue 65
GLU
Atom O of residue 484
Atom OE1 of residue 84
Atom N of residue 613
Atom O of residue 107
ASP
Atom O of residue 406
Atom ND2 of residue 405
Atom CB of residue 643
Atom CG of residue 483
Atom CA of residue 360
Atom O of residue 129
Atom CA of residue 259
Atom C of residue 164
VAL
Atom CA of residue 400
Atom CB of residue 89
ALA
Atom OE1 of residue 554
Atom NH2 of residue 549
Atom OG1 of residue 63
GLN
Atom C of residue 129
Atom O of residue 94
Atom CG1 of residue 359
Atom N of residue 129
Atom O of residue 98
Atom CA of residue 53
Atom O of residue 629
Atom CB of residue 359
Atom NE of residue 105
Atom O of residue 128
VAL
Atom O of residue 140
Atom CA of residue 220
ALA
Atom CB of residue 405
Atom CA of residue 134
Atom SG of residue 358
Atom CG of residue 241
GLY
Atom CD of residue 628
Atom N of residue 434
Atom C of residue 72
Atom CG of residue 219
Atom CB of residue 358
Atom CG2 of residue 3
GLN
ILE
Atom CB of residue 641
GLU
VAL
Atom CA of residue 127
Atom N of residue 191
Atom NH1 of residue 269
Atom CA of residue 258
CYS
THR
Atom C of residue 567
Atom O of residue 421
Atom NE2 of residue 190
GLN
Atom C of residue 64
CYS
Atom C of residue 421
Atom OE1 of residue 190
Atom CA of residue 279
VAL
Atom NH2 of residue 16
Atom CD2 of residue 339
Atom ND2 of residue 150
Atom OE1 of residue 431
Atom CZ of residue 357
Atom OG of residue 63
Atom CB of residue 126
GLU
Atom CG of residue 212
Atom NE of residue 357
Atom CB of residue 63
Atom CG2 of residue 633
Atom O of residue 126
Atom C of residue 290
Atom N of residue 481
Atom NZ of residue 125
GLY
ARG
Atom N of residue 230
Atom N of residue 331
Atom O of residue 219
Atom NH2 of residue 199
Atom CD2 of residue 638
Atom O of residue 381
Atom N of residue 280
Atom NE2 of residue 441
Atom CG2 of residue 77
Atom CA of residue 61
Atom CE2 of residue 355
Atom CA of residue 480
ALA
Atom N of residue 125
Atom N of residue 177
Atom C of residue 244
Atom OG of residue 329
Atom CG1 of residue 124
Atom C of residue 26
Atom CD1 of residue 355
Atom CB of residue 651
Atom N of residue 91
PRO
Atom C of residue 322
Atom OE2 of residue 210
Atom O of residue 176
Atom CB of residue 329
Atom CB of residue 124
Atom N of residue 229
Atom CD of residue 71
Atom C of residue 565
Atom CD of residue 322
Atom CG of residue 210
Atom CD of residue 670
SER
Atom CE1 of residue 244
Atom CA of residue 329
Atom CA of residue 124
PHE
Atom O of residue 254
Atom O of residue 304
Atom CA of residue 13
Atom C of residue 76
Atom CG of residue 147
Atom CH2 of residue 428
Atom CD2 of residue 123
Atom OD2 of residue 70
Atom CB of residue 465
Atom N of residue 322
GLU
Atom C of residue 328
Atom CG of residue 123
Atom N of residue 367
Atom O of residue 465
Atom CB of residue 123
Atom O of residue 123
Atom ND1 of residue 226
Atom CB of residue 208
Atom N of residue 649
Atom CG of residue 340
Atom O of residue 208
Atom OH of residue 325
Atom C of residue 122
Atom C of residue 74
Atom N of residue 145
ASN
Atom N of residue 428
Atom CA of residue 353
THR
Atom O of residue 562
Atom CD1 of residue 71
Atom O of residue 209
Atom CD2 of residue 597
Atom CA of residue 239
Atom N of residue 208
Atom OG of residue 225
Atom CA of residue 352
Atom CA of residue 333
Atom CZ of residue 325
Atom OG1 of residue 339
SER
Atom CB of residue 207
Atom CB of residue 166
Atom CA of residue 121
Atom O of residue 57
Atom C of residue 225
Atom OG1 of residue 377
Atom CB of residue 241
Atom N of residue 121
Atom CD1 of residue 9
Atom CD of residue 120
Atom CD of residue 155
Atom C of residue 87
Atom N of residue 144
Atom CG of residue 87
Atom N of residue 79
Atom CD2 of residue 92
Atom N of residue 135
Atom C of residue 415
Atom CB of residue 511
ASP
ASN
Atom C of residue 633
Atom CD of residue 57
Atom NH1 of residue 97
Atom N of residue 103
Atom C of residue 120
Atom O of residue 338
Atom O of residue 536
Atom OG of residue 296
Atom C of residue 487
Atom CA of residue 87
Atom O of residue 227
Atom CD of residue 206
Atom N of residue 73
Atom O of residue 224
Atom CB of residue 376
Atom CB of residue 240
Atom N of residue 120
Atom C of residue 362
Atom N of residue 659
Atom CA of residue 262
Atom OG1 of residue 350
Atom CD1 of residue 119
Atom CE1 of residue 142
Atom O of residue 177
Atom CG of residue 239
Atom CG of residue 118
SER
Atom CB of residue 239
Atom CB of residue 118
ALA
Atom CB of residue 6
Atom C of residue 243
Atom CZ3 of residue 630
Atom OD2 of residue 141
Atom CD2 of residue 436
Atom C of residue 374
Atom CB of residue 306
ASN
Atom C of residue 238
Atom N of residue 118
Atom O of residue 141
Atom O of residue 117
Atom CG of residue 276
Atom O of residue 677
Atom N of residue 310
Atom CA of residue 348
Atom N of residue 189
Atom N of residue 472
Atom C of residue 141
Atom C of residue 117
Atom CG of residue 412
Atom O of residue 360
Atom CD2 of residue 341
Atom CG1 of residue 334
Atom C of residue 106
Atom OD2 of residue 321
Atom CB of residue 233
Atom CB of residue 568
Atom CG of residue 422
Atom O of residue 568
Atom CB of residue 422
Atom CD2 of residue 116
Atom CA of residue 287
Atom CG2 of residue 100
Atom O of residue 569
Atom O of residue 423
Atom N of residue 75
Atom CA of residue 5
Atom O of residue 321
Atom CA of residue 297
Atom OG1 of residue 327
Atom CA of residue 141
Atom CB of residue 116
VAL
Atom OE1 of residue 98
Atom C of residue 116
Atom CB of residue 67
Atom N of residue 140
Atom N of residue 421
Atom O of residue 302
MET
Atom CE1 of residue 270
Atom CZ of residue 279
Atom N of residue 370
Atom N of residue 139
Atom OE1 of residue 92
Atom CB of residue 319
Atom CE2 of residue 566
Atom O of residue 319
GLN
Atom CG2 of residue 114
Atom CA of residue 442
Atom CA of residue 319
Atom ND2 of residue 414
THR
SER
Atom CB of residue 144
Atom CA of residue 224
Atom CA of residue 331
Atom CD1 of residue 324
Atom O of residue 15
Atom OG of residue 178
Atom N of residue 28
Atom C of residue 138
Atom C of residue 419
Atom CB of residue 441
Atom CD1 of residue 137
Atom CG of residue 541
Atom CE2 of residue 515
Atom CB of residue 318
GLY
ASN
Atom O of residue 318
Atom ND1 of residue 113
Atom CG1 of residue 395
Atom CA of residue 373
Atom C of residue 71
ILE
Atom CA of residue 318
Atom N of residue 27
Atom NZ of residue 136
Atom O of residue 113
ILE
Atom CB of residue 322
TRP
Atom OXT of residue 212
Atom C of residue 96
Atom CD2 of residue 355
Atom N of residue 142
Atom CG2 of residue 550
Atom CD of residue 311
Atom O of residue 199
Atom NE2 of residue 322
Atom O of residue 137
Atom C of residue 418
Atom C of residue 137
PHE
PHE
Atom O of residue 317
Atom CD1 of residue 112
Atom N of residue 342
Atom CB of residue 366
Atom CD2 of residue 411
Atom CB of residue 353
Atom CB of residue 649
Atom CA of residue 341
Atom CG1 of residue 111
Atom CZ of residue 64
ALA
Atom CA of residue 159
Atom N of residue 241
Atom N of residue 117
Atom CB of residue 186
Atom CG2 of residue 111
Atom CG of residue 110
Atom CG of residue 133
Atom CB of residue 110
Atom CA of residue 110
LYS
Atom CB of residue 462
Atom CD1 of residue 596
Atom CA of residue 238
Atom CB of residue 87
Atom CA of residue 312
Atom C of residue 109
Atom OE2 of residue 132
Atom C of residue 536
Atom CD1 of residue 287
Atom N of residue 436
Atom CG2 of residue 86
Atom CG of residue 273
Atom C of residue 64
Atom N of residue 338
Atom CA of residue 109
Atom CD1 of residue 295
Atom CA of residue 16
Atom OE1 of residue 382
Atom N of residue 108
Atom N of residue 621
Atom CD1 of residue 615
Atom NE of residue 414
Atom N of residue 536
Atom OG1 of residue 86
Atom N of residue 109
Atom CG of residue 362
Atom CB of residue 108
Atom CH2 of residue 72
Atom CB of residue 165
Atom C of residue 437
Atom N of residue 376
Atom CZ3 of residue 33
Atom CB of residue 414
Atom CE2 of residue 142
Atom CG1 of residue 81
Atom CA of residue 679
Atom CD1 of residue 108
Atom CG of residue 311
Atom N of residue 237
Atom N of residue 86
Atom C of residue 343
Atom O of residue 336
Atom CA of residue 108
LEU
PHE
Atom N of residue 108
Atom O of residue 82
Atom CG of residue 164
Atom N of residue 375
Atom N of residue 82
Atom CB of residue 282
Atom O of residue 81
Atom O of residue 361
Atom N of residue 343
Atom OG1 of residue 335
Atom O of residue 644
Atom CD1 of residue 484
GLU
Atom CD1 of residue 107
Atom CA of residue 547
Atom CG2 of residue 189
Atom O of residue 374
Atom O of residue 238
LEU
Atom CA of residue 342
Atom CA of residue 335
Atom N of residue 294
Atom C of residue 484
Atom NE2 of residue 436
Atom CA of residue 374
Atom CB of residue 446
Atom CG of residue 400
Atom CB of residue 193
Atom CA of residue 484
Atom CG of residue 84
Atom NE1 of residue 630
Atom CD1 of residue 408
GLN
PHE
ILE
Atom N of residue 276
Atom O of residue 555
Atom N of residue 130
TYR
Atom CB of residue 360
Atom O of residue 106
Atom O of residue 386
Atom CA of residue 532
Atom NZ of residue 83
Atom CG of residue 42
Atom N of residue 106
LYS
Atom CB of residue 83
Atom C of residue 568
Atom O of residue 422
Atom ND1 of residue 435
ARG
ALA
Atom N of residue 42
Atom CA of residue 359
Atom CD1 of residue 444
THR
Atom CA of residue 353
Atom OE2 of residue 258
Atom C of residue 247
Atom CA of residue 333
Atom CA of residue 88
Atom CD1 of residue 314
Atom OG1 of residue 83
Atom C of residue 308
Atom C of residue 105
Atom OE1 of residue 627
Atom CG of residue 279
Atom CG1 of residue 369
Atom C of residue 190
Atom CA of residue 622
Atom O of residue 517
Atom CD of residue 79
Atom CA of residue 104
Atom CB of residue 529
Atom CG1 of residue 79
Atom CD2 of residue 119
Atom N of residue 190
GLY
ASP
Atom O of residue 529
Atom CA of residue 381
Atom CB of residue 82
Atom CE1 of residue 362
Atom C of residue 658
Atom CA of residue 350
SER
Atom C of residue 119
Atom CB of residue 343
Atom O of residue 269
Atom CB of residue 601
Atom CB of residue 243
Atom CD2 of residue 565
Atom N of residue 119
Atom O of residue 188
SER
Atom N of residue 343
Atom CB of residue 188
Atom N of residue 32
Atom NZ of residue 360
Atom O of residue 656
Atom C of residue 400
Atom CB of residue 623
Atom N of residue 112
Atom O of residue 315
Atom N of residue 65
Atom CB of residue 217
Atom C of residue 101
Atom CB of residue 311
Atom OE2 of residue 501
Atom OD1 of residue 146
Atom O of residue 100
Atom O of residue 514
GLN
Atom CA of residue 317
Atom CA of residue 267
Atom CB of residue 65
Atom O of residue 612
Atom C of residue 100
Atom NE2 of residue 35
Atom CD2 of residue 443
Atom CG2 of residue 104
Atom ND1 of residue 417
Atom CD1 of residue 453
SER
Atom CZ of residue 71
ALA
Atom CD2 of residue 146
Atom CG of residue 226
Atom O of residue 99
Atom O of residue 453
Atom C of residue 252
Atom CA of residue 226
GLN
Atom OD1 of residue 416
Atom NH2 of residue 251
Atom CB of residue 225
Atom N of residue 404
Atom CB of residue 98
Atom CA of residue 93
Atom O of residue 561
Atom CD1 of residue 415
Atom CA of residue 346
Atom C of residue 339
Atom CE1 of residue 87
Atom N of residue 71
Atom C of residue 157
Atom CG of residue 238
Atom O of residue 225
Atom CD1 of residue 64
Atom N of residue 98
Atom CA of residue 330
Atom N of residue 324
Atom N of residue 369
Atom CG of residue 64
PRO
Atom C of residue 143
Atom CG of residue 206
Atom CG2 of residue 305
Atom O of residue 297
SER
Atom C of residue 95
Atom CB of residue 305
Atom N of residue 193
Atom N of residue 95
Atom CG of residue 97
Atom CD of residue 4
Atom N of residue 422
Atom CG of residue 320
Atom CB of residue 604
Atom C of residue 88
Atom CB of residue 185
LEU
Atom CB of residue 548
Atom C of residue 402
Atom CB of residue 142
Atom CZ of residue 96
Atom N of residue 296
HIS
Atom CB of residue 271
Atom O of residue 191
Atom C of residue 482
Atom N of residue 655
Atom O of residue 303
Atom N of residue 399
Atom CD2 of residue 139
Atom CZ of residue 93
TYR
Atom N of residue 323
Atom N of residue 213
Atom O of residue 96
THR
Atom CA of residue 628
Atom CG of residue 115
Atom CD1 of residue 76
Atom O of residue 70
Atom OG of residue 157
Atom CB of residue 238
Atom CA of residue 127
Atom CG of residue 141
Atom CA of residue 479
Atom N of residue 87
Atom N of residue 147
Atom OE1 of residue 587
Atom C of residue 380
Atom CB of residue 100
Atom C of residue 222
ARG
Atom CA of residue 332
Atom CB of residue 104
Atom C of residue 80
ARG
Atom OH of residue 78
Atom CB of residue 139
Atom CA of residue 420
Atom N of residue 358
Atom C of residue 653
Atom O of residue 138
Atom O of residue 75
Atom CD of residue 92
Atom CA of residue 431
Atom N of residue 40
Atom CG2 of residue 79
Atom OG of residue 91
Atom CA of residue 137
ILE
Atom CA of residue 74
Atom C of residue 91
Atom NH1 of residue 476
Atom CG of residue 146
Atom CB of residue 226
Atom O of residue 309
Atom CA of residue 500
GLU
Atom C of residue 99
Atom CA of residue 159
THR
Atom O of residue 212
Atom CA of residue 96
Atom N of residue 537
Atom N of residue 133
Atom CA of residue 370
Atom CA of residue 376
Atom NH2 of residue 66
Atom C of residue 530
Atom CD of residue 481
Atom CB of residue 80
Atom N of residue 295
Atom CA of residue 93
Atom C of residue 49
Atom OG1 of residue 187
Atom C of residue 90
Atom CA of residue 416
Atom NE of residue 251
Atom CG of residue 145
Atom CA of residue 225
Atom CA of residue 98
Atom CB of residue 564
Atom CB of residue 95
Atom N of residue 90
Atom CB of residue 89
Atom OD2 of residue 186
Atom OH of residue 85
Atom CG of residue 197
Atom CG1 of residue 140
SER
Atom N of residue 234
Atom CG2 of residue 296
GLU
Atom C of residue 405
Atom N of residue 252
Atom N of residue 135
Atom CD2 of residue 88
LEU
Atom OD1 of residue 586
Atom CG of residue 428
Atom CE1 of residue 122
Atom N of residue 89
Atom CB of residue 324
Atom CA of residue 419
Atom CG of residue 137
Atom O of residue 74
Atom C of residue 346
Atom CB of residue 134
SER
Atom CG of residue 521
Atom C of residue 472
Atom C of residue 81
Atom C of residue 405
Atom CG2 of residue 313
Atom NE2 of residue 87
Atom C of residue 302
Atom CB of residue 93
Atom O of residue 40
Atom CA of residue 358
Atom N of residue 81
Chain B
Atom CB of residue 96
LEU
Atom O of residue 146
PHE
Atom O of residue 417
Atom C of residue 371
Atom CB of residue 69
Atom CB of residue 299
Atom OG of residue 89
Atom O of residue 378
Atom C of residue 70
Atom CA of residue 138
Atom O of residue 227
Atom CB of residue 209
Atom NH2 of residue 310
Atom C of residue 501
ASP
ILE
Atom CB of residue 408
Atom CG1 of residue 520
Atom C of residue 69
Atom CG2 of residue 368
Atom O of residue 560
Atom CG of residue 274
SER
Atom N of residue 66
HIS
Atom CA of residue 62
Atom OD2 of residue 480
Atom CE of residue 125
GLU
Atom CE of residue 431
Atom CD of residue 185
Atom NH1 of residue 66
Atom C of residue 659
Atom CG of residue 358
Atom CG1 of residue 143
Atom CD2 of residue 108
GLU
Atom CG of residue 34
CYS
Atom O of residue 143
Atom N of residue 155
Atom CD2 of residue 645
Atom C of residue 86
LEU
Atom O of residue 119
Atom C of residue 78
Atom CG1 of residue 589
Atom C of residue 382
Atom CA of residue 256
Atom N of residue 382
Atom O of residue 78
Atom CD1 of residue 154
Atom CB of residue 64
Atom O of residue 165
Atom C of residue 90
Atom CA of residue 143
Atom CD2 of residue 118
Atom CA of residue 91
Atom CG of residue 286
Atom OG1 of residue 20
Atom CA of residue 183
Atom CG of residue 44
PRO
Atom CA of residue 237
Atom CG1 of residue 336
Atom O of residue 645
Atom OE2 of residue 85
Atom CA of residue 669
Atom CB of residue 353
Atom CB of residue 286
Atom CA of residue 322
Atom CB of residue 44
Atom CD2 of residue 272
Atom N of residue 71
Atom N of residue 78
Atom O of residue 207
Atom C of residue 595
Atom OE1 of residue 85
VAL
Atom O of residue 111
Atom CB of residue 314
Atom CD2 of residue 64
Atom CE3 of residue 156
Atom CD of residue 85
Atom C of residue 66
ASN
Atom CG of residue 512
Atom ND2 of residue 207
Atom ND1 of residue 537
LEU
Atom N of residue 489
Atom CA of residue 88
Atom CD2 of residue 133
Atom CA of residue 47
Atom C of residue 531
Atom CB of residue 482
Atom N of residue 83
Atom CG of residue 613
Atom N of residue 408
Atom O of residue 294
Atom C of residue 485
Atom CD2 of residue 355
Atom O of residue 455
Atom CG of residue 199
Atom CD2 of residue 304
Atom OE1 of residue 569
Atom OD1 of residue 141
Atom CG of residue 60
Atom C of residue 385
Atom C of residue 168
Atom N of residue 142
Atom N of residue 222
Atom CA of residue 521
Atom CG of residue 78
Atom CB of residue 363
Atom C of residue 369
ARG
TRP
ASP
Atom O of residue 112
Atom C of residue 422
Atom CG2 of residue 17
Atom N of residue 140
Atom CB of residue 434
Atom SG of residue 67
Atom CA of residue 230
Atom CB of residue 65
Atom CG of residue 4
Atom CB of residue 320
Atom N of residue 312
Atom C of residue 407
Atom CD of residue 222
Atom CG of residue 143
Atom CB of residue 424
Atom OD2 of residue 374
Atom N of residue 194
Atom CD2 of residue 107
GLN
GLY
Atom NE of residue 93
Atom O of residue 140
Atom CG of residue 15
Atom N of residue 290
Atom CA of residue 178
Atom C of residue 456
Atom CA of residue 200
Atom N of residue 608
Atom OH of residue 306
ARG
Atom CB of residue 4
Atom O of residue 320
Atom CE of residue 421
Atom O of residue 248
Atom N of residue 336
Atom N of residue 20
Atom CG1 of residue 182
VAL
Atom CA of residue 330
Atom N of residue 381
Atom O of residue 95
Atom N of residue 51
Atom CA of residue 323
Atom NE2 of residue 113
Atom O of residue 63
Atom CD2 of residue 553
Atom N of residue 156
Atom O of residue 87
ARG
Atom CE1 of residue 96
Atom C of residue 388
Atom O of residue 481
Atom CA of residue 80
Atom CA of residue 12
Atom O of residue 75
Atom N of residue 86
Atom C of residue 366
Atom O of residue 31
Atom CG1 of residue 234
Atom CG of residue 587
Atom CD of residue 278
Atom CB of residue 141
Atom OG1 of residue 382
Atom CG of residue 73
Atom OD1 of residue 212
Atom CB of residue 153
Atom CD of residue 143
Atom CG1 of residue 424
Atom O of residue 142
Atom C of residue 325
Atom CA of residue 142
Atom N of residue 30
Atom N of residue 359
Atom O of residue 654
Atom CB of residue 139
Atom C of residue 371
Atom CB of residue 134
Atom N of residue 616
complex-2d.pdb
Atom OE1 of residue 197
Atom CB of residue 585
Atom CA of residue 427
Atom NH2 of residue 73
Atom CA of residue 161
Atom CG of residue 93
Atom OD1 of residue 70
Atom CD of residue 90
Atom CG of residue 90
Atom CB of residue 115
Atom CD of residue 22
Atom N of residue 157
ASP
Atom CA of residue 166
Atom OD2 of residue 224
Atom N of residue 339
ALA
Atom OE2 of residue 206
THR
Atom OG1 of residue 61
Atom C of residue 408
Atom O of residue 84
Atom O of residue 353
Atom N of residue 445
Atom O of residue 69
Atom OD1 of residue 156
Atom CZ of residue 237
Atom N of residue 87
Atom O of residue 156
Atom N of residue 238
Atom CG2 of residue 596
Atom CB of residue 338
Atom N of residue 228
Atom OE1 of residue 206
Atom O of residue 139
Atom NH1 of residue 22
Atom CB of residue 304
Atom CB of residue 254
Atom CA of residue 106
Atom N of residue 124
Atom O of residue 76
Atom CE1 of residue 444
Atom NZ of residue 105
Atom CD of residue 75
GLY
Atom CD of residue 105
Atom CB of residue 75
LYS
Atom CG of residue 357
Atom NE2 of residue 417
LEU
Atom CA of residue 549
Atom CB of residue 365
Atom CG of residue 669
ASN
Atom CD of residue 145
Atom CD1 of residue 104
Atom CG of residue 74
Atom O of residue 185
Atom CB of residue 476
Atom N of residue 263
Atom N of residue 62
Atom CD2 of residue 320
ILE
Atom CD2 of residue 391
Atom CD1 of residue 133
CYS
Atom CA of residue 380
Atom N of residue 72
Atom CG2 of residue 54
Atom N of residue 329
Atom O of residue 118
Atom C of residue 355
Atom OD1 of residue 651
Atom CA of residue 343
Atom CA of residue 601
Atom CA of residue 243
Atom CG of residue 332
Atom CA of residue 97
Atom CB of residue 91
Atom OH of residue 648
Atom CB of residue 340
Atom OG of residue 681
Atom C of residue 208
Atom N of residue 326
Atom O of residue 122
Atom CB of residue 81
Atom C of residue 648
Atom O of residue 537
Atom C of residue 297
Atom O of residue 488
Atom CD of residue 288
Atom O of residue 91
Atom CG of residue 360
Atom OD2 of residue 129
Atom CA of residue 43
Atom C of residue 556
Atom N of residue 107
Atom O of residue 163
Atom OE1 of residue 152
Atom CZ of residue 89
Atom CB of residue 136
Atom O of residue 618
VAL
Atom CG2 of residue 61
Atom CD of residue 99
Atom CB of residue 417
Atom N of residue 253
Atom CD2 of residue 529
VAL
Atom CG of residue 476
Atom CB of residue 297
Atom N of residue 88
Atom CA of residue 323
Atom CD1 of residue 72
Atom O of residue 352
ALA
Atom N of residue 468
Atom N of residue 324
Atom CG of residue 211
Atom CB of residue 330
Atom O of residue 125
Atom CE1 of residue 417
Atom CZ2 of residue 453
Atom N of residue 463
Atom CD of residue 66
Atom CA of residue 308
Atom O of residue 604
Atom CD2 of residue 150
Atom CA of residue 482
Atom CD of residue 410
Atom CG of residue 82
Atom CG1 of residue 161
VAL
Atom N of residue 554
Atom CZ of residue 150
Atom CA of residue 328
Atom OD1 of residue 321
PRO
Atom CB of residue 5
Atom CG2 of residue 520
Atom N of residue 117
Atom C of residue 235
Atom CA of residue 122
Atom CB of residue 70
Atom CB of residue 567
Atom CG of residue 421
Atom C of residue 303
Atom NZ of residue 494
Atom N of residue 303
Atom CB of residue 116
Atom CA of residue 23
ALA
Atom O of residue 610
Atom N of residue 252
Atom CD2 of residue 98
Atom NH2 of residue 299
Atom CB of residue 90
Atom CA of residue 221
Atom C of residue 275
Atom O of residue 676
Atom C of residue 459
Atom O of residue 152
Atom CG1 of residue 309
Atom N of residue 364
Atom N of residue 110
Atom CA of residue 648
Atom CA of residue 99
Atom OD1 of residue 354
CYS
Atom C of residue 146
Atom O of residue 104
Atom CG of residue 230
Atom CB of residue 284
Atom CG of residue 65
Atom CZ of residue 362
Atom O of residue 155
ARG
SER
LEU
Atom NH1 of residue 104
Atom O of residue 9
Atom NH1 of residue 73
Atom CA of residue 204
Atom CA of residue 69
Atom CB of residue 321
Atom N of residue 467
Atom OE1 of residue 210
TYR
Atom CA of residue 551
Atom O of residue 329
Atom CE1 of residue 521
Atom CD2 of residue 72
Atom CG of residue 98
Atom CA of residue 362
Atom N of residue 389
LEU
Atom O of residue 178
Atom CG2 of residue 261
Atom C of residue 142
Atom CD of residue 96
Atom N of residue 77
Atom N of residue 210
Atom CD of residue 93
Atom CB of residue 296
Atom C of residue 429
Atom C of residue 355
Atom O of residue 221
Atom C of residue 606
ALA
Atom N of residue 587
Atom CD1 of residue 379
Atom CA of residue 105
Atom CA of residue 75
Atom CA of residue 641
Atom CG1 of residue 80
Atom O of residue 144
Atom CG of residue 224
Atom CA of residue 145
Atom C of residue 426
Atom C of residue 301
Atom NH1 of residue 165
Atom CG of residue 366
ALA
Atom N of residue 198
Atom O of residue 567
Atom CB of residue 421
Atom CD1 of residue 98
Atom C of residue 66
Atom CZ of residue 85
Atom N of residue 360
ARG
Atom ND2 of residue 135
Atom O of residue 617
Atom NH2 of residue 105
Atom O of residue 11
PRO
Atom O of residue 471
Atom CB of residue 78
Atom OE2 of residue 518
Atom CB of residue 219
ALA
Atom O of residue 358
Atom C of residue 127
Atom OE1 of residue 251
Atom N of residue 340
Atom CB of residue 512
TRP
Atom OD1 of residue 207
Atom CH2 of residue 453
Atom CA of residue 129
Atom CA of residue 643
Atom CE of residue 83
SER
Atom OG1 of residue 109
Atom NE2 of residue 65
Atom CG of residue 205
Atom ND1 of residue 139
Atom C of residue 599
ALA
Atom O of residue 157
Atom OE2 of residue 365
Atom N of residue 152
ALA
Atom NH1 of residue 272
Atom O of residue 95
LEU
Atom O of residue 653
Atom N of residue 351
Atom CB of residue 138
Atom CB of residue 373
HIS
Atom CG of residue 469
Atom CD of residue 467
Atom O of residue 323
Atom CB of residue 211
Atom CG of residue 38
Atom CA of residue 356
Atom O of residue 330
Atom C of residue 125
ALA
Atom CA of residue 338
Atom CA of residue 227
Atom CB of residue 206
Atom CG of residue 108
VAL
Atom O of residue 332
Atom CA of residue 62
Atom CG2 of residue 228
Atom O of residue 90
ASP
Atom OG1 of residue 653
Atom CG of residue 272
Atom N of residue 221
Atom CB of residue 445
Atom N of residue 305
Atom CG of residue 192
Atom N of residue 417
VAL
Atom CG of residue 31
Atom NE2 of residue 164
Atom CG1 of residue 233
Atom CA of residue 483
Atom CD of residue 83
Atom SG of residue 678
Atom CA of residue 510
Atom O of residue 461
Atom CD2 of residue 205
ALA
Atom CA of residue 100
Atom CD1 of residue 44
in 7.594s ... ok
Simple test of EM2D score application ... em2d_score /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/transforms10 /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/image_1.pgm /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/image_2.pgm /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/image_3.pgm -s 2.2 -n 200 
Receptor /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb ligand /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb trans file /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/transforms10
4400 atoms were read from file /private/tmp/nightly-build-90354/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb
3424 atoms were read from file /private/tmp/nightly-build-90354/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 OXT of residue 444
Atom C of residue 444
Atom CE1 of residue 444
Atom NE2 of residue 444
Atom CG of residue 444
Atom ND1 of residue 444
Atom CA of residue 444
Atom N of residue 444
Atom CE1 of residue 443
Atom CD2 of residue 443
Atom NE2 of residue 443
Atom CB of residue 443
Atom ND1 of residue 443
Atom CA of residue 443
HIS
Atom N of residue 443
Atom CE1 of residue 442
Atom CD2 of residue 442
Atom NE2 of residue 442
Atom CB of residue 442
Atom CG of residue 442
Atom ND1 of residue 442
Atom CA of residue 442
HIS
Atom CE1 of residue 441
Atom CD2 of residue 441
Atom NE2 of residue 441
Atom CB of residue 441
Atom CG of residue 441
Atom ND1 of residue 441
Atom CA of residue 441
HIS
Atom O of residue 440
Atom C of residue 440
Atom CE1 of residue 440
Atom CD2 of residue 440
Atom NE2 of residue 440
Atom CB of residue 440
Atom CG of residue 440
Atom ND1 of residue 440
Atom CA of residue 440
HIS
Atom N of residue 440
Atom C of residue 439
Atom CE1 of residue 439
Atom NE2 of residue 439
Atom CB of residue 439
Atom CG of residue 439
Atom ND1 of residue 439
HIS
Atom C of residue 438
Atom CE1 of residue 438
Atom CD2 of residue 438
Atom NE2 of residue 438
Atom CB of residue 438
Atom ND1 of residue 438
Atom CA of residue 438
HIS
Atom N of residue 438
Atom C of residue 437
Atom CE1 of residue 437
Atom NE2 of residue 437
Atom CG of residue 437
HIS
Atom N of residue 437
Atom O of residue 436
Atom C of residue 436
Atom CD2 of residue 436
Atom NE2 of residue 436
Atom N of residue 436
Atom O of residue 435
Atom C of residue 435
Atom CG of residue 435
Atom N of residue 435
Atom O of residue 434
Atom O of residue 433
Atom C of residue 433
Atom CB of residue 433
Atom CA of residue 433
Atom N of residue 433
Atom O of residue 432
Atom C of residue 432
Atom CA of residue 432
ALA
Atom C of residue 431
Atom NZ of residue 431
Atom CD of residue 431
Atom CB of residue 431
Atom CA of residue 431
LYS
Atom N of residue 431
Atom O of residue 430
Atom NH1 of residue 430
Atom CZ of residue 430
Atom NE of residue 430
Atom CD of residue 430
Atom CG of residue 430
Atom CB of residue 430
ARG
Atom N of residue 430
Atom C of residue 429
Atom OE2 of residue 429
GLU
Atom O of residue 428
Atom C of residue 428
Atom CB of residue 428
Atom N of residue 428
Atom O of residue 427
Atom C of residue 427
Atom N of residue 427
Atom CE of residue 426
Atom CG of residue 426
Atom CB of residue 426
LYS
Atom C of residue 425
Atom OD2 of residue 425
Atom CG of residue 425
Atom CB of residue 425
Atom CA of residue 425
Atom O of residue 424
Atom C of residue 424
Atom CB of residue 424
Atom CA of residue 424
Atom N of residue 424
Atom CG of residue 423
Atom CB of residue 423
LYS
Atom C of residue 422
Atom CB of residue 422
THR
Atom O of residue 421
Atom ND2 of residue 421
ASN
Atom OG of residue 420
Atom C of residue 419
Atom CG of residue 419
Atom CB of residue 419
Atom N of residue 419
Atom CG of residue 418
Atom CB of residue 418
Atom C of residue 417
Atom CE1 of residue 417
Atom CD2 of residue 417
Atom CG of residue 417
Atom N of residue 417
Atom O of residue 416
Atom C of residue 416
Atom OD2 of residue 416
Atom OD1 of residue 416
Atom CB of residue 416
Atom CA of residue 416
Atom N of residue 416
Atom O of residue 415
Atom CG2 of residue 415
Atom CG1 of residue 415
Atom O of residue 414
Atom C of residue 414
Atom OD1 of residue 414
Atom CG of residue 414
Atom CB of residue 414
Atom CA of residue 414
ASN
Atom N of residue 414
Atom O of residue 413
Atom C of residue 413
Atom SG of residue 413
Atom CB of residue 413
Atom N of residue 413
Atom O of residue 412
Atom OG1 of residue 412
Atom CB of residue 412
THR
Atom N of residue 412
Atom O of residue 411
Atom OH of residue 411
Atom CE2 of residue 411
Atom CE1 of residue 411
Atom CG of residue 411
Atom CB of residue 411
Atom CA of residue 411
Atom OG1 of residue 410
Atom CB of residue 410
THR
Atom N of residue 410
Atom O of residue 409
Atom CD of residue 409
Atom CB of residue 409
GLN
Atom OG1 of residue 408
Atom CB of residue 408
Atom C of residue 407
Atom C of residue 406
Atom CG of residue 406
Atom CA of residue 406
PHE
Atom N of residue 406
Atom O of residue 405
Atom C of residue 405
Atom ND2 of residue 405
Atom OD1 of residue 405
Atom CG of residue 405
Atom N of residue 405
Atom OG of residue 404
Atom CB of residue 404
Atom N of residue 404
Atom O of residue 403
Atom C of residue 403
Atom OG of residue 403
Atom CB of residue 403
Atom CA of residue 403
Atom CG of residue 402
Atom CB of residue 402
Atom CD of residue 402
Atom CA of residue 402
Atom CG1 of residue 401
Atom CB of residue 401
Atom CA of residue 401
VAL
Atom N of residue 401
Atom O of residue 400
Atom OG1 of residue 400
Atom CA of residue 400
THR
Atom N of residue 400
Atom C of residue 399
Atom CG2 of residue 399
Atom CG1 of residue 399
Atom CB of residue 399
Atom CA of residue 399
VAL
Atom N of residue 399
Atom C of residue 398
Atom CG2 of residue 398
Atom CA of residue 398
Atom N of residue 398
Atom OG of residue 397
Atom CB of residue 397
Atom CA of residue 397
Atom N of residue 397
Atom O of residue 396
Atom CB of residue 396
Atom CA of residue 396
Atom N of residue 396
Atom CD1 of residue 395
Atom CB of residue 395
Atom CA of residue 395
Atom OG of residue 394
Atom CB of residue 394
Atom CA of residue 394
Atom C of residue 393
Atom OH of residue 393
Atom CE2 of residue 393
Atom CE1 of residue 393
Atom CD2 of residue 393
Atom CG of residue 393
TYR
Atom N of residue 393
LEU
Atom O of residue 391
GLY
Atom O of residue 390
Atom C of residue 390
Atom OG of residue 390
Atom CB of residue 390
Atom CA of residue 390
SER
Atom N of residue 390
Atom C of residue 389
Atom OG of residue 389
Atom CB of residue 389
Atom CA of residue 389
SER
Atom NE2 of residue 388
Atom OE1 of residue 388
Atom CA of residue 388
GLN
Atom N of residue 388
Atom O of residue 387
Atom CD2 of residue 387
Atom CA of residue 387
Atom O of residue 386
Atom C of residue 386
Atom CB of residue 386
Atom N of residue 441
Atom CA of residue 386
VAL
Atom N of residue 386
Atom CB of residue 385
ALA
Atom N of residue 385
Atom O of residue 384
PRO
Atom N of residue 384
Atom CD2 of residue 439
Atom C of residue 383
Atom CZ of residue 383
Atom CD1 of residue 383
Atom CB of residue 383
Atom C of residue 382
Atom CG2 of residue 382
Atom OG1 of residue 382
Atom CB of residue 382
Atom CA of residue 382
Atom CE1 of residue 381
Atom CD2 of residue 381
Atom CB of residue 381
Atom CG of residue 381
Atom ND1 of residue 381
Atom CA of residue 381
Atom C of residue 380
Atom CG2 of residue 380
Atom CG1 of residue 380
Atom CA of residue 380
Atom ND1 of residue 436
Atom N of residue 380
Atom O of residue 379
Atom C of residue 379
GLY
Atom N of residue 379
SER
Atom N of residue 378
Atom O of residue 377
Atom CB of residue 377
THR
Atom N of residue 377
Atom O of residue 376
Atom C of residue 376
Atom CD2 of residue 376
Atom CG of residue 376
Atom CB of residue 376
LEU
Atom C of residue 375
Atom CB of residue 375
Atom N of residue 375
Atom O of residue 374
Atom C of residue 374
Atom CA of residue 374
GLY
Atom O of residue 373
Atom C of residue 373
Atom OG of residue 373
Atom CB of residue 373
Atom CA of residue 373
SER
Atom N of residue 373
Atom ND2 of residue 372
Atom OD1 of residue 372
Atom CB of residue 372
Atom CA of residue 372
ASN
Atom CG of residue 429
Atom CZ2 of residue 371
Atom CE3 of residue 371
Atom NE1 of residue 371
Atom CG of residue 371
Atom CA of residue 371
Atom N of residue 371
Atom O of residue 370
Atom C of residue 370
Atom CB of residue 370
Atom C of residue 369
Atom CG2 of residue 369
Atom CG1 of residue 369
Atom CB of residue 369
Atom CA of residue 369
Atom O of residue 368
Atom CB of residue 368
Atom CA of residue 368
THR
Atom O of residue 367
Atom CG2 of residue 367
Atom CA of residue 366
Atom CB of residue 365
Atom CA of residue 364
Atom CE2 of residue 363
Atom CE1 of residue 363
Atom CD2 of residue 363
Atom OH of residue 362
Atom CD1 of residue 362
Atom C of residue 361
Atom CG of residue 361
Atom C of residue 359
Atom CA of residue 359
Atom N of residue 359
Atom O of residue 358
Atom C of residue 358
Atom CD2 of residue 358
Atom CG of residue 358
Atom CB of residue 358
LEU
Atom N of residue 358
Atom C of residue 357
Atom SG of residue 357
Atom CB of residue 357
CYS
Atom N of residue 357
Atom O of residue 356
Atom C of residue 356
Atom N of residue 356
Atom O of residue 355
Atom C of residue 355
Atom CD1 of residue 355
Atom CG of residue 355
Atom CB of residue 355
Atom CA of residue 355
Atom N of residue 355
Atom O of residue 354
Atom C of residue 354
Atom CA of residue 354
ALA
Atom N of residue 353
Atom O of residue 352
Atom CG2 of residue 352
Atom OG1 of residue 352
Atom CB of residue 352
THR
Atom N of residue 352
Atom CB of residue 351
SER
Atom N of residue 351
Atom O of residue 350
Atom C of residue 350
Atom OE2 of residue 350
Atom OE1 of residue 350
Atom CD of residue 350
Atom CG of residue 350
Atom N of residue 409
Atom CA of residue 350
GLU
Atom O of residue 349
Atom C of residue 349
THR
Atom CA of residue 349
SER
Atom N of residue 349
Atom C of residue 348
GLY
Atom CG2 of residue 348
Atom N of residue 407
Atom OG1 of residue 348
Atom CA of residue 348
THR
Atom N of residue 348
Atom C of residue 347
Atom CB of residue 347
SER
Atom CZ of residue 346
Atom CG of residue 346
ASN
Atom CB of residue 346
Atom CA of residue 346
Atom O of residue 345
SER
Atom CB of residue 345
Atom CA of residue 345
SER
Atom N of residue 345
Atom O of residue 344
Atom C of residue 344
Atom CA of residue 344
SER
Atom N of residue 344
Atom C of residue 343
Atom CG of residue 343
Atom CB of residue 343
PRO
Atom CD of residue 343
Atom CA of residue 343
PRO
Atom N of residue 343
Atom O of residue 342
Atom C of residue 342
Atom CB of residue 342
Atom CA of residue 342
ALA
Atom N of residue 342
Atom C of residue 341
Atom CD2 of residue 341
Atom CG of residue 341
Atom CB of residue 341
LEU
Atom N of residue 341
Atom C of residue 340
Atom CG of residue 340
Atom CB of residue 340
Atom CD of residue 340
PRO
Atom N of residue 340
Atom O of residue 339
Atom CE1 of residue 339
Atom CD2 of residue 339
Atom CD1 of residue 339
Atom O of residue 397
Atom CG of residue 339
Atom C of residue 397
Atom CB of residue 339
SER
Atom O of residue 338
Atom CG2 of residue 338
Atom C of residue 396
Atom CG1 of residue 338
Atom OG of residue 396
Atom CB of residue 338
VAL
SER
Atom N of residue 338
Atom C of residue 337
Atom OG of residue 337
Atom CB of residue 337
Atom CA of residue 337
SER
Atom N of residue 337
Atom C of residue 336
Atom O of residue 394
Atom CB of residue 336
Atom O of residue 334
Atom C of residue 334
Atom CE of residue 334
Atom CD of residue 334
Atom CG of residue 334
Atom CB of residue 334
Atom CA of residue 334
LYS
Atom N of residue 334
Atom O of residue 333
Atom OG1 of residue 333
Atom CB of residue 333
Atom CA of residue 333
THR
Atom O of residue 332
Atom C of residue 332
Atom CB of residue 332
Atom CA of residue 332
Atom N of residue 332
Atom O of residue 331
Atom C of residue 331
ALA
Atom O of residue 330
SER
Atom N of residue 330
Atom C of residue 329
Atom OG of residue 329
Atom CB of residue 329
Atom CA of residue 329
Atom O of residue 328
Atom C of residue 328
Atom CG2 of residue 328
Atom CG1 of residue 328
Atom N of residue 328
Atom O of residue 327
Atom C of residue 327
Atom OG1 of residue 327
Atom CA of residue 327
THR
Atom N of residue 327
Atom C of residue 326
Atom CG2 of residue 326
Atom CG1 of residue 326
Atom CB of residue 326
Atom CA of residue 326
VAL
Atom N of residue 326
Atom O of residue 325
Atom CG2 of residue 325
Atom CB of residue 325
Atom CA of residue 325
THR
Atom N of residue 325
Atom O of residue 324
Atom OG1 of residue 324
Atom CB of residue 324
Atom CA of residue 324
THR
Atom N of residue 324
Atom O of residue 323
Atom C of residue 323
Atom CA of residue 323
GLY
Atom N of residue 323
Atom NE2 of residue 322
Atom CD of residue 322
Atom CG of residue 322
Atom CB of residue 322
GLN
Atom N of residue 322
Atom O of residue 321
Atom C of residue 321
Atom N of residue 321
Atom O of residue 320
Atom C of residue 320
Atom CZ3 of residue 320
Atom CZ2 of residue 320
Atom CE3 of residue 320
Atom CE2 of residue 320
Atom NE1 of residue 320
Atom CD2 of residue 320
Atom CG of residue 320
Atom CB of residue 320
TRP
Atom N of residue 320
Atom O of residue 319
Atom C of residue 319
Atom CD1 of residue 319
Atom CG of residue 319
Atom CB of residue 319
Atom CA of residue 319
LEU
Atom N of residue 319
Atom O of residue 318
Atom C of residue 318
Atom OD2 of residue 318
Atom OD1 of residue 318
Atom CG of residue 318
Atom CB of residue 318
Atom CA of residue 318
ASP
Atom N of residue 318
Atom O of residue 317
Atom C of residue 317
Atom OG of residue 317
Atom CB of residue 317
SER
Atom N of residue 317
Atom O of residue 316
Atom C of residue 316
Atom CB of residue 316
Atom CA of residue 316
ALA
Atom N of residue 316
Atom C of residue 315
Atom CZ of residue 315
Atom CE2 of residue 315
Atom CE1 of residue 315
Atom CG of residue 315
TYR
Atom N of residue 315
Atom O of residue 314
Atom CD1 of residue 314
Atom CB of residue 314
LEU
Atom N of residue 314
Atom C of residue 313
Atom CG of residue 313
Atom CB of residue 313
Atom CD of residue 313
Atom CA of residue 313
PRO
Atom N of residue 313
Atom NH2 of residue 312
Atom NH1 of residue 312
Atom CZ of residue 312
Atom NE of residue 312
Atom CD of residue 312
Atom CG of residue 312
Atom CB of residue 312
Atom CA of residue 312
ARG
Atom N of residue 312
Atom O of residue 311
Atom C of residue 311
Atom OE2 of residue 311
Atom OE1 of residue 311
Atom CD of residue 311
Atom CG of residue 311
Atom CB of residue 311
Atom N of residue 311
Atom O of residue 310
Atom C of residue 310
Atom NH2 of residue 310
Atom NH1 of residue 310
Atom NE of residue 310
Atom CD of residue 310
Atom CG of residue 310
Atom N of residue 310
Atom C of residue 309
Atom N of residue 309
Atom C of residue 308
Atom SG of residue 308
Atom CB of residue 308
Atom CA of residue 308
CYS
Atom O of residue 307
Atom C of residue 307
Atom OH of residue 307
Atom CE2 of residue 307
Atom CE1 of residue 307
Atom CD1 of residue 307
Atom CG of residue 307
Atom CB of residue 307
Atom CA of residue 307
TYR
Atom O of residue 306
Atom C of residue 306
Atom OH of residue 306
Atom CZ of residue 306
Atom CE2 of residue 306
Atom CD2 of residue 306
Atom CD1 of residue 306
Atom CA of residue 306
TYR
Atom N of residue 306
Atom C of residue 305
Atom CG1 of residue 305
Atom CA of residue 305
VAL
Atom N of residue 305
Atom C of residue 304
Atom CB of residue 304
Atom O of residue 303
Atom C of residue 303
Atom OG1 of residue 303
Atom CA of residue 303
THR
Atom N of residue 303
Atom O of residue 302
Atom C of residue 302
Atom N of residue 302
Atom OE1 of residue 301
Atom CG of residue 301
Atom CB of residue 301
Atom C of residue 299
Atom CD of residue 299
Atom CB of residue 299
Atom CA of residue 299
Atom CD2 of residue 298
Atom CG of residue 298
Atom CB of residue 298
Atom CA of residue 298
Atom N of residue 298
Atom O of residue 297
Atom CB of residue 297
Atom CA of residue 297
Atom O of residue 296
Atom OG of residue 296
Atom CB of residue 296
Atom CA of residue 296
Atom O of residue 295
Atom CD1 of residue 295
Atom CG of residue 295
Atom CB of residue 295
LEU
Atom N of residue 295
Atom OE2 of residue 294
Atom OE1 of residue 294
Atom CD of residue 294
Atom CG of residue 294
Atom CB of residue 294
Atom CA of residue 294
GLU
Atom N of residue 294
Atom O of residue 293
Atom C of residue 293
Atom CE of residue 293
Atom SD of residue 293
Atom CG of residue 293
Atom CB of residue 293
Atom CA of residue 293
MET
Atom N of residue 293
Atom O of residue 292
Atom C of residue 292
Atom OH of residue 292
Atom CE2 of residue 292
Atom CD2 of residue 292
Atom CD1 of residue 292
Atom C of residue 392
Atom CG of residue 292
Atom CB of residue 292
Atom O of residue 392
Atom O of residue 291
Atom CB of residue 291
Atom N of resi