Configuring module compatibility version SVN.r14111
Configuring module base version SVN.r14111 with Boost.FileSystem
Configuring module benchmark version SVN.r14111 with Boost.ProgramOptions
Configuring module RMF version SVN.r14111
Configuring module cgal version SVN.r14111
Configuring module algebra version SVN.r14111 with cgal
Configuring module kernel version SVN.r14111 with Boost.FileSystem
Configuring module display version SVN.r14111 with cgal
Configuring module core version SVN.r14111 with cgal
Configuring module container version SVN.r14111
Configuring module atom version SVN.r14111 with Boost.FileSystem, cgal
Configuring module statistics version SVN.r14111
Configuring module rmf version SVN.r14111
Configuring module domino version SVN.r14111 with RMF
Configuring module em version SVN.r14111
Configuring module saxs version SVN.r14111
Configuring module gsl version SVN.r14111
Configuring module modeller version SVN.r14111
Configuring module restrainer version SVN.r14111
Configuring module multifit version SVN.r14111
Configuring module em2d version SVN.r14111 with OpenCV21
Configuring module misc version SVN.r14111
Configuring module system version SVN.r14111
Configuring module isd version SVN.r14111
Configuring module example version SVN.r14111
Configuring module kmeans version SVN.r14111
Configuring module parallel version SVN.r14111
Configuring module pepdock version SVN.r14111
Configuring module scratch version SVN.r14111
Configuring application EModel2D version SVN.r14111
Configuring application foxs version SVN.r14111
Configuring application integrative_docking version SVN.r14111
Configuring application saxs_tools version SVN.r14111
Configuring application saxs_merge version SVN.r14111
Configuring application em_tools version SVN.r14111
Configuring application ligand_score version SVN.r14111
Configuring application multifit_tools version SVN.r14111
Configuring application rmf_tools version SVN.r14111
Configuring application pdb_tools version SVN.r14111
Configuring application example_app version SVN.r14111
Configuring system Groel version SVN.r14111
Configuring system rnapii version SVN.r14111
Configuring system nup84 version SVN.r14111
Configuring module example_system_local version SVN
Configuring system example_system version SVN.r14111
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/base/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/base/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.base --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/base/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/base/test/test_objects.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/base/test/test_random.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/base_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_base_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/base/test/fast-test.results.out) > /dev/null
Test getting all objects ... ok
Test the random number generator ... ok
Running C++ test basetest_cache ... ok
Running C++ test basetest_pair_memoizer ... ok
Running C++ test basetest_show ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 9 tests in 1.268s

OK
base module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/benchmark/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/benchmark/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.benchmark --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/benchmark/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_benchmark_standards.py >/scratch/nightly-build-21548/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 0.018s

OK
benchmark module unit tests succeeded
modules/atom/src/MolecularDynamics.cpp: In member function 'virtual void IMP::atom::MolecularDynamics::assign_velocities(IMP::Float)':
modules/atom/src/MolecularDynamics.cpp:190: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_cached_rho' may be used uninitialized in this function
modules/atom/src/MolecularDynamics.cpp:190: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_r1' may be used uninitialized in this function
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In function 'IMP::Particle* IMP::atom::::m2_atom_particle(IMP::Model*, const std::string&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/librmf/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/adding_data.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/alias.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/create.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/rmf_decorator.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/rmf_xml.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/examples/fast-test.results.out) > /dev/null
Run example adding_data.py ... in 1.767s ... 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 2.457s

OK
RMF examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/librmf/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=RMF --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_aliases.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_associations.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_backwards.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_bad_geometry.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_closing.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_copy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_data_types.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_description.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_errors.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_file_level.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_low_level.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_multikey.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_prmf.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/test_sets.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/RMF_cpp_test_programs.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/librmf/test/fast-test.results.out) > /dev/null
Test that aliases can be used and resolve ... ok
Test that associations work from python ... ok
Test opening pre-category change files ... ok
Test example where fill was bad ... ok
Test closing an RMF file ... ok
Test copying an rmf file ... in 3.042s ... 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 4.550s

OK (skipped=2)
RMF module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/algebra/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/examples/geometry.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/examples/grid_space.py >/scratch/nightly-build-21548/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 0.035s

OK
algebra examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/algebra/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.algebra --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_bounding_box.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_cone.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_cylinder.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_dynamic_nn.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_eigen_analysis.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_geom_alignment.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_grid.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_inverse.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_log_grid.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_matrix2d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_matrix3d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_nearest_neighbor.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_random_ball.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_random_chain.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_random_rotations.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_regression_fit.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_rigid_transformation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_rotation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_shortest_segment.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_sphere.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_sphere_cover.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_sphere_patch.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_spherical_coords.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_transformation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_triangle3d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_uniform_rotation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_vector3d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_vector4d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_vector_on_box.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_vectorkd.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_vol.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_xyz.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/test_zyz.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/algebra_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_algebra_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/algebra/test/fast-test.results.out) > /dev/null
Check that the bounding box is constructed correctly ... ok
Check the union function ... ok
Check that cones on Z are constructed correctly ... ok
Testing sampling a patch ... ok
Check Cylinder3D construction from vectors ... ok
Check grid cover when the direction of the ... ok
Check grid cover when the center of cylinder ... ok
Check grid cover when the direction of the ... ok
Check uniform cover with cylinder not on the Z axis ... ok
Check whether the cylinder volume is uniformly sampled ... in 3.151s ... 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 ... in 1.045s ... ok
Testing the creation of a random chain with obstacles ... in 1.364s ... 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 ... in 1.316s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 128 tests in 11.104s

OK (skipped=2)
algebra module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/kernel/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/basic_optimization.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/chain.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/dependency_graph.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/dock_with_crosslinks.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/graph.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/nup84_cg.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/nup84_rb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/write_a_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/write_an_optimizer_state.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/examples/fast-test.results.out) > /dev/null
Run example basic_optimization.py ... in 2.235s ... 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 3.083s ... 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 17.827s ... ok
Run example write_a_restraint.py ... ok
Run example write_an_optimizer_state.py ... ok

----------------------------------------------------------------------
Ran 9 tests in 24.088s

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 /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/kernel/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_comparisons.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_config_set.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_dependency_graph.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_directories.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_exceptions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_file.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_key.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_log.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_model.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_particle_tuples.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_refcount.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_restraint_sets.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_score_state.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_scoreing_function.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_typemaps.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/kernel_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_kernel_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/fast-test.results.out) > /dev/null
Test comparisons in python ... ok
Testing restore a know state with ConfigurationSet ... ok
Testing no-ops with the ConfigurationSet ... ok
Testing restore with ConfigurationSet ... ok
Test dependency graph ... ok
get_data_directory should raise an error if it does not exist ... ok
Test the get_data_directory function ... ok
Test class hierarchy of IMP exceptions ... ok
Test bad paths trigger IO exceptions with overloads ... ok
Test that conversions to input files work properly ... ok
Test that conversions to output files work properly ... ok
Test temporary files ... ok
Test key aliases ... ok
Test function log looks ok ... ok
Test log targets ... ok
Test log targets at MEMORY log level ... ok
Test time log looks ok ... ok
Check dependencies with restraints and score states ... ok
Check that exceptions raised in directors are handled ... ok
Check particle methods ... ok
Test float attribute ranges ... ok
Refcounting should prevent director Restraints from being deleted ... ok
Refcounting should prevent director ScoreStates from being deleted ... ok
Check restraint methods ... ok
Check score state methods ... ok
Check Model.show() method ... ok
Test score state show method ... ok
Check free restraint methods ... ok
Test ParticlePair objects ... ok
Test ParticleQuad objects ... ok
Test ParticleTriplet objects ... ok
Test browsing of particle attributes ... ok
Test comparisons of particles and decorators ... ok
Test get/set of derivatives ... ok
Check particle identity ... ok
Test particle get_ and set_ methods ... ok
Check that particles and decorators hash in python ... ok
Test that we can allocate many particles ... in 3.382s ... ok
Check that operations fail on particles once the model is gone ... ok
Test that particle attributes are available and correct ... ok
Test that attributes can be removed ... ok
Python Particles from vector accessors should survive model deletion ... ok
Python Restraints from vector accessors should survive model deletion ... ok
Python restraints from vector accessors should survive model deletion ... ok
Constructed Python Particles should survive model deletion ... ok
Python Restraints from iterators should survive model deletion ... ok
Check that ref counting works with removing particles ... ok
Test that sequences are refcounted properly ... ok
Check that ref counting of particles works within python ... ok
Check reference counting of restraints ... ok
Check that removed particles are skipped ... ok
Test evaluate() of RestraintSets and their children ... ok
Test restraints added multiple times ... ok
Test that sets can be printed ... ok
Test that restraints are usable after set is destroyed ... ok
Check access to RestraintSet's restraints ... ok
Test ScoreState::show() ... ok
Test scoring function linkage ... ok
Check that scoring functions are cleaned up ... FAIL
Check float typemaps ... ok
Check int typemaps ... ok
Check ints list typemaps ... ok
Check ints lists typemaps ... ok
Check string typemaps ... ok
Test that casting objects works ... ok
Check floatkey typemaps ... ok
Check decorators ... ok
Checking decorator conversions work ... ok
Checking conversion of decorators to particles ... ok
Checking conversion of decorator to particle ... ok
Check decorators traits ... ok
Test that decorator particle methods can be called ... ok
Test director methods in restraint ... ok
Checking bad list ... ok
Check int pairs typemap ... ok
Test that model objects can get passed from python ... ok
Check particle typemaps ... ok
Checking that overloading works ... ok
Check overloaded functions with decorators ... ok
Checking that conversion to/from pairs is OK ... ok
Checking that conversion from IntRange is OK with overload ... ok
Check pairs ... ok
Test that decorators provide particle methods ... ok
test_particles_temps (_test_17.ParticleTests) ... ok
Checking tuple conversions work ... ok
Running C++ test kerneltest_memory ... ok
Running C++ test kerneltest_pdb ... ok
Running C++ test kerneltest_stream_io ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.354s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

======================================================================
FAIL: Check that scoring functions are cleaned up
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py", line 37, in test_temp_restraints
    dirchk.assert_number(2)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 728, in assert_number
    str(newnames))
AssertionError: 3 != 2 : Number of objects don't match: 3 != 2 found ['Model 43']

----------------------------------------------------------------------
Ran 92 tests in 5.789s

FAILED (failures=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P6
Model 19
P4
P0
P4
P2
P1
P0
P3
P2
P10
P11
P5
P4
P9
P10
P6
P7
P8
P1
P3
P2
P4
Model 28
P0
P2
P11
P3
P1
P6
P3
Model 20
P10
P4
Restraint 10
P5
P5
P6
P7
P9
P11
P10
P7
P8
P5
P6
P5
P0
P3
P6
P9
P11
P11
P8
P4
P5
P6
P8
P3
P1
P2
Model 24
P7
P8
P2
Restraint 10 scoring
P1
P3
P4
P2
dummy
P5
P6
Model 21
P4
P11
P0
P9
P5
P4
P10
P7
P11
P0
P3
P9
P6
P8
P10
P4
P1
Model 22
P1
P13
P9
P0
P7
P8
P9
P0
dummy scoring
P10
Model 27
P1
Model 18
P10
P11
P1
P0
P10
P7
P8
P7
P3
P8
P2
P7
dummy
P3
P2
P0
P11
P7
P5
P6
P11
P8
P12
P9
P1
dummy scoring
P9
P2
Model 23
P10
P9
P5
scons: *** Error 1
kernel module unit tests FAILED
Running kernel module unit tests
scons: *** [modules/kernel/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/display/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/basic_geometry.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/display_log.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/displaying_ensembles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/show_particles_as_spheres.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/display/examples/fast-test.results.out) > /dev/null
Run example basic_geometry.py ... ok
Run example display_log.py ... in 1.748s ... ok
Run example displaying_ensembles.py ... in 31.230s ... ok
Run example show_particles_as_spheres.py ... ok

----------------------------------------------------------------------
Ran 4 tests in 33.065s

OK
display examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/display/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.display --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_chimera.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_cmm.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_colormap.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_create_writer.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_isosurface.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_log.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_mesh.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_pivy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_polygon.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_pymol.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_textwriter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/display/test/test_writers.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_display_standards.py >/scratch/nightly-build-21548/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 ... in 1.020s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 23 tests in 1.666s

OK (skipped=5)
display module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/core/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/XYZR_Decorator.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/XYZ_Decorator.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/connectivity_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/cover_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/excluded_volume.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/incremental_mc.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/ms_connectivity_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/optimize_balls.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/pair_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/restrain_diameter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/rigid_collisions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/examples/symmetry.py >/scratch/nightly-build-21548/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 ... in 1.047s ... ok
Run example excluded_volume.py ... ok
Run example incremental_mc.py ... in 1.949s ... ok
Run example ms_connectivity_restraint.py ... ok
Run example optimize_balls.py ... in 49.639s ... ok
Run example pair_restraint.py ... ok
Run example restrain_diameter.py ... ok
Run example rigid_bodies.py ... in 8.087s ... ok
Run example rigid_collisions.py ... ok
Run example symmetry.py ... ok

----------------------------------------------------------------------
Ran 13 tests in 61.989s

OK
core examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/core/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.core --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_angle.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_blame.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_box.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_centroid.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_cg_optimizer.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_children.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_close_pair_finders.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_close_pairs_ps.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_connectivity.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_cosine.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_cover.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_cover_refiner.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_destroy_rigid_body.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_diameter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_dihedral.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_display_deriv.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_distance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_ev.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_geom_alignment.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_get_from.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_harmonic.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_hierarchy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_incremenal_mc.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_incremenal_scoring.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_linear.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_mccg.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_ms_connectivity.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_nested_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_refined_pairs_ps.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_restraints_scoring_function.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_rigid_distance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_score_log.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_sd_optimizer.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_splines.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_table.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_to_from_refined.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_transform.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_transform_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_truncated_harmonic.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_typed_pair_score.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/test_xyzr.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/core_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_core_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/core/test/fast-test.results.out) > /dev/null
Check derivatives of angle restraints ... in 1.264s ... ok
Check score of angle restraints ... ok
Check AngleRestraint::show() method ... ok
Check that code to display blame runs ... ok
Test the box score ... ok
Test centroid of refined decorator ... ok
Check that we can optimize the Woods function with CG ... ok
Make sure the Children refiner works ... ok
Testing GridClosePairsFinder ... in 3.830s ... ok
Testing NearestNeighborsClosePairsFinder ... in 4.492s ... ok
Testing QuadraticClosePairsFinder ... in 4.130s ... ok
Testing RigidClosePairsFinder ... in 2.565s ... ok
Testing BoxSweepClosePairsFinder ... in 3.852s ... ok
Checking close pairs pair score ... ok
Checking k-close pairs pair score ... ok
Test connectivity restraint. ... ok
Test that cosine values are correct ... ok
Test cover refined ... ok
Test cover refined decorator ... ok
Testing destroy rigid body ... ok
Test that diameter restraints are reasonable ... ok
Check score of dihedral restraints ... ok
Testing execution of derivative display support ... ok
Test that distance restraints are reasonable ... ok
Test filters on excluded volume ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Testing rigid alignment of xyz sets ... ok
Test get_from cast ... ok
Test get_from with NULL pointer ... ok
Test Harmonic accessors ... ok
Check Harmonic::show() method ... ok
Test that harmonic values are correct ... ok
Check that an alternate hierarchy works fine ... ok
Check that the hierarchy works fine ... ok
Testing incremental scoring with Monte Carlo ... in 6.612s ... ok
Testing incremental scoring with Monte Carlo and a nbl ... in 3.365s ... ok
Testing incremental scoring with non-bonded ... ok
Testing incremental scoring with rigid bodies ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Testing incremental scoring ... ok
Test Linear accessors ... ok
Check Linear::show() method ... ok
Test that linear values are correct ... ok
Check that MCCG can make spheres connect not penetrate ... ok
Test for the connectivity restraint. ... ok
Test for the correctness of the graph 1. ... ok
Test for the correctness of the graph 2. ... ok
Test nested rigid bodies and close pairs ... ok
Checking refine pairs pair score ... ok
Test that restraints decompose ok ... ok
Test that sets can be weighted ... ok
Testing create_rigid_body ... ok
Testing create_rigid_bodies ... ok
Testing tearing down rigid bodies ... ok
Checking rigid distance pair score ... ok
Checking rigid distance pair score against one ... ok
Test restraint score log ... ok
Test that steepest descent optimizer brings particles together ... ok
Test that steepest descent optimizer spreads particles apart ... ok
Test that spline-interpolated values are correct ... ok
Test for spline out of range condition ... ok
Check cubic spline show() methods ... ok
Make sure the Table PR works ... ok
Test copying derivatives from refined ... ok
Test copying derivatives to refined ... ok
Test the transform pair score basics ... ok
Test the transform pair score optimization ... ok
Test the TransformationFunction class ... ok
Check TruncatedHarmonicLowerBound ... ok
Check TruncatedHarmonicUpperBound ... ok
Check TruncatedHarmonicBound ... ok
Check TypedPairScore::evaluate() ... ok
Check TypedPairScore behavior with invalid particle types ... ok
Testing XYZR decorators ... ok
Testing XYZR overload decorators ... ok
Running C++ test coretest_generic ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 2.913s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 78 tests in 36.811s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
TupleRestraint 97
Optimizer1
DistancePairScore 84
UnaryFunction205
ModelScoringFunction22
P2
P2
Model 70
Model 73
P0
TupleRestraint 77
P6
DistancePairScore 82
TupleRestraint 76
P3
UnaryFunction151
msconnectivity list
UnaryFunction161
DistancePairScore 98
P0
DistancePairScore 89
TupleRestraint 84
UnaryFunction187
UnaryFunction153
UnaryFunction154
P4
UnaryFunction206
UnaryFunction155
P4
DistancePairScore 93
DistancePairScore 78
P5
msconnectivity list
DistancePairScore 80
P6
msconnectivity list
P0
P7
UnaryFunction162
DistancePairScore 91
P2
DistancePairScore 100
DistancePairScore 81
DistancePairScore 94
TupleRestraint 82
TupleRestraint 92
msconnectivity list
P3
DistancePairScore 92
P4
P2
P5
Model 84
Model 71
UnaryFunction166
P6
P3
P3
Model 69
P4
DistancePairScore 101
TupleRestraint 88
P0
P3
UnaryFunction165
Model 68
P0
UnaryFunction164
P2
DistancePairScore 77
P5
UnaryFunction207
DistancePairScore 95
P2
TupleRestraint 81
TupleRestraint 80
TupleRestraint 83
TupleRestraint 94
DistancePairScore 76
UnaryFunction158
P2
TupleRestraint 79
MSConnectivityRestraint 1
DistancePairScore 83
DistancePairScore 79
MSConnectivityRestraint 4
P1
P4
P1
DistancePairScore 90
UnaryFunction156
UnaryFunction150
DistancePairScore 86
P0
P5
UnaryFunction208
UnaryFunction157
TupleRestraint 96
MSConnectivityRestraint 5
P5
ModelScoringFunction21
MSConnectivityRestraint 2
UnaryFunction160
P1
TupleRestraint 75
P1
DistancePairScore 87
P2
Model 56
P3
P0
DistancePairScore 99
DistancePairScore 96
P1
P2
distance_rsrs
TupleRestraint 85
P7
P0
msconnectivity list
UnaryFunction159
DistancePairScore 85
P7
TupleRestraint 89
TupleRestraint 93
UnaryFunction185
P1
P5
TupleRestraint 74
Model 85
DistancePairScore 88
P1
Model 72
P4
P1
UnaryFunction186
UnaryFunction152
P0
TupleRestraint 86
msconnectivity list
distance_rsrs
DistancePairScore 97
UnaryFunction163
Optimizer0
DistancePairScore 75
UnaryFunction167
TupleRestraint 95
MSConnectivityRestraint 0
TupleRestraint 87
TupleRestraint 78
MSConnectivityRestraint 3
P1
TupleRestraint 90
TupleRestraint 91
UnaryFunction209
UnaryFunction204
core module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/container/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/bipartite_nonbonded_interactions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/connectivity.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/filter_close_pairs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/nonbonded_interactions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/examples/restrain_in_sphere.py >/scratch/nightly-build-21548/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 0.515s

OK
container examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/container/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.container --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_all_pairs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_close_bipartite_pairs_score_state.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_close_pairs_score_state.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_connectivity_container.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_consecutive_pair_container.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_decomp.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_distribute.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_events.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_particle_pair_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_particle_pair_state.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_particle_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_particle_state.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/test_removes.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/container_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_container_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/container/test/fast-test.results.out) > /dev/null
Check AllPairContainer ... in 2.201s ... 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 3.520s ... ok
Test ClosePairContainer complete list over time ... in 3.327s ... ok
Test ClosePairContainer with rigid finder ... in 8.226s ... ok
Test connectivity zero set ... ok
Test connectivity ... ok
Test consecutive pair container decomposition ... ok
Checking decomposition of plural restraints ... ok
Checking distribute particles ... ok
Check the event optimizer states ... ok
Test the MinimumPairRestraint ... ok
Test the MinimumPairScore ... ok
Test the PairsRestraint ... ok
Testing PairContainerSet ... ok
Test the PairRestraint ... ok
Testing PairsConstraint ... ok
Testing PairConstraint ... ok
Test the MinimumSingletonRestraint ... ok
Test the MinimumSingletonScore ... ok
Test the SingletonsRestraint ... ok
Testing SingletonContainerSet ... ok
Test the SingletonRestraint ... ok
Testing SingletonsConstraint ... ok
Testing SingletonConstraint ... ok
Check that removal from a list container works and removal from model ... ok
Running C++ test containertest_consecutive_pair_container ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 2.028s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 37 tests in 23.778s

OK
container module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/atom/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/assess_dope.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/brownian_statistics.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/cg_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/charmm_forcefield.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/charmm_forcefield_verbose.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/load_protein_restrain_bonds.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/markers.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/molecular_hierarchy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/rigid_brownian_dynamics.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/score_protein_with_ligand.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/structure_from_sequence.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/examples/fast-test.results.out) > /dev/null
Run example assess_dope.py ... in 5.908s ... ok
Run example brownian_statistics.py ... ok
Run example cg_pdb.py ... in 1.899s ... ok
Run example charmm_forcefield.py ... in 15.859s ... ok
Run example charmm_forcefield_verbose.py ... in 15.804s ... ok
Run example load_protein_restrain_bonds.py ... in 1.586s ... ok
Run example markers.py ... in 1.180s ... ok
Run example molecular_hierarchy.py ... in 10.248s ... ok
Run example rigid_brownian_dynamics.py ... in 8.168s ... ok
Run example score_protein_with_ligand.py ... in 85.713s ... ok
Run example structure_from_sequence.py ... ok

----------------------------------------------------------------------
Ran 11 tests in 146.533s

OK
atom examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/atom/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.atom --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_bd_singleton_score.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_bond_decorator_particle_pair_container.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_bond_refiner.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_bonds.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_charged_decorator.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_charmm_atom.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_charmm_parameters.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_charmm_stereochemistry.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_charmm_topology.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_clone.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_coulomb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_cover.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_cover_bond.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_create_protein.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_dihedrals.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_distance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_dna_simpl.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_element.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_estimates.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_force_switch.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_fragment.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_free_model.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_get_residue.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_hierarchy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_hierarchy_conversion.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_hierarchy_navigation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_lennard_jones_decorator.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_lennard_jones_pair_score.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_md_optimizer.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_md_states.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_mol2.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_pattern.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_pdb_frames.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_pdb_string.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_protein_ligand_score.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_rb_bd.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_ref_optimizer_states.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_refcount_hierarchy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_residue.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_residue_type.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_rg.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_rigid_alignment_with_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_rmsd_and_no.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_simplify.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_stereo_pair_filter.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_atom_standards.py >/scratch/nightly-build-21548/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 ... in 1.023s ... 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 6.933s ... ok
Test manual construction of topology ... ok
Check the CHARMM patch class ... ok
Test CHARMM residue topology objects ... ok
Test CHARMMTopology::setup_hierarchy() method ... ok
Test application of single-residue patches ... ok
Check close and destroy Hierarchy ... ok
Destroy of a child should update the parent ... ok
Check derivatives of CoulombPairScore ... ok
Check CoulombPairScore get/set methods ... ok
Check smoothing of CoulombPairScore ... ok
Check score value of CoulombPairScore ... ok
Check cover from selection ... in 1.803s ... ok
Check cover from rigid selection ... in 7.902s ... ok
Test cover bond ... ok
Test dihedral functions ... ok
Test drms measure taking into account rigid bodies ... in 3.030s ... ok
Testing that component placement score returns the same transformation if called twice ... in 3.733s ... ok
Test drms measure ... in 2.669s ... ok
Testing the mass and volume estimates ... in 1.478s ... 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 ... in 1.401s ... ok
Test get_optimizer_states() method ... ok
Test that MD generates particle velocities ... ok
Should skip particles without xyz attributes ... ok
Check that non-rigid MD translation is Newtonian ... ok
Test thermostatting by velocity rescaling ... ok
Check temperature ... ok
Check that velocity capping works ... ok
Test Berendsen thermostat ... ok
Test Langevin thermostat ... ok
Ensure that rigid removal works with a 1-particle system ... ok
Ensure that rigid rotation is removed ... ok
Ensure that rigid translation is removed ... ok
Check that written mol2s look right ... ok
Check reading a mol2 file containing small molecules ... ok
Check that a mol2-created hierarchy can be written to a PDB ... ok
Check use of Selection ... ok
Check that read_pdb behaves OK on invalid files ... ok
Check that only the first model is read ... ok
Test PDBSelectors implemented in Python ... ok
Check reading a pdb with one protein ... in 3.635s ... 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 6.270s ... ok
Check brownian dynamics with rigid bodies ... FAIL
in 5.540s ... OptimizerStates from vector accessors should survive Optimizer del. ... ok
Constructed Python states should survive optimizer deletion ... ok
Check reference counting of OptimizerStates ... ok
Check that pdbs with rigid bodies don't have circular ref counts ... ok
Check Residue get_is_*() methods ... ok
Check equality of ResidueType types ... ok
Check get residue type from one-letter code ... ok
Check radius of gyration of a ball ... ok
Check radius of gyration with two balls ... in 2.053s ... ok
Check radius of gyration ... ok
Rigid aligment with rigid bodies ... in 10.167s ... ok
Rigid aligment without rigid bodies ... in 1.673s ... ok
Testing proper results for RMSD ... ok
Testing proper results for native overlap ... in 1.339s ... ok
Testing proper results for RMSD ... in 1.430s ... ok
Test RMSD for vectors and XYZs ... ok
Test protein simplification by residues ... in 2.200s ... ok
Test protein simplification by segments ... in 1.022s ... ok
Check the StereochemistryPairFilter exclusions ... ok
Check StereochemistryPairFilter input particles ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 2.124s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

======================================================================
FAIL: Check brownian dynamics with rigid bodies
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/atom/test/test_rb_bd.py", line 56, in test_bonded
    self.assert_(e<2)
AssertionError: False is not True

----------------------------------------------------------------------
Ran 147 tests in 83.084s

FAILED (failures=1, skipped=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P3
P493
P257
P127
P494
P85
P260
P128
P86
P495
P129
P389
P261
P85
P262
P42
P496
P390
P86
ModelScoringFunction6
P43
P391
P87
P258
P497
P26
P44
P259
P498
P394
P12
P265
P395
P0
P266
P16
OptimizerState 1
P396
P267
P413
P72
P120
P284
P263
P35
P420
P121
P74
P397
P1
P425
P38
P285
P264
P122
P133
P17
P421
P124
P136
P426
P398
P286
P123
P137
P427
P399
P414
P125
P287
P39
P54
P428
P1
ModelScoringFunction2
P400
P40
P415
P126
P288
P58
P41
P2
P429
P392
OptimizerState 2
P138
P416
P289
MD 5
P5
P139
P430
P393
P292
P417
P140
P68
P236
P431
P293
OptimizerState 3
P134
P418
P20
P71
P239
Model 66
Model 65
P21
P59
P74
P432
P240
P294
P419
P14
P76
P34
P433
P104
P227
P422
P51
P208
P11
P295
P228
P105
P434
P52
P423
P45
P296
P209
P106
P229
P54
P46
P210
P463
P424
P230
P47
P297
P213
P231
P218
P472
P298
P384
P75
P232
P77
P219
P233
P385
P435
P0
P78
P211
P277
P290
P278
P212
P436
P371
P53
P291
P217
P279
P437
P192
P372
P22
P204
P274
P193
P206
P95
P438
P23
P194
P373
P0
P275
P25
P207
P96
P439
P188
P1
P374
P0
P280
P24
P189
P97
P199
P440
MD 6
P87
P375
P281
P36
P197
P56
P202
P47
P98
P200
P37
P88
P68
P441
P60
P376
P282
P203
P48
P99
P201
P205
P61
P73
P69
P442
P241
P377
P283
P10
P195
P70
P242
P196
P443
P243
P378
P51
P198
P245
P41
P15
P444
P22
P66
P379
P237
P18
P67
P238
P37
P117
P445
P9
P380
P247
P248
P89
P118
ModelScoringFunction7
P255
MD 2
P446
P31
P119
P381
P249
P90
P32
P256
Model 64
P447
P250
P38
P0
P382
P244
P251
P60
P246
P448
P71
P383
P88
P44
P252
P61
P220
P72
P449
P89
P63
P386
P39
P73
P253
P221
ModelScoringFunction3
P90
P450
P387
P83
P222
Restraint 1
P40
P254
P84
P451
P388
P214
P401
P215
P452
P183
P20
P93
P18
P13
P402
P185
P216
P453
P94
P226
P97
P186
P46
P403
P75
P234
P9
P454
P98
P187
P77
P235
P30
P404
P7
P190
P455
P223
P191
P45
P409
OptimizerState 4
P224
P456
MD 0
P410
P184
P225
P28
Model 67
P473
P457
P29
P162
P411
P0
P21
P474
P50
P172
P458
P66
P19
P52
P412
P268
P173
P355
P464
P67
P459
P269
P13
P114
P159
P356
P405
P161
P322
P465
P460
P115
P163
P116
P407
P331
P466
P461
P324
P408
P332
P467
P462
P325
P333
P468
P326
P24
P334
P469
P327
P361
P12
P5
P335
P364
P94
P470
P328
P69
P4
P62
P26
P70
P95
P336
P365
P471
P64
P329
P96
P4
P475
P6
P65
P337
P100
P366
P107
P330
P8
P476
P101
P108
P338
P19
P367
P102
P109
P28
P323
P477
P103
P33
P339
P270
P368
P34
P49
P478
P271
P340
P369
P406
P272
P27
ModelScoringFunction5
P56
P341
P79
P273
P29
P14
P370
P65
P58
P16
P81
P150
P276
P342
P35
P299
P151
P59
P362
P152
Model 70
P309
P343
P154
P27
P363
P310
P3
P144
P344
P145
P8
P318
P2
P345
P300
P146
P110
P36
P30
P319
P111
P346
P147
P62
P31
P301
P112
P156
P42
P320
P113
P32
P347
P33
P158
P302
P79
ModelScoringFunction1
P321
P160
P348
P303
P80
P53
P153
P479
P315
P349
P81
P55
P155
P304
OptimizerState 0
MD 1
P480
P57
P157
P316
P350
P305
P481
P317
P351
P306
P174
P482
Model 69
P352
P17
P307
P175
MD 3
P483
P176
P353
MD 4
P15
P82
P308
P43
P484
P83
P354
P164
P311
P91
P84
P485
P165
P312
P92
P359
P166
P486
P93
P76
P0
P313
P48
P91
P167
P360
P55
P78
P80
P49
P499
P57
P168
P357
P314
P92
P82
P50
P169
P143
P500
P358
P148
P170
P25
P99
P149
P171
P100
P487
P180
P141
Model 68
P488
P181
P63
P142
P182
P130
P64
Restraint 0
ModelScoringFunction4
P489
P131
P23
P177
P11
P132
P178
P490
P135
P179
P6
P491
P7
P10
P492
scons: *** Error 1
atom module unit tests FAILED
Running atom module unit tests
scons: *** [modules/atom/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/statistics/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/examples/kmeans.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/examples/write_a_metric.py >/scratch/nightly-build-21548/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 0.172s

OK
statistics examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/statistics/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.statistics --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_bin_cluster.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_centrality_cluster.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_connectivity_clustering.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_diameter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_histogram.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_histogram_d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_recursive.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_show_histogram.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/test_simple_kmeans.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_statistics_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/statistics/test/fast-test.results.out) > /dev/null
Test bin clustering ... in 7.316s ... ok
Check that the centrality clustering works on trivial sets ... in 2.495s ... 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 13.865s

OK (skipped=3)
statistics module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/rmf/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/geometry.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/multiresolution.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/simulation.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/examples/fast-test.results.out) > /dev/null
Run example geometry.py ... ok
Run example multiresolution.py ... in 21.708s ... ok
Run example pdb.py ... ok
Run example simulation.py ... in 88.611s ... ok

----------------------------------------------------------------------
Ran 4 tests in 111.115s

OK
rmf examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/rmf/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.rmf --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_geometry.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_hierarchy.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_model_dependencies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_multiframe.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_restraints.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies_external.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_round_trip.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/rmf/test/test_static_geometry.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_rmf_standards.py >/scratch/nightly-build-21548/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 4.097s

OK (skipped=1)
rmf module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/domino/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/custom_filter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/domino_approach.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/interactive.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/interactive_with_containers.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/merge_tree.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/multiscale.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/restraint_cache.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/rigid_body_excluded_volume.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/save_assignments.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/six_particles_optimization.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/examples/test_examples.py >/scratch/nightly-build-21548/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 ... in 1.499s ... ok
Run example save_assignments.py ... ok

----------------------------------------------------------------------
Ran 10 tests in 2.525s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
MF0 0
domino examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/domino/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.domino --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_bandb_sampler.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_cache.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_caching_sampling.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_cluster.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_containers.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_default_subset_states.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_default_subset_states_with_filtering.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_filters.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_find_pairs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_interaction_graph.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_ints_list.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_junction_tree.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_merge_tree.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_nested_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_nested_states.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_order.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_permutation_state.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_restraint_cache.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_sampling.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_static_container.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_stray_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/domino/test/test_write_merge_tree.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_domino_standards.py >/scratch/nightly-build-21548/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 10.323s ... ok
Testing default subset states writing to an hdf5 data set ... ok
Testing heap sample container ... ok
Testing default sample container ... ok
Test branch and bound subset states ... in 1.720s ... ok
Test recursive subset states ... in 1.607s ... ok
Test simple subset states ... in 1.611s ... ok
Test filtering with simple and minimal ... in 6.451s ... ok
Test filtering with recursive ... in 8.137s ... ok
Test filtering with simple ... in 8.226s ... ok
Test exclusion filtering pairs ... ok
Test exclusion filtering all ... in 1.607s ... 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 9.638s ... 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 1.892s ... ok
Test nested with transformations ... ok
Testing enumeration with ordering ... ok
Testing enumeration with equiv excl ordering ... ok
Test permutation particle states ... ok
Test cache with decomposition with no max is empty ... ok
Test cache with decomposition with with a max is non-empty ... ok
Test cache with decomposition with set exclusion ... ok
Test cache with decomposition with nested sets ... ok
Test cache with simple restraint ... ok
Testing splitting restraints with rigid bodies ... ok
Testing finding minima with rigid bodies ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Testing splitting restraints with rigid bodies and interestings scores ... ok
Test sampling ... ok
Test sampling with edge scores ... ok
Test handling of unattached particles ... ok
Testing writing and reading a merge tree ... 0 [label=0]
1 [label=1]
10 [label=9 8]
11 [label=7 6]
12 [label=4 5]
13 [label=2 3]
14 [label=0 1]
15 [label=2 0 1 3]
16 [label=7 4 6 5]
17 [label=7 4 6 5 9 8]
18 [label=2 7 4 0 6 1 5 3 9 8]
2 [label=2]
3 [label=3]
4 [label=4]
5 [label=5]
6 [label=6]
7 [label=7]
8 [label=8]
9 [label=9]
10 -> 8 []
10 -> 9 []
11 -> 6 []
11 -> 7 []
12 -> 4 []
12 -> 5 []
13 -> 2 []
13 -> 3 []
14 -> 0 []
14 -> 1 []
15 -> 14 []
15 -> 13 []
16 -> 12 []
16 -> 11 []
17 -> 16 []
17 -> 10 []
18 -> 15 []
18 -> 17 []
ending graph []
ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.232s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 50 tests in 58.024s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 0
Restraint 1 scoring
Restraint 1 scoring
Restraint 2 scoring
Restraint 0 scoring
Restraint 0 scoring
Restraint 1
Restraint 2
Restraint 2 scoring
domino module unit tests succeeded
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:587: Warning(314): 'from' is a python keyword, renaming to '_from'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:587: Warning(314): 'from' is a python keyword, renaming to '_from'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:675: Warning(314): 'in' is a python keyword, renaming to '_in'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:675: Warning(314): 'in' is a python keyword, renaming to '_in'
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/em/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/analyze_convergence.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/cube.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/fit_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/generate_density_map_of_fixed_dimension.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/local_fitting.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/pdb2density.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/examples/fast-test.results.out) > /dev/null
Run example analyze_convergence.py ... in 7.053s ... ok
Run example cube.py ... ok
Run example fit_restraint.py ... in 94.570s ... ok
Run example generate_density_map_of_fixed_dimension.py ... in 6.478s ... ok
Run example local_fitting.py ... in 340.096s ... ok
Run example pdb2density.py ... in 55.508s ... ok

----------------------------------------------------------------------
Ran 6 tests in 503.712s

OK
em examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/em/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_add_map2map/test_add_map2map.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_calc_cc/test_calc_cc.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_calc_cc/test_correlation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_correlation_decomposition.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_coverters.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_crop.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_density2particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_densityMapVolumetrics.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_derivs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_em_fit.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_envelope_penetration_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_fitting_grid_search_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_fitting_of_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_get_density.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_kernel_parameters.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_local_fitting.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_map_header.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_module.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_origin_spacing.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_pad_margin.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_protein_fit_at_different_resolutions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_read_write_maps/test_read_write_map.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_refcount.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_resample.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_resample_by_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_rigid_cc_score_by_grid_rotation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_rigid_fitting_by_grid_rotation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_sample_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_sample_particles/test_sample_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_spacing.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_surface/test_geo_score.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_surface/test_pad.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_surface_sample_particles.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_surface_sample_protein.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_transform.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/test_volumes_and_images.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_em_standards.py >/scratch/nightly-build-21548/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 79.637s ... ok
test that the create map is reasonable ... ok
test that the correlation at intervals functionality works ... in 90.895s ... ok
test that two maps that sample the same particles have cc score of 1 ... in 19.712s ... ok
test that padding option does not affect the CC score ... in 13.386s ... ok
test that translating either the map or the particles does not change the cc score ... in 19.765s ... ok
test that the simple fast ccc function works ... in 13.230s ... ok
Test that correlation and decomposed correlation return the same score ... in 5.446s ... ok
Test that the full and decomposed fit restraint return the same score ... in 13.022s ... ok
Test that the normalization factor is a constant ... in 22.517s ... 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 3.100s ... ok
test_get_molecular_mass_at_threshold (_test_8.DensityMapVolumetricsTest) ... ok
Test calculated derivatives for a distorted model's map ... in 2.699s ... ok
Test if the derivatives can pull the particles back into the density ... in 2.520s ... ok
Testing FitRestraint derivative magnitudes ... in 45.129s ... 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 48.419s ... ok
test_penetration (_test_11.EnvelopePenetrationRestraintTest) ... in 48.274s ... ok
Check that the local rigid fitting grid search works ... in 22.320s ... ok
Test that multiple rigid bodies are correctly pulled into the density ... in 34.217s ... ok
Check get_density ... in 33.803s ... 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 91.483s ... ok
Check memory management of DensityHeader ... in 10.351s ... ok
test_header_values (_test_17.HeaderTest) ... in 10.241s ... ok
test em format read/write ... in 10.314s ... ok
test mrc format read/write ... in 10.280s ... 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 131.708s ... ok
test correct I/O of EM header ... ok
Check refcounting of IMP.em.DensityMap objects read from files ... in 4.116s ... ok
Check resampling of maps ... in 173.202s ... ok
test resampling with and without rigid bodies ... in 251.656s ... ok
test_compute_fitting_scores (_test_26.RigidBodyCorrelationByGridRotation) ... in 101.293s ... ok
Check that CC score does not change after grid and protein rotation ... in 1.934s ... ok
Check that CC score does not change after grid and protein rotation ... in 2.077s ... ok
Check that sampling particles works ... in 5.324s ... ok
test that the sampling works ... ok
Check that the correct spacing gets the highest CC ... in 6.105s ... ok
Check bad geometric complementarity score ... in 1.658s ... ok
Check good geometric complementarity score ... in 1.648s ... ok
Test map padding ... in 30.966s ... ok
Check that surface sampling works ... ok
Check that protein surface sampling works ... ok
Check transforming a density map ... in 55.218s ... ok
Check functionality of the get_transformed_into function ... ok
Check volume reading and writing ... in 3.430s ... 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 1424.635s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CA of residue 135
GLY
ASN
Atom CA of residue 238
Atom CA of residue 82
ASP
GLU
Atom CA of residue 187
Atom CA of residue 549
LYS
Atom CB of residue 107
Atom O of residue 106
Atom N of residue 124
Atom CA of residue 2641
Atom CA of residue 500
Atom SD of residue 39
Atom CA of residue 72
Atom CA of residue 440
Atom CG of residue 10
Atom CA of residue 39
Atom CD1 of residue 116
GLU
Atom CA of residue 564
Atom O of residue 511
Atom CA of residue 568
Atom CA of residue 23
Atom CA of residue 3
Atom OD2 of residue 465
PRO
ARG
1z5s_C_wrong.pdb
PRO
VAL
PHE
Atom CA of residue 130
Atom CG of residue 151
Atom C of residue 577
LEU
Atom CG of residue 97
Atom CA of residue 524
Atom CA of residue 273
VAL
GLY
LYS
Atom CB of residue 480
Atom CA of residue 443
THR
Atom CA of residue 2682
LEU
VAL
LEU
MET
TYR
P1
VAL
THR
TYR
LEU
Atom O of residue 10
input1.pdb
Atom CD1 of residue 456
Atom CG of residue 52
GLU
LEU
Atom C of residue 10
HIS
Atom CG of residue 16
Atom CA of residue 90
Atom C of residue 64
SER
Atom CA of residue 30
Atom CA of residue 100
Atom C of residue 549
TYR
Atom CA of residue 25
LEU
THR
Atom CB of residue 511
ASP
Atom N of residue 96
Atom CA of residue 247
ALA
Atom CA of residue 84
Atom N of residue 117
ALA
Atom CA of residue 524
THR
SER
Atom CA of residue 453
Atom CB of residue 106
THR
Atom CA of residue 582
Atom CA of residue 40
ASN
Atom C of residue 4
Atom CA of residue 236
ASN
Atom CD of residue 151
Atom CA of residue 2
Atom O of residue 488
LYS
Atom CA of residue 537
Atom CE of residue 39
Atom O of residue 62
Fit restraint internal rb map
VAL
Atom CA of residue 74
Atom CA of residue 274
THR
Atom CA of residue 55
Atom O of residue 577
LEU
Atom CA of residue 105
Atom CA of residue 56
Atom C of residue 13
LEU
Atom CG1 of residue 107
Atom CA of residue 80
Atom CA of residue 149
Atom CA of residue 144
Atom CA of residue 439
GLY
Atom CA of residue 189
PHE
Atom CA of residue 106
Atom CA of residue 136
PRO
Atom CA of residue 2642
Atom CD1 of residue 97
Atom N of residue 466
LYS
ASP
GLU
Atom C of residue 9
Atom CA of residue 121
Atom CA of residue 486
Atom N of residue 457
Atom N of residue 2
Atom CA of residue 513
Atom CD of residue 52
Atom CD1 of residue 4
GLU
Atom N of residue 44
LYS
Atom CG of residue 480
GLU
GLY
VAL
Atom CA of residue 37
ALA
Atom CA of residue 572
Atom O of residue 549
GLN
THR
Atom CA of residue 514
Atom CA of residue 148
Atom OE1 of residue 151
Atom CA of residue 2642
SampledDensityMap85
MET
Atom CA of residue 501
Atom CA of residue 565
Atom CA of residue 569
Atom CA of residue 239
VAL
Atom CA of residue 45
Atom CA of residue 75
Atom CZ of residue 103
THR
Atom CA of residue 97
Atom CD1 of residue 16
SER
Atom N of residue 4
SampledDensityMap62
Atom CA of residue 275
Atom CG2 of residue 107
THR
ARG
Atom C of residue 144
Atom CB of residue 488
CYS
Atom CA of residue 525
Atom C of residue 36
Atom CA of residue 31
Atom CA of residue 67
Atom O of residue 9
Atom N of residue 40
Atom O of residue 64
SER
ALA
PRO
Atom C of residue 537
LYS
GLU
PRO
MET
GLU
Atom C of residue 513
Atom CA of residue 444
Atom C of residue 56
Atom OG1 of residue 511
Atom CB of residue 7
Atom CA of residue 2683
ALA
Atom CD2 of residue 456
CYS
Atom CA of residue 124
Atom CG of residue 106
Atom CD1 of residue 480
VAL
ASN
ARG
Atom CA of residue 101
CYS
THR
ASP
Atom CA of residue 91
CYS
Atom CA of residue 68
GLN
Atom CA of residue 25
Atom CA of residue 525
Atom CB of residue 577
ASN
Atom O of residue 6
Atom CA of residue 56
ALA
Atom CD1 of residue 135
Atom CA of residue 85
Atom C of residue 97
Atom CB of residue 549
Atom CA of residue 52
Atom CD2 of residue 16
Atom CD2 of residue 97
Atom NE2 of residue 151
Atom C of residue 2
LYS
ALA
Atom CA of residue 44
SER
Atom CA of residue 46
Atom CA of residue 583
HIS
Atom O of residue 513
Atom CB of residue 64
Atom CA of residue 276
Atom CA of residue 237
LYS
Atom CG of residue 6
SER
Atom CA of residue 135
Atom CA of residue 122
Atom CA of residue 150
Atom O of residue 144
Atom CG of residue 488
Atom CA of residue 76
Atom CA of residue 21
MET
Atom CA of residue 190
Atom C of residue 124
ASN
Atom N of residue 53
Atom CA of residue 107
Atom O of residue 537
ASN
Atom NH1 of residue 103
Atom CA of residue 102
Atom CA of residue 106
mol2 rigid body
Atom O of residue 56
Atom CA of residue 466
Atom CG2 of residue 511
Atom CA of residue 277
VAL
Atom CA of residue 117
Atom CA of residue 41
Atom CA of residue 457
GLU
Atom O of residue 65
Atom CD2 of residue 480
VAL
Atom CA of residue 152
Atom CA of residue 2643
VAL
Atom CA of residue 66
Atom OG1 of residue 44
Atom CA of residue 53
Atom O of residue 36
Atom CA of residue 515
Atom N of residue 432
SER
Atom CG of residue 577
Atom CA of residue 487
Atom CA of residue 24
ASP
Atom C of residue 95
Atom CA of residue 76
Atom CG of residue 64
Atom O of residue 97
Atom ND1 of residue 106
Atom N of residue 5
CYS
Atom CA of residue 240
Fit restraint
TYR
GLY
THR
THR
Atom CA of residue 502
Atom CA of residue 584
ASP
LYS
ALA
SER
Atom CA of residue 152
Atom CA of residue 2643
Atom CA of residue 72
Atom CA of residue 512
Atom N of residue 108
Atom CA of residue 191
ALA
Atom CB of residue 39
TRP
PHE
Atom NH2 of residue 103
Atom CA of residue 566
Atom CA of residue 570
Atom CA of residue 32
python stream rigid body rigid body positions
ALA
ASP
GLN
TYR
Atom C of residue 466
ILE
LEU
Atom CB of residue 65
Atom C of residue 117
LEU
Atom CB of residue 144
Atom CE1 of residue 16
Atom CA of residue 526
Atom C of residue 6
Atom O of residue 124
Atom CA of residue 445
Atom N of residue 98
GLY
Atom N of residue 538
GLU
Atom CG of residue 6
Atom CB of residue 36
Atom CA of residue 57
ARG
Atom CB of residue 56
THR
Atom CA of residue 136
ARG
Atom CE1 of residue 480
HIS
ASN
Atom CB of residue 513
Atom CA of residue 2684
GLY
Atom CG of residue 549
Atom CA of residue 153
GLU
Atom CA of residue 18
Atom CA of residue 278
Atom CA of residue 86
MET
THR
Atom CA of residue 53
Atom CB of residue 97
Atom CA of residue 575
Atom CA of residue 526
PRO
VAL
LEU
SER
Atom C of residue 134
Atom CA of residue 52
Atom CA of residue 238
Atom CA of residue 42
Atom CA of residue 92
Atom O of residue 466
Atom OG1 of residue 65
Atom CG2 of residue 44
Atom C of residue 18
Atom N of residue 3
Atom CA of residue 22
GLU
Atom CD2 of residue 106
Atom CA of residue 412
Atom CA of residue 123
Atom CD of residue 577
Atom SD of residue 488
GLU
GLU
Atom CA of residue 30
Atom SD of residue 64
Atom C of residue 456
Atom CG of residue 36
Atom CA of residue 107
Atom CA of residue 538
GLY
Atom CB of residue 124
ALA
LYS
Atom CA of residue 108
LEU
LEU
Atom N of residue 152
Atom CA of residue 2644
Atom CG of residue 39
Atom C of residue 512
LYS
Atom N of residue 104
ALA
Atom OD1 of residue 549
ALA
Atom CE2 of residue 16
Envelope penetration restraint
Atom CA of residue 488
Atom CA of residue 108
Atom O of residue 508
ILE
Atom C of residue 53
ILE
Atom N of residue 5
Atom C of residue 52
GLN
GLU
Atom CG of residue 513
Atom CB of residue 466
PRO
Atom CA of residue 67
ASP
THR
ARG
Atom CA of residue 188
Atom CA of residue 516
Atom CA of residue 2644
LEU
ILE
Atom CA of residue 413
Atom CE of residue 488
Atom CA of residue 22
MET
Atom CA of residue 567
Atom CA of residue 571
Atom N of residue 45
Atom CA of residue 33
Atom CA of residue 241
Atom CA of residue 577
Atom CA of residue 13
Atom CA of residue 527
Atom CG of residue 144
MET
TRP
PHE
THR
ILE
ALA
Atom CG1 of residue 56
Atom CE of residue 64
Atom O of residue 512
PRO
VAL
Atom CA of residue 446
Atom CA of residue 503
Atom C of residue 5
Atom CA of residue 98
Atom O of residue 456
Atom CA of residue 2685
PHE
Atom CA of residue 47
Atom OD2 of residue 549
Atom CA of residue 154
Atom N of residue 66
Atom C of residue 108
GLN
Atom CG of residue 124
Atom CA of residue 240
Atom CA of residue 58
Atom CD1 of residue 513
GLY
LEU
MET
Atom CA of residue 35
Atom CE1 of residue 106
Atom CB of residue 570
Atom CB of residue 508
Atom CA of residue 93
LEU
Atom CA of residue 574
Atom CZ of residue 16
Atom SD of residue 36
Atom CB of residue 4
Atom N of residue 489
ALA
Atom O of residue 53
TRP
GLU
Atom O of residue 52
Atom CA of residue 527
Atom CA of residue 87
Atom CA of residue 45
ILE
GLN
Atom CA of residue 585
Atom CA of residue 43
Atom CA of residue 4
Atom C of residue 10
Atom CG of residue 97
Atom CA of residue 23
ASN
Atom CB of residue 512
GLU
Atom CA of residue 34
LYS
Atom CD1 of residue 144
Atom CA of residue 239
GLN
Atom CA of residue 73
Atom CA of residue 31
Atom CA of residue 65
Atom CE2 of residue 480
Atom CA of residue 124
VAL
Atom C of residue 98
ASP
SER
Atom N of residue 550
Atom CG2 of residue 65
GLN
Atom C of residue 77
Atom CB of residue 456
Atom CA of residue 109
VAL
Atom O of residue 2
Atom CA of residue 104
Atom CG of residue 466
ASN
Atom CA of residue 108
Atom OD1 of residue 124
Atom CA of residue 31
Atom OH of residue 16
Atom CD of residue 149
Atom O of residue 108
ARG
Atom CA of residue 21
ALA
ALA
ASP
ILE
Atom NE2 of residue 106
Chain A
Atom CA of residue 54
Atom C of residue 538
Atom CB of residue 52
Atom CA of residue 2645
Atom CB of residue 5
SER
GLU
Atom CG2 of residue 56
MET
Atom CD1 of residue 97
Atom CA of residue 517
Atom C of residue 44
ASP
Atom CA of residue 489
Atom CE of residue 36
Atom CD2 of residue 144
Atom CA of residue 586
Atom CB of residue 53
HIS
Atom N of residue 65
Atom CZ of residue 480
Atom CA of residue 242
LEU
Atom CA of residue 504
Atom CB of residue 4
Atom O of residue 98
LYS
HIS
Atom CA of residue 573
Atom C of residue 152
Atom CA of residue 67
Atom CA of residue 142
ALA
Atom CA of residue 2645
HIS
ALA
Atom CA of residue 568
Atom CA of residue 572
Atom CA of residue 241
SER
GLU
Atom CD2 of residue 513
Atom C of residue 104
Atom CG of residue 512
Atom N of residue 107
THR
MapReaderWriter3
ILE
Atom CA of residue 66
Atom CA of residue 48
Atom CA of residue 489
Atom CA of residue 528
Atom CA of residue 2686
Atom CA of residue 96
Atom CG1 of residue 5
Atom CG of residue 456
Atom CD2 of residue 97
ALA
LYS
Atom CA of residue 3
TYR
Atom O of residue 10
ALA
Atom CA of residue 59
CYS
Atom ND2 of residue 124
ALA
Atom CA of residue 37
Atom CB of residue 108
VAL
Atom O of residue 538
Atom CA of residue 94
Atom CB of residue 98
Atom N of residue 509
MET
Atom N of residue 57
LEU
Atom N of residue 481
Atom CG of residue 52
Atom CA of residue 447
TRP
Atom CA of residue 88
Atom O of residue 44
Atom CD of residue 466
Atom CG of residue 81
Atom CA of residue 36
ASN
TYR
Atom CE1 of residue 144
Atom N of residue 17
Atom NE of residue 149
PRO
Atom CD2 of residue 4
Atom CA of residue 32
Atom CA of residue 528
SER
THR
SER
Atom CA of residue 240
ALA
Atom N of residue 514
Atom O of residue 104
VAL
Atom CA of residue 44
Atom CA of residue 414
GLU
Atom CA of residue 125
Atom CA of residue 24
LYS
VAL
normalize rigid bodies
Writer to slow_temp_000.pdb
Atom CB of residue 10
Atom CA of residue 41
Atom CA of residue 143
Atom CA of residue 109
LEU
Atom N of residue 37
TYR
LEU
Atom C of residue 489
Atom CA of residue 17
LEU
ALA
Atom CA of residue 110
PRO
Atom N of residue 98
LYS
LEU
Atom CA of residue 151
GLY
Atom CA of residue 44
ASP
Atom CZ of residue 149
Atom CZ of residue 87
Atom N of residue 125
Atom CA of residue 2662
Atom CA of residue 490
Atom CA of residue 584
Atom CA of residue 550
Atom CB of residue 538
GLU
Atom CB of residue 104
Atom CA of residue 13
Atom CA of residue 89
SER
LYS
Atom CG of residue 53
Atom CA of residue 45
VAL
Atom CA of residue 55
GLN
Atom N of residue 512
LEU
Atom CA of residue 518
PRO
Atom CB of residue 44
ARG
Atom CA of residue 33
Atom CA of residue 505
LEU
PHE
Atom C of residue 75
Atom CA of residue 569
Atom CG of residue 10
Atom CA of residue 573
Atom CA of residue 243
GLN
Atom N of residue 467
Atom CD of residue 52
Atom OH of residue 87
Atom CA of residue 360
ASN
ILE
Atom CA of residue 19
Atom CA of residue 529
Atom CA of residue 107
Atom CA of residue 97
Atom CA of residue 27
GLU
Atom CD1 of residue 81
LYS
TRP
ILE
Atom CA of residue 481
Atom CA of residue 2689
GLN
Atom CE of residue 146
Atom CA of residue 448
Chain D
Atom CG of residue 98
Atom CA of residue 2687
Atom CA of residue 2648
Atom CA of residue 570
GLU
ALA
Atom CD1 of residue 4
THR
LEU
Atom CA of residue 447
Atom CA of residue 14
Atom C of residue 550
Atom CA of residue 242
Atom CA of residue 60
GLU
Atom O of residue 489
Atom CG of residue 108
Atom CA of residue 125
ALA
Atom CA of residue 7
Atom CD1 of residue 53
VAL
GLU
VAL
Atom CA of residue 95
VAL
TRP
Atom CA of residue 57
Atom C of residue 65
PHE
VAL
Atom C of residue 116
ARG
Atom CA of residue 37
GLU
ARG
Atom CE2 of residue 144
Atom CA of residue 529
LEU
Atom NH1 of residue 149
Atom CA of residue 45
Atom CA of residue 2648
Atom CG2 of residue 91
Atom CA of residue 14
Atom C of residue 37
Atom CA of residue 415
ARG
Atom CA of residue 516
Atom CA of residue 241
GLN
ALA
CYS
PHE
TYR
Atom O of residue 75
ILE
Atom C of residue 57
SER
Atom CA of residue 44
GLY
VAL
Atom C of residue 66
ILE
Atom CB of residue 23
Atom N of residue 53
Atom CG of residue 4
Atom SD of residue 108
Atom CD2 of residue 53
Atom CA of residue 111
Atom CA of residue 98
Atom C of residue 481
PRO
ILE
ARG
Atom CG of residue 104
LYS
Atom CA of residue 448
Atom CA of residue 36
ALA
Atom SD of residue 10
Atom CA of residue 110
Atom CA of residue 126
Atom CA of residue 25
ILE
Atom CA of residue 585
Atom O of residue 550
Atom CG of residue 538
Atom CD2 of residue 81
ASP
THR
Atom CZ of residue 144
Atom N of residue 76
LEU
Atom CB of residue 489
Atom CA of residue 514
Atom C of residue 107
Atom C of residue 24
Atom CA of residue 56
THR
Atom CA of residue 49
Atom CD of residue 98
Atom N of residue 36
Atom CA of residue 300
Atom CA of residue 519
ILE
Atom CA of residue 52
VAL
Atom CA of residue 491
Atom CA of residue 11
Atom CA of residue 46
Atom CA of residue 35
Atom CB of residue 8
LYS
ALA
Atom CA of residue 506
Atom O of residue 57
Atom CA of residue 67
Atom CA of residue 244
LEU
ALA
Atom CA of residue 467
LEU
ARG
ALA
Atom C of residue 514
Atom CE of residue 108
Atom CA of residue 361
Atom NE1 of residue 53
Atom CA of residue 2690
SER
GLU
Atom CA of residue 453
LYS
Atom CA of residue 570
Atom CA of residue 574
TRP
LYS
GLN
Atom CA of residue 2688
Atom CD of residue 538
Atom CA of residue 2649
CoarseCC9
Atom CA of residue 12
Atom CA of residue 530
Atom CA of residue 98
Atom O of residue 24
VAL
Atom OH of residue 144
LYS
Atom CG of residue 119
Atom O of residue 481
Atom CA of residue 243
ASP
Atom N of residue 92
GLN
Atom CE of residue 10
Atom CA of residue 301
Atom CA of residue 96
GLN
GLU
VAL
VAL
Atom CB of residue 550
VAL
Atom CA of residue 47
Atom CA of residue 2630
Atom CA of residue 68
Atom C of residue 467
Atom O of residue 37
ILE
Atom O of residue 66
Atom C of residue 98
HIS
SER
ARG
Atom CD1 of residue 104
Fit restraint
Atom CA of residue 417
Atom C of residue 125
GLY
Atom CA of residue 61
Atom CA of residue 2649
Atom O of residue 514
python stream
ILE
Atom N of residue 82
TYR
Atom CA of residue 242
Atom CA of residue 530
LYS
Atom N of residue 490
Atom OE1 of residue 98
LEU
SER
SER
Atom OG1 of residue 8
Atom CA of residue 127
Atom CA of residue 46
PRO
Atom O of residue 107
LEU
Atom CB of residue 24
TYR
GLU
LYS
VAL
Atom N of residue 109
PHE
Atom CD2 of residue 77
Atom CD1 of residue 119
ALA
Atom CA of residue 223
ALA
ASP
Atom CA of residue 26
Atom C of residue 36
Atom CA of residue 11
Atom CA of residue 111
ARG
Atom N of residue 539
Atom CA of residue 53
LYS
Atom N of residue 145
Atom CA of residue 449
GLU
Atom CB of residue 57
Atom O of residue 467
Atom CA of residue 112
Atom CB of residue 66
Atom CB of residue 481
GLU
MET
SER
Atom CB of residue 514
ASP
Atom CB of residue 107
Atom CA of residue 445
VAL
PHE
Atom CB of residue 37
Atom CA of residue 418
THR
Atom C of residue 150
Atom CA of residue 2631
Atom OE2 of residue 98
Atom CA of residue 492
Atom CA of residue 110
Atom CA of residue 53
ASP
LYS
Atom O of residue 98
Atom O of residue 125
Atom CA of residue 586
Atom CA of residue 57
Atom CA of residue 22
Atom NZ of residue 76
Atom OG1 of residue 24
Atom CA of residue 90
LYS
Atom CA of residue 507
Atom CA of residue 36
Atom CA of residue 70
LEU
Atom CA of residue 520
THR
Atom CA of residue 287
Atom CA of residue 62
VAL
VAL
Atom CD2 of residue 104
Atom CA of residue 571
Atom CA of residue 575
Atom CA of residue 245
Atom CA of residue 24
Atom CA of residue 37
Atom N of residue 11
Atom CA of residue 362
GLN
PRO
TYR
GLY
Atom CB of residue 467
Atom NE of residue 33
GLU
Atom CB of residue 6
Atom C of residue 53
ARG
Atom CA of residue 531
Atom CA of residue 99
GLU
LEU
LEU
Atom CA of residue 587
Atom CD2 of residue 119
ILE
Atom CG of residue 66
Atom CA of residue 2691
ARG
Atom CE1 of residue 77
MET
Atom CE2 of residue 53
Atom CG1 of residue 107
Atom O of residue 36
Atom CA of residue 473
Atom CA of residue 244
Atom CA of residue 62
Atom C of residue 99
LEU
PRO
Atom CA of residue 7
Atom CA of residue 34
Atom CG of residue 550
Atom CA of residue 145
Atom N of residue 58
SER
VAL
ALA
Chain A
Atom CA of residue 2662
Atom O of residue 150
ASP
ASP
LYS
Atom CA of residue 2689
MET
LEU
Atom CA of residue 48
Atom NE1 of residue 104
Atom O of residue 31
Atom CA of residue 82
GLY
Atom CA of residue 224
Atom CA of residue 295
Atom CA of residue 531
Atom CA of residue 490
Atom CB of residue 98
Atom CG of residue 481
Atom CB of residue 125
HIS
ALA
LEU
LYS
TYR
Atom CG2 of residue 24
Atom CA of residue 243
Atom CA of residue 47
Atom CA of residue 97
PHE
Atom CA of residue 131
Atom CZ of residue 33
Atom CA of residue 35
Atom CA of residue 7
GLU
PHE
PHE
Atom CA of residue 128
Atom CA of residue 450
Atom CA of residue 112
ASP
Atom O of residue 99
Atom CA of residue 27
Atom CE3 of residue 53
Atom CG of residue 37
GLU
Atom CA of residue 38
THR
ALA
GLY
LYS
Atom CA of residue 419
PHE
Atom O of residue 53
Atom CD1 of residue 550
ARG
Atom CA of residue 93
Atom CB of residue 36
Atom CA of residue 113
TYR
Atom CA of residue 109
ALA
Atom CA of residue 92
ALA
Atom CB of residue 31
SER
Atom CA of residue 16
LEU
Atom OG1 of residue 514
python stream
GLN
Atom CA of residue 2647
Atom C of residue 82
Atom N of residue 120
Atom CA of residue 539
GLY
Atom CD of residue 481
Atom CA of residue 58
Atom C of residue 11
Atom CA of residue 302
Atom CD of residue 66
LYS
Atom CG1 of residue 23
GLU
Atom CG of residue 467
Atom CG2 of residue 107
ILE
Atom CA of residue 521
Atom CA of residue 111
ALA
MET
Atom CA of residue 493
Atom CA of residue 587
Atom N of residue 13
GLY
python stream
ALA
mol2
LEU
Atom C of residue 490
Atom CG of residue 98
Atom CG2 of residue 125
Atom CA of residue 246
SER
Atom CA of residue 474
Atom CA of residue 91
Atom CB of residue 75
ALA
Atom NH2 of residue 149
Atom CB of residue 99
Atom CA of residue 363
ILE
Atom CA of residue 39
Atom CD2 of residue 550
PHE
PRO
Atom C of residue 109
GLU
Atom CA of residue 2692
Atom C of residue 92
Atom CA of residue 572
Atom CA of residue 27
Atom CA of residue 576
PHE
Atom CA of residue 508
Atom CA of residue 25
Atom CA of residue 132
Atom CA of residue 2690
ASP
LEU
Atom CA of residue 2629
Atom CA of residue 532
Atom O of residue 82
Atom CA of residue 289
Atom CA of residue 100
LYS
Atom CA of residue 63
Atom N of residue 32
Atom NE of residue 147
Atom OD1 of residue 37
Atom CG of residue 53
Atom CA of residue 2647
Atom CG2 of residue 514
GLU
Atom CG2 of residue 23
Atom CA of residue 432
VAL
Atom CA of residue 432
SER
ARG
Atom CA of residue 37
Atom CA of residue 29
Atom CE2 of residue 104
SampledDensityMap23
Atom C of residue 539
SER
GLY
Atom CE of residue 481
Atom CG1 of residue 125
LEU
Atom CA of residue 451
Atom N of residue 67
Atom CA of residue 476
ARG
LEU
THR
Atom CA of residue 225
Atom CA of residue 296
ARG
Atom CA of residue 14
Atom N of residue 108
LEU
Atom CA of residue 108
Atom N of residue 150
Atom CD of residue 98
Atom NH1 of residue 33
THR
Atom CE1 of residue 550
Atom CA of residue 244
ALA
Atom CE2 of residue 77
Atom CA of residue 3
Atom CA of residue 532
Atom O of residue 490
VAL
Atom O of residue 92
SER
SER
Atom CZ2 of residue 53
ALA
Atom CA of residue 45
Atom CA of residue 129
Atom CB of residue 82
Atom CA of residue 48
LEU
GLY
Atom CA of residue 58
Atom CD of residue 467
ILE
TYR
Atom SG of residue 75
ALA
VAL
Atom O of residue 109
Atom CA of residue 416
Atom N of residue 24
Atom CG of residue 99
LEU
Atom CA of residue 288
Atom CG of residue 36
Atom O of residue 11
VAL
TYR
Atom O of residue 13
LEU
Atom CE3 of residue 104
Atom CA of residue 12
Atom CA of residue 446
LEU
Atom CA of residue 443
ALA
Atom CA of residue 94
Atom CA of residue 114
Atom CA of residue 303
Atom CA of residue 67
VAL
GLN
Chain C
Atom C of residue 58
Atom N of residue 515
Atom CZ of residue 77
Atom CA of residue 35
Atom CA of residue 108
LYS
DensityMap1062
Chain A
Atom NH2 of residue 33
mol1 rigid body rigid body positions
SER
Atom CA of residue 114
Atom O of residue 539
Atom C of residue 31
Atom CD1 of residue 53
ILE
Atom CA of residue 496
Atom CZ3 of residue 53
Atom NZ of residue 481
Atom CA of residue 59
PRO
Atom CA of residue 509
Atom CA of residue 30
Atom ND2 of residue 37
Atom CA of residue 29
Atom CA of residue 92
GLU
Atom CA of residue 120
Atom CA of residue 522
Model 28
Atom OE1 of residue 98
Atom CA of residue 375
THR
LYS
ALA
Atom CA of residue 24
Atom CA of residue 517
Atom CB of residue 490
Atom CA of residue 573
Atom CA of residue 364
Atom CA of residue 577
Atom CA of residue 247
Atom CA of residue 17
VAL
GLY
VAL
Atom CA of residue 20
Atom CA of residue 150
GLU
Atom CD of residue 36
ILE
Atom CB of residue 92
Atom CA of residue 533
Atom CA of residue 2691
ILE
Atom CA of residue 101
Atom N of residue 148
PRO
ILE
LEU
SER
Atom CB of residue 109
Atom CA of residue 2693
Atom CD1 of residue 125
Atom OE1 of residue 467
Atom CB of residue 11
VAL
THR
Atom CA of residue 64
ALA
Atom O of residue 58
ASP
Atom N of residue 78
Atom CA of residue 47
Atom CA of residue 515
Atom CH2 of residue 53
Atom CZ2 of residue 104
Atom CA of residue 374
Atom CA of residue 70
Atom CB of residue 53
Atom CA of residue 461
ASP
Atom C of residue 571
Atom CA of residue 7
Atom CA of residue 477
Atom CA of residue 94
ARG
Atom CA of residue 43
Atom CA of residue 31
LEU
SampledDensityMap83
Atom CA of residue 452
Atom CG of residue 82
ConjugateGradients
Atom N of residue 34
Atom CA of residue 226
Atom CA of residue 297
LEU
Atom CA of residue 24
MET
Atom CB of residue 539
Atom CA of residue 533
Atom CG2 of residue 490
GLU
Atom OE1 of residue 36
Atom CA of residue 482
PHE
Atom CA of residue 245
PRO
SER
Atom CG1 of residue 92
Atom CA of residue 42
Atom OE1 of residue 9
GLY
Atom CA of residue 23
Atom CA of residue 130
Atom CE1 of residue 77
CYS
ARG
Atom OE2 of residue 98
MET
Atom CA of residue 519
Atom CB of residue 58
ARG
SER
Atom CE2 of residue 550
Atom CA of residue 9
ASP
Atom C of residue 120
Atom C of residue 67
Atom CA of residue 444
ALA
Atom N of residue 38
LEU
THR
Atom CA of residue 36
SER
Atom CZ3 of residue 104
THR
Atom CA of residue 290
THR
LEU
Atom CA of residue 95
Atom CA of residue 115
Atom CG2 of residue 15
Atom CA of residue 518
ASP
Atom CA of residue 304
SER
MET
Atom CA of residue 51
GLU
Atom C of residue 108
LYS
Atom CA of residue 54
LEU
ARG
SER
Atom CA of residue 99
Atom CA of residue 60
ASP
LYS
Atom CA of residue 442
GLN
GLU
Atom CA of residue 462
Atom CA of residue 523
python stream rigid body
ALA
Atom CA of residue 510
Atom NZ of residue 146
Atom CD1 of residue 15
ALA
SER
Atom CA of residue 497
Atom CG of residue 11
LEU
PHE
Atom CA of residue 26
Atom CZ of residue 550
Atom NE2 of residue 36
Atom N of residue 126
Atom CG1 of residue 490
Atom CA of residue 71
Atom OE2 of residue 9
Atom CA of residue 520
Atom CA of residue 365
Atom CA of residue 113
LYS
ARG
SER
Atom OE2 of residue 467
Atom O of residue 120
Atom CD1 of residue 82
Atom N of residue 54
Atom CG of residue 539
Atom CD2 of residue 53
Atom CA of residue 574
Atom CA of residue 2692
ILE
Atom CA of residue 578
Atom O of residue 67
Atom OG of residue 109
Atom N of residue 482
GLU
Atom CA of residue 78
SER
Atom N of residue 16
Atom CA of residue 30
LYS
Atom CA of residue 95
Atom CE2 of residue 77
ASN
Atom CG2 of residue 92
Atom CA of residue 37
Atom CA of residue 116
Atom CA of residue 266
LEU
Atom CA of residue 65
Atom CA of residue 534
Atom CA of residue 102
Atom CA of residue 22
Atom CA of residue 51
SER
ILE
ASP
Atom CA of residue 478
Atom CA of residue 494
ASN
ARG
Atom CA of residue 15
HIS
LEU
Atom CA of residue 43
Atom OH of residue 550
THR
Atom CH2 of residue 104
Atom N of residue 37
LEU
Atom CA of residue 34
Atom CA of residue 227
Atom NE1 of residue 53
Atom CA of residue 298
Atom CA of residue 2662
Atom OG of residue 58
GLN
Atom CA of residue 5
Atom CA of residue 246
Atom CB of residue 571
CYS
LEU
GLU
GLY
Atom C of residue 78
Atom CA of residue 463
Atom C of residue 147
Atom CD1 of residue 539
Atom CB of residue 62
Atom CA of residue 534
GLU
SER
HIS
Atom N of residue 110
ASP
Atom CA of residue 16
Atom CA of residue 38
Atom CA of residue 378
GLU
ALA
Atom CA of residue 69
Atom O of residue 108
MET
Atom CA of residue 445
Atom CA of residue 27
ALA
ASN
Atom CD1 of residue 11
Atom CB of residue 120
ARG
Atom CA of residue 31
Atom CA of residue 476
Atom CA of residue 31
SER
Atom CA of residue 50
Atom O of residue 146
GLY
Atom CA of residue 305
Atom CB of residue 67
SER
Atom CA of residue 12
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 291
Atom CA of residue 443
Atom CZ of residue 77
Atom N of residue 93
Atom N of residue 468
Atom CD2 of residue 82
Atom C of residue 34
Atom C of residue 5
Atom N of residue 491
Atom N of residue 99
Atom CA of residue 96
Atom N of residue 105
Atom O of residue 78
ARG
ARG
Atom CA of residue 126
LYS
Atom CA of residue 376
TYR
LYS
Atom CA of residue 28
Atom C of residue 515
THR
Atom CA of residue 44
ALA
ALA
Atom CA of residue 20
Atom N of residue 551
ASN
Atom CA of residue 511
LEU
Atom N of residue 99
ASP
Atom C of residue 482
Atom CA of residue 61
Atom CA of residue 49
Atom C of residue 38
LYS
Atom CA of residue 7
Atom CA of residue 524
THR
Atom CA of residue 19
Atom CA of residue 366
VAL
Atom CD2 of residue 539
PRO
LYS
Atom CA of residue 575
Atom N of residue 62
GLN
Atom CA of residue 579
Atom CB of residue 108
Atom CA of residue 13
ARG
Atom CA of residue 96
Atom N of residue 78
Atom N of residue 59
Atom CA of residue 93
Atom CE1 of residue 82
Atom CA of residue 2693
Atom CA of residue 267
Atom CA of residue 535
GLU
Atom CA of residue 103
Atom O of residue 34
ALA
LYS
ALA
VAL
LYS
Atom OG1 of residue 67
Atom CA of residue 479
Atom C of residue 126
Atom O of residue 5
ILE
LYS
PRO
Atom O of residue 515
ALA
Atom CA of residue 38
LEU
MET
Atom CA of residue 48
GLN
Atom CA of residue 49
Atom CG of residue 120
Atom C of residue 54
GLY
Atom CD2 of residue 11
Atom CA of residue 110
Atom CA of residue 32
SER
Atom O of residue 38
VAL
Atom C of residue 7
LYS
Atom CA of residue 66
Atom CA of residue 299
GLY
Atom CA of residue 495
Atom CA of residue 17
Atom CA of residue 2
Atom CA of residue 2647
Atom CA of residue 477
PHE
Atom CA of residue 247
Atom CA of residue 535
ALA
Atom CA of residue 468
Atom O of residue 482
Atom CA of residue 228
Atom C of residue 33
GLU
SER
THR
Atom CB of residue 34
ALA
Atom N of residue 7
Atom CE2 of residue 53
CYS
Atom C of residue 16
PHE
AccumulateRigidBodyDerivatives13
Atom CA of residue 99
CoarseCC8
ALA
Atom N of residue 540
Atom CA of residue 446
ASP
Atom CB of residue 515
Atom CA of residue 306
ARG
LEU
ALA
VAL
Atom CA of residue 28
Atom CB of residue 78
Atom O of residue 49
GLN
Atom CB of residue 38
Atom CA of residue 444
Atom CA of residue 97
Atom CA of residue 580
Atom CA of residue 292
Atom CG2 of residue 67
LeavesRefiner0
Atom CA of residue 16
PRO
Atom O of residue 7
Atom CA of residue 456
Atom O of residue 126
PRO
Atom CA of residue 45
Atom CA of residue 481
GLY
Atom CA of residue 78
Atom CA of residue 521
LEU
GLU
Atom CZ of residue 147
Atom CD1 of residue 120
Atom CA of residue 117
Atom CA of residue 379
SER
Atom CA of residue 551
ASP
Atom C of residue 468
Atom CA of residue 38
Atom CG of residue 108
GLU
Atom CA of residue 62
Atom CA of residue 37
ASN
Atom O of residue 33
Atom CA of residue 512
Atom C of residue 93
SER
Atom CA of residue 525
Atom CA of residue 9
ALA
Atom CE3 of residue 53
LEU
Atom C of residue 99
TRP
SER
Atom CG of residue 515
Atom CE1 of residue 11
LEU
ASN
Atom CB of residue 482
Atom CB of residue 49
Atom CA of residue 367
GLY
Atom CA of residue 50
Atom CA of residue 491
Atom CA of residue 105
Atom CE2 of residue 82
Atom CB of residue 7
LEU
LYS
PHE
Atom CA of residue 540
LEU
Atom CA of residue 576
Atom O of residue 54
Atom CG of residue 78
LYS
Atom C of residue 110
Atom CA of residue 67
VAL
Atom CA of residue 59
LEU
Atom CA of residue 482
Atom O of residue 16
Atom CA of residue 268
Atom CA of residue 18
Chain A
Atom CA of residue 536
GLN
Atom CA of residue 89
Atom CA of residue 104
Atom CA of residue 93
Atom CA of residue 29
Atom O of residue 468
GLY
Atom N of residue 68
Atom C of residue 37
Atom O of residue 99
ILE
SampledDensityMap10
Atom CG of residue 34
GLY
Atom NE of residue 33
GLU
Atom CA of residue 96
Atom C of residue 105
Atom CA of residue 33
Atom O of residue 136
LEU
Atom CA of residue 2648
Atom CA of residue 478
Atom CA of residue 300
Atom CA of residue 377
SER
Atom O of residue 110
ALA
Atom C of residue 551
ASN
Atom CA of residue 78
Atom C of residue 59
Atom CA of residue 457
Atom CB of residue 16
Atom CA of residue 32
Atom CA of residue 248
Atom C of residue 491
Atom CA of residue 90
Atom NH1 of residue 13
Atom CA of residue 37
Atom CZ2 of residue 53
LYS
Atom CZ of residue 82
Atom CB of residue 54
Atom OG1 of residue 7
Atom SD of residue 108
LYS
Atom CA of residue 536
ALA
Atom CG of residue 38
Atom CA of residue 307
Atom CA of residue 10
MET
Atom CA of residue 447
Atom CE2 of residue 11
Atom CA of residue 20
Atom CB of residue 126
ALA
TYR
GLU
Atom CA of residue 229
Atom C of residue 78
Atom CD2 of residue 120
ILE
Atom CA of residue 582
GLY
Atom CG of residue 16
Atom CA of residue 9
Atom CA of residue 445
ALA
ILE
Atom O of residue 105
Atom CA of residue 293
Model 29
ALA
Atom O of residue 93
Atom CA of residue 118
SER
SER
CYS
Atom CA of residue 98
Atom CD of residue 515
Atom CA of residue 39
Atom CA of residue 49
PRO
Atom CA of residue 61
Atom O of residue 59
Atom O of residue 37
Atom CB of residue 99
Atom CZ of residue 33
GLY
LEU
VAL
GLU
Atom CZ3 of residue 53
Chain B
Atom N of residue 50
Atom CG of residue 54
Atom CD of residue 78
VAL
Atom CA of residue 46
ILE
Atom CA of residue 522
PRO
ARG
TYR
CYS
Atom CB of residue 110
Atom CA of residue 63
Atom O of residue 551
GLU
Atom C of residue 540
Atom CG of residue 482
Atom CA of residue 509
GLU
Atom CZ of residue 11
Atom CA of residue 130
Atom CE of residue 108
Atom CA of residue 483
Atom CA of residue 526
Atom CD1 of residue 34
Atom NH2 of residue 13
Atom CA of residue 368
Atom N of residue 83
LYS
MET
GLU
Atom O of residue 78
Atom CB of residue 105
Atom CB of residue 468
Atom N of residue 121
Atom CA of residue 68
Atom CA of residue 577
Atom CA of residue 513
Atom CA of residue 91
Atom CA of residue 269
Atom CB of residue 59
GLU
Atom CA of residue 537
Atom CA of residue 105
GLU
HIS
PRO
Atom CD1 of residue 16
Atom CG2 of residue 7
SER
GLU
ARG
Writer to fast_temp_000.pdb
Atom CA of residue 31
LYS
Atom O of residue 491
Atom CA of residue 97
GLU
Atom CD1 of residue 38
Atom CA of residue 40
Atom CA of residue 50
Atom OE1 of residue 78
PRO
Atom CG of residue 126
LEU
Atom CA of residue 2649
Atom CB of residue 93
ASP
Atom CA of residue 479
Atom CA of residue 34
Atom NE of residue 515
TYR
GLN
Atom CB of residue 37
Atom CA of residue 27
Atom OD1 of residue 482
Atom C of residue 509
Atom CA of residue 61
Atom CA of residue 301
LEU
Atom CB of residue 78
Atom CA of residue 19
Atom OH of residue 11
GLU
Atom CA of residue 14
PRO
Atom CA of residue 80
HIS
Chain B
Atom CA of residue 230
Atom CA of residue 249
ILE
GLY
Atom CA of residue 133
GLN
VAL
Atom CA of residue 537
GLU
Atom CA of residue 308
Atom CB of residue 551
Atom O of residue 540
Atom CG of residue 99
Atom CA of residue 33
PRO
Atom N of residue 109
Atom N of residue 14
Atom CA of residue 38
ARG
Atom CD2 of residue 16
Atom CH2 of residue 53
GLY
Atom CG of residue 468
ASN
Atom CD of residue 54
Atom CG of residue 110
LYS
Atom CA of residue 53
ASN
Atom CA of residue 3
Atom NH1 of residue 33
GLY
PRO
ALA
Atom CD of residue 126
Atom CA of residue 446
GLY
LYS
ARG
VAL
Atom CA of residue 99
LEU
Atom CA of residue 18
Atom N of residue 8
Atom CA of residue 62
Atom CA of residue 294
Atom OD2 of residue 482
Atom O of residue 509
UpdateRigidBodyMembers11
THR
Atom CA of residue 448
Atom CB of residue 491
Atom N of residue 12
Atom CA of residue 583
Atom CA of residue 47
VAL
Atom CA of residue 523
MET
Atom CA of residue 119
THR
LEU
Atom CA of residue 5
Atom N of residue 39
PRO
Atom CA of residue 64
THR
Atom CA of residue 514
Atom OG of residue 37
Atom CD2 of residue 34
Atom CA of residue 18
Atom CA of residue 381
Atom CA of residue 527
Atom CE1 of residue 16
THR
GLY
GLY
Atom SG of residue 93
SER
ARG
Atom N of residue 54
Atom CA of residue 121
TRP
Atom CA of residue 82
Atom CG of residue 59
Atom CA of residue 369
Atom CA of residue 83
Atom CB of residue 540
ASP
Atom CG of residue 105
Atom N of residue 79
Atom CA of residue 23
Atom CA of residue 134
ILE
Atom CA of residue 30
Atom CA of residue 80
ARG
Atom OE1 of residue 54
Atom N of residue 35
Atom CA of residue 8
GLY
mol_0
Atom CA of residue 55
Atom CA of residue 578
Atom N of residue 483
LEU
LEU
ASP
Atom CZ of residue 515
Atom CA of residue 8
Atom OE1 of residue 126
Atom CA of residue 270
Atom CA of residue 54
Atom CA of residue 538
LEU
ASP
Atom CA of residue 106
Atom CA of residue 480
Atom CB of residue 509
Atom CA of residue 14
GLU
Atom CA of residue 92
Atom CD of residue 468
Atom CA of residue 581
GLY
Atom CA of residue 35
LEU
TYR
Atom CD of residue 99
LYS
SER
Atom CA of residue 480
MET
P1
Atom CA of residue 302
Atom CA of residue 2650
Atom CG of residue 78
Atom N of residue 38
ALA
MET
Atom CA of residue 309
ASP
Atom CA of residue 231
Atom CA of residue 250
MET
Atom OD1 of residue 110
Atom CA of residue 55
Atom CA of residue 83
Atom CG of residue 551
GLN
Atom CA of residue 39
LEU
Atom CA of residue 69
Atom N of residue 94
Atom C of residue 83
Atom CA of residue 93
Atom CA of residue 109
Atom CA of residue 475
Atom CB of residue 33
Atom CA of residue 453
Atom C of residue 121
Atom OE2 of residue 54
Atom CA of residue 51
Atom CA of residue 538
GLN
HIS
THR
Atom CA of residue 31
Chain A
Atom CA of residue 81
Atom CA of residue 569
LEU
THR
GLY
Atom CG of residue 491
THR
PRO
GLU
PHE
Atom CA of residue 79
Atom CA of residue 35
Atom CG2 of residue 8
GLU
Atom CD of residue 105
Atom CE of residue 468
ARG
PHE
Atom CE2 of residue 16
Atom C of residue 50
Atom OD1 of residue 59
Atom OE1 of residue 99
SER
PHE
Atom NE2 of residue 126
LYS
Atom CA of residue 12
Atom CA of residue 120
Atom CA of residue 295
Atom CA of residue 65
ILE
VAL
P2
ARG
Atom CA of residue 67
Atom OD2 of residue 110
Atom CD1 of residue 551
THR
Atom NH1 of residue 515
PRO
Atom CA of residue 447
Atom CA of residue 515
ALA
Atom CA of residue 48
Atom C of residue 109
Atom CA of residue 524
PRO
GLY
Atom CA of residue 15
Atom CZ of residue 16
PRO
GLU
Atom O of residue 580
LEU
ALA
Atom CA of residue 65
VAL
Atom O of residue 83
GLU
Atom CA of residue 52
Atom CG of residue 540
Atom CG of residue 33
Atom CA of residue 449
Atom CA of residue 370
Atom CA of residue 528
GLU
TYR
GLU
Atom CD of residue 78
Atom CD of residue 491
LEU
PHE
Atom CA of residue 380
Atom CA of residue 56
Atom NZ of residue 468
Atom CA of residue 68
Atom OE2 of residue 99
GLN
Atom OE1 of residue 105
Atom C of residue 79
Atom CA of residue 271
Atom N of residue 9
Atom OH of residue 16
Atom CA of residue 539
Atom CA of residue 94
Atom CA of residue 107
Atom CA of residue 481
Atom OD2 of residue 59
GLU
LEU
Atom O of residue 121
Atom N of residue 111
Atom CD2 of residue 551
Atom C of residue 8
Atom NH2 of residue 515
Atom CA of residue 16
Atom C of residue 12
LEU
GLU
Atom CA of residue 54
Atom O of residue 50
Atom CB of residue 580
SER
LYS
Atom CA of residue 127
Atom CA of residue 47
LYS
Atom CA of residue 2651
Atom C of residue 76
Atom CA of residue 310
THR
Atom CA of residue 303
Atom CA of residue 38
Atom CB of residue 83
Atom CA of residue 135
LEU
Atom N of residue 17
Atom CA of residue 41
Atom SD of residue 540
LEU
LYS
Atom CA of residue 483
Atom CA of residue 232
Atom CA of residue 251
Atom OE1 of residue 491
Atom CA of residue 25
LYS
VAL
Atom CA of residue 539
ILE
Atom OE1 of residue 78
CYS
Atom CA of residue 75
Atom CA of residue 84
Atom CA of residue 4
Atom C of residue 54
Atom CA of residue 382
GLY
PHE
THR
ILE
LYS
Atom N of residue 516
Atom N of residue 60
Atom N of residue 55
GLU
Atom N of residue 51
Atom CA of residue 94
Atom CA of residue 469
SER
Atom CE1 of residue 551
LEU
Atom NZ of residue 146
ASP
ALA
Atom CA of residue 448
Atom CA of residue 58
Atom CG of residue 580
Atom CD of residue 33
PRO
Atom CD of residue 147
ILE
ARG
Atom O of residue 109
SER
Atom CB of residue 121
THR
Atom CA of residue 26
GLU
Atom CE of residue 540
Atom O of residue 54
LEU
Atom CA of residue 450
Atom CA of residue 296
Atom CA of residue 144
Atom C of residue 483
ILE
Atom O of residue 12
Atom CA of residue 49
Atom CA of residue 76
Atom OD1 of residue 6
Atom CA of residue 525
Atom CA of residue 574
Atom CA of residue 121
Atom O of residue 79
TRP
Atom CA of residue 516
LEU
Atom CA of residue 66
SER
Atom N of residue 100
Atom N of residue 572
Atom CA of residue 55
Atom CA of residue 529
Atom CA of residue 48
SER
ALA
LEU
Atom CA of residue 71
VAL
Atom C of residue 35
Atom N of residue 127
Atom OG of residue 61
Atom C of residue 94
VAL
LEU
ARG
Atom C of residue 38
Atom CA of residue 371
PRO
TYR
THR
Atom CA of residue 83
Atom CA of residue 492
Atom CA of residue 502
Atom OE2 of residue 105
LYS
Atom CB of residue 109
VAL
Atom O of residue 8
Atom CG of residue 83
Atom CA of residue 70
Atom CA of residue 482
LEU
Atom CA of residue 111
LYS
PRO
Atom C of residue 574
Atom N of residue 469
TYR
ARG
Atom CA of residue 272
Atom O of residue 31
Atom CA of residue 540
GLY
PRO
Atom OE2 of residue 78
Atom CA of residue 108
Atom CA of residue 42
Atom CA of residue 72
Atom O of residue 18
Atom CA of residue 313
SER
Atom CA of residue 95
Atom CA of residue 136
ASP
LYS
Atom OD2 of residue 6
SER
Atom N of residue 541
GLY
Atom O of residue 483
Atom CA of residue 304
PRO
Atom NE2 of residue 491
SER
Atom CA of residue 383
ASP
THR
PRO
Atom CA of residue 64
Atom CA of residue 2652
Atom O of residue 94
Atom CA of residue 233
Atom CA of residue 252
LEU
Atom OE2 of residue 78
VAL
LEU
Atom CG of residue 121
Atom O of residue 35
PHE
Atom O of residue 38
Atom OG of residue 109
Atom C of residue 568
LYS
ASP
Atom N of residue 18
Atom CA of residue 84
Atom CB of residue 12
Atom CD1 of residue 580
Atom CA of residue 96
Atom CA of residue 50
Atom CA of residue 540
Atom CB of residue 54
Atom O of residue 574
Atom CA of residue 516
Atom CA of residue 60
VAL
Atom CA of residue 73
Atom CA of residue 81
Atom CA of residue 137
Atom CA of residue 453
Atom CA of residue 51
ASP
Atom CB of residue 8
MET
Atom CA of residue 124
HIS
THR
GLU
Atom CA of residue 314
Atom CB of residue 35
ARG
Atom CA of residue 82
ILE
Atom CA of residue 100
Atom C of residue 111
Atom CB of residue 94
Atom N of residue 106
Atom CA of residue 98
Atom CA of residue 145
Atom CE2 of residue 551
Atom CA of residue 17
ALA
Atom C of residue 127
Atom CA of residue 89
LYS
Atom CA of residue 451
Atom CA of residue 134
VAL
Atom C of residue 146
Atom CA of residue 132
Atom CA of residue 297
ALA
HIS
Atom CA of residue 454
Atom OD1 of residue 121
SER
Atom CA of residue 517
Atom ND1 of residue 83
Atom CB of residue 483
GLY
ALA
Atom CA of residue 526
Atom CA of residue 35
LEU
Atom CA of residue 59
MET
PRO
Fit restraint
Atom CA of residue 67
Atom OE1 of residue 54
Atom CA of residue 372
ARG
HIS
Atom CA of residue 503
SER
TRP
GLY
Atom N of residue 492
Atom CG of residue 12
Atom CA of residue 530
Atom CG of residue 35
Atom CA of residue 140
ALA
PHE
Atom CA of residue 483
Atom N of residue 79
HIS
Atom CA of residue 125
GLU
GLU
Atom CA of residue 51
LEU
Atom CZ of residue 551
Atom CB of residue 7
Atom CA of residue 273
Atom CA of residue 63
GLY
Atom CA of residue 541
Atom CA of residue 408
Atom N of residue 110
TYR
Atom CA of residue 97
Atom CA of residue 90
PRO
Atom CD2 of residue 580
Atom CA of residue 449
Atom CD2 of residue 83
PHE
Atom C of residue 100
Atom C of residue 17
Atom OG1 of residue 8
Atom CA of residue 132
Atom C of residue 516
Atom C of residue 60
ASP
Atom O of residue 127
GLU
Atom CA of residue 2653
PRO
Atom C of residue 51
Atom N of residue 39
Atom CA of residue 305
Atom CA of residue 384
Atom OE2 of residue 54
Atom CB of residue 574
Atom C of residue 469
Atom ND2 of residue 121
Atom C of residue 55
Atom O of residue 111
ASN
Atom CA of residue 253
PRO
ASP
Atom CA of residue 136
LYS
ASN
ASP
Atom CA of residue 541
Atom CA of residue 373
ASN
Atom CA of residue 41
GLU
Atom CA of residue 74
GLY
Atom CG of residue 62
Atom CA of residue 106
Atom CA of residue 316
Atom CA of residue 21
Atom CA of residue 234
LEU
Atom CA of residue 541
THR
Atom CA of residue 22
ILE
Atom N of residue 552
Atom CG of residue 94
Atom CA of residue 83
CYS
Atom CE1 of residue 83
PHE
Atom OE1 of residue 17
LEU
ARG
ALA
Atom CA of residue 99
Atom CA of residue 146
Atom CD of residue 35
Atom CA of residue 16
Atom CA of residue 131
PRO
Atom CA of residue 135
LEU
Atom O of residue 55
ASP
Atom CA of residue 52
python stream rigid body rigid body positions
Atom CA of residue 452
NormalizeRotation3
ILE
LEU
Atom CA of residue 79
Atom O of residue 469
PRO
Atom CA of residue 23
Atom O of residue 100
SER
PRO
Atom C of residue 541
Atom CA of residue 298
Atom CG of residue 483
Atom CB of residue 127
Atom CA of residue 527
Atom C of residue 106
Atom CA of residue 20
Atom CA of residue 91
SER
DensityMap887
Atom N of residue 581
PHE
Atom OG of residue 574
Atom N of residue 122
LEU
Atom CB of residue 111
Atom CA of residue 504
LEU
ASP
Atom CA of residue 531
ALA
Atom CA of residue 141
ALA
GLU
HIS
Atom CA of residue 484
GLU
Atom CG2 of residue 8
HIS
Atom CD2 of residue 77
Atom OE2 of residue 17
Atom O of residue 516
Atom O of residue 60
Atom CG2 of residue 5
LEU
Atom CA of residue 450
Atom CA of residue 518
Atom O of residue 51
SER
Atom N of residue 56
Atom CA of residue 100
LYS
PRO
THR
Atom C of residue 492
Atom CA of residue 409
Atom CA of residue 98
VAL
Atom N of residue 55
Atom CA of residue 136
Atom C of residue 79
Atom OE1 of residue 35
CYS
Atom CA of residue 27
Atom CA of residue 122
Atom CD of residue 483
Atom CA of residue 274
Atom CA of residue 29
Atom CB of residue 60
Atom O of residue 106
Atom CA of residue 542
Atom NE2 of residue 83
THR
Atom CD1 of residue 94
MET
Atom CD of residue 77
LEU
Atom CA of residue 37
Atom CB of residue 516
LYS
SER
ASP
Atom CA of residue 306
Atom CB of residue 100
GLU
Atom O of residue 541
Atom CA of residue 4
Atom CA of residue 2
Atom CA of residue 100
GLU
ALA
Atom N of residue 6
Atom C of residue 18
Atom CA of residue 254
Atom CA of residue 2654
ILE
Atom CB of residue 51
ASP
ALA
Atom CA of residue 44
GLY
GLU
LYS
Atom CA of residue 122
GLY
Atom CG of residue 111
Atom CA of residue 552
Atom CA of residue 311
ARG
Atom CA of residue 92
Atom N of residue 9
Atom CA of residue 82
ASP
ASN
ASN
Atom CA of residue 23
GLY
Atom CA of residue 542
Atom CE1 of residue 77
Atom O of residue 79
Atom CA of residue 84
GLY
Atom CA of residue 147
Atom CA of residue 36
CYS
Atom N of residue 575
Atom OE1 of residue 483
LEU
LeavesRefiner3
Atom N of residue 18
THR
Atom CA of residue 235
Atom CG of residue 60
LEU
Atom CA of residue 494
GLY
Chain A
Atom OG1 of residue 51
Atom NE of residue 77
GLU
Atom CA of residue 52
Atom CG of residue 516
Atom CA of residue 57
Atom CB of residue 469
LEU
GLU
PRO
Atom CG of residue 127
Atom CA of residue 45
Atom CA of residue 67
Atom CA of residue 110
python stream
Atom C of residue 6
Atom CA of residue 519
ARG
Atom CA of residue 299
Atom CA of residue 505
PHE
LEU
GLU
Atom CA of residue 581
VAL
Atom CA of residue 142
Atom CB of residue 541
ASN
Atom CA of residue 451
ALA
Atom CA of residue 485
Atom CA of residue 9
Atom CA of residue 528
Atom CA of residue 24
LEU
LEU
Atom O of residue 492
ALA
Atom N of residue 84
CYS
ARG
GLY
Atom CA of residue 149
Atom C of residue 552
Atom CG of residue 54
PHE
Atom CA of residue 68
Atom CA of residue 532
Atom OE2 of residue 483
Atom CB of residue 106
Atom CA of residue 56
Atom CA of residue 410
ASP
Atom C of residue 110
Atom CA of residue 3
Atom CD2 of residue 94
Atom CZ of residue 77
ASP
Atom CA of residue 19
ARG
ALA
PRO
Atom CA of residue 13
Atom CA of residue 584
ARG
Atom CA of residue 275
Atom CA of residue 95
Atom CA of residue 30
Atom CA of residue 543
Atom OD1 of residue 127
Atom CA of residue 52
Atom CG1 of residue 469
Atom CA of residue 506
Atom C of residue 122
Atom C of residue 581
Atom CA of residue 19
ILE
Atom CA of residue 38
Atom CB of residue 492
Atom N of residue 95
Atom CA of residue 76
Atom CG of residue 100
THR
Atom OE1 of residue 32
GLU
LYS
Atom CA of residue 2655
ASP
Atom CA of residue 150
Atom CA of residue 66
ASP
Atom CA of residue 141
Atom CA of residue 385
Atom CA of residue 255
ASP
Atom CB of residue 79
Atom CA of residue 96
Atom CA of residue 312
ILE
Atom CD of residue 111
Atom CA of residue 53
Atom CA of residue 236
PRO
Atom CA of residue 3
Atom CA of residue 70
Atom CA of residue 148
HIS
LEU
Atom CA of residue 46
Atom CA of residue 2634
Atom CA of residue 543
Atom CD of residue 60
LEU
PRO
Atom OE2 of residue 35
Atom CG2 of residue 51
ASP
Atom O of residue 110
LEU
Atom CD1 of residue 516
Atom O of residue 552
ASP
SER
Atom CG of residue 106
Atom CA of residue 495
GLU
Atom CA of residue 101
Atom OD2 of residue 127
Atom CA of residue 28
Atom CB of residue 31
LYS
Atom CA of residue 575
Atom CA of residue 42
ARG
LYS
LYS
ASN
Atom O of residue 581
Atom CA of residue 386
GLY
Atom CA of residue 6
Atom CG of residue 492
Atom OD1 of residue 100
SER
Atom C of residue 9
Atom CD of residue 54
Atom NH1 of residue 77
GLN
Atom C of residue 148
ARG
THR
ILE
PRO
Atom O of residue 122
SER
Atom OE1 of residue 111
Atom CA of residue 143
LEU
Atom CA of residue 520
Atom CA of residue 95
Atom CA of residue 149
Atom C of residue 56
Atom CA of residue 486
Atom CA of residue 529
Atom N of residue 542
VAL
Atom N of residue 52
Atom CA of residue 300
Atom OD1 of residue 567
Atom CB of residue 110
ILE
Atom CA of residue 452
VAL
Atom CA of residue 18
Atom CG of residue 79
Atom CA of residue 85
ARG
Atom CA of residue 533
P1
Atom C of residue 21
PRO
TYR
ASN
GLU
Atom CA of residue 411
Atom N of residue 128
ARG
Atom CA of residue 29
Atom CA of residue 9
Atom C of residue 575
ASP
Atom CB of residue 581
PRO
Atom NE of residue 60
Atom CA of residue 68
Atom CA of residue 101
Atom CG2 of residue 469
Atom CA of residue 97
Atom CA of residue 585
Atom CD2 of residue 516
Atom OD2 of residue 100
LYS
Atom N of residue 36
Atom CB of residue 552
Atom CA of residue 7
Atom NH2 of residue 77
Atom CA of residue 151
Atom N of residue 484
Atom CA of residue 14
SER
VAL
LEU
Atom CA of residue 123
Atom CA of residue 105
VAL
Atom OG of residue 509
Atom CA of residue 156
Atom OE2 of residue 111
Atom CG of residue 110
Atom CA of residue 39
Atom CA of residue 84
Atom CA of residue 276
VAL
Atom CG of residue 9
Atom CA of residue 73
LEU
Atom CA of residue 31
Atom CA of residue 544
Atom CA of residue 41
Atom ND1 of residue 106
Atom CA of residue 142
Atom CA of residue 52
Atom CA of residue 27
PRO
Atom CA of residue 134
Atom O of residue 21
VAL
Atom CB of residue 122
GLY
ASN
Atom CA of residue 256
ILE
Atom OD1 of residue 492
Atom CA of residue 2656
PRO
SampledDensityMap82
Atom CA of residue 2635
Atom CA of residue 237
ASP
ALA
ALA
ALA
Atom N of residue 470
ALA
Atom O of residue 148
ASN
Atom O of residue 575
Atom CA of residue 517
Atom O of residue 56
Atom N of residue 101
GLN
SER
Atom CA of residue 28
ALA
Atom CA of residue 30
Atom CA of residue 103
LYS
TRP
Atom CA of residue 544
GLU
Atom C of residue 84
ARG
THR
ARG
Atom C of residue 116
HIS
Atom CD of residue 79
VAL
Atom CA of residue 542
ASN
HIS
Atom CD2 of residue 106
VAL
Atom CB of residue 21
Atom CA of residue 86
Atom CA of residue 11
ALA
PRO
Atom CA of residue 487
Atom CG of residue 552
Atom CD of residue 9
THR
Atom CA of residue 78
ASP
PRO
ARG
Atom CA of residue 2636
Atom CB of residue 575
Atom CA of residue 521
Atom N of residue 57
Atom CA of residue 106
PRO
Atom CZ of residue 60
Atom CG of residue 581
Atom N of residue 112
TYR
ARG
Atom CA of residue 301
Atom N of residue 510
Atom N of residue 517
Atom CA of residue 484
Atom OD1 of residue 110
Atom CA of residue 34
PHE
Atom CA of residue 530
VAL
TRP
GLY
HIS
ASN
Atom CA of residue 12
Atom CA of residue 112
Atom CG of residue 433
Atom O of residue 7
Atom CA of residue 507
Atom CA of residue 36
Atom CA of residue 45
TRP
Atom CA of residue 77
ASP
Atom N of residue 80
ARG
PRO
Atom CA of residue 534
Atom N of residue 78
Atom CB of residue 148
Atom CA of residue 412
Atom CG of residue 21
LEU
Atom C of residue 68
LYS
Atom OD2 of residue 492
Atom CA of residue 8
VAL
Atom CA of residue 15
Atom C of residue 95
Atom CA of residue 102
VAL
Atom CA of residue 157
VAL
Atom CA of residue 277
ARG
Atom C of residue 542
Atom CA of residue 32
Atom CA of residue 545
ARG
ASN
PHE
Atom CA of residue 37
Atom CA of residue 586
LEU
Atom CA of residue 143
Atom CA of residue 128
ASP
Atom O of residue 84
Atom CA of residue 109
VAL
LEU
Atom CG of residue 122
Atom C of residue 484
Atom OE1 of residue 9
LYS
Atom CA of residue 2657
Atom NH1 of residue 60
LYS
Atom CA of residue 2655
Atom CA of residue 28
Atom CA of residue 257
VAL
TYR
MET
Atom OD1 of residue 433
Atom CA of residue 53
Atom CA of residue 93
Atom CA of residue 496
Atom CA of residue 238
PRO
Atom C of residue 52
Atom CA of residue 150
ASN
ASN
Atom CA of residue 68
LYS
PRO
Atom CA of residue 35
Atom CD of residue 21
Atom CA of residue 22
Atom CE1 of residue 106
ILE
Atom CA of residue 110
Atom CA of residue 545
Atom CA of residue 389
ASP
GLN
Atom CA of residue 17
PRO
Atom CA of residue 314
LEU
Atom CD1 of residue 581
Atom CA of residue 39
ARG
CYS
Atom CD of residue 552
Atom OG1 of residue 7
Atom CA of residue 26
Atom CG of residue 575
Atom CA of residue 104
Atom O of residue 95
ALA
GLU
Atom OD2 of residue 110
Atom O of residue 68
Atom C of residue 128
LYS
Atom CA of residue 112
LEU
PRO
Atom CA of residue 31
MET
Atom CB of residue 84
Atom CA of residue 87
Atom CA of residue 508
Atom C of residue 517
Atom CD of residue 122
Atom CA of residue 488
Atom NH2 of residue 60
Atom CA of residue 101
Atom CA of residue 148
TYR
Atom OE2 of residue 9
ASP
Atom CA of residue 470
GLU
TRP
ILE
Atom CA of residue 388
Atom CA of residue 522
PHE
ALA
Atom CA of residue 57
PRO
Atom CB of residue 95
Atom O of residue 484
Atom CA of residue 531
LEU
Atom CA of residue 131
Atom O of residue 542
Atom CA of residue 302
Atom CA of residue 29
VAL
VAL
LEU
VAL
Atom CA of residue 535
MET
Atom C of residue 470
ILE
Atom CA of residue 413
Atom N of residue 553
Atom OE1 of residue 20
GLU
Atom CA of residue 80
TRP
Atom CB of residue 20
Atom C of residue 36
Atom CA of residue 94
ALA
Atom N of residue 493
TYR
Atom C of residue 7
Atom CA of residue 103
Atom CA of residue 46
Atom CA of residue 158
Atom CA of residue 509
Atom CA of residue 9
Atom OE1 of residue 122
Atom CA of residue 113
MET
Atom CA of residue 16
Atom CA of residue 69
Atom N of residue 61
Atom C of residue 101
VAL
Atom C of residue 78
Atom CA of residue 497
Atom CA of residue 111
Atom CA of residue 144
Atom CA of residue 387
Atom O of residue 128
Atom CA of residue 10
ILE
Atom CD2 of residue 581
Atom C of residue 112
Atom CG of residue 84
TYR
Atom CA of residue 510
Atom CA of residue 587
ALA
Atom CA of residue 278
Atom CA of residue 33
Atom O of residue 52
Atom NE2 of residue 106
Atom CA of residue 546
CYS
Atom CA of residue 2637
Atom CB of residue 542
Atom OD2 of residue 433
Atom CA of residue 54
Atom CD1 of residue 575
Atom CA of residue 98
VAL
Atom CG of residue 12
ALA
Atom CA of residue 258
P314
Atom CA of residue 151
Atom CA of residue 50
ALA
Atom O of residue 470
Atom CB of residue 484
LYS
ASN
Atom CA of residue 239
Atom CA of residue 2658
Atom CG of residue 20
Atom CA of residue 2656
Atom O of residue 36
LYS
Atom CA of residue 40
LEU
PRO
LYS
VAL
VAL
Atom O of residue 134
Atom O of residue 517
Atom OE2 of residue 122
Atom CA of residue 35
SER
Atom C of residue 57
Atom N of residue 582
GLU
ASP
Atom CA of residue 41
python stream rigid body
Atom CA of residue 105
VAL
TRP
LEU
Atom CA of residue 88
TYR
Atom N of residue 111
Atom C of residue 510
Atom CA of residue 21
Atom CD1 of residue 12
GLY
Atom CA of residue 546
ILE
GLY
ILE
ASN
Atom CA of residue 489
VAL
Atom O of residue 101
Atom N of residue 434
Atom CB of residue 128
Atom CA of residue 139
Atom CA of residue 19
Atom C of residue 80
HIS
Atom C of residue 96
Atom N of residue 107
Atom CB of residue 470
Atom CA of residue 76
LYS
Atom N of residue 10
VAL
GLN
Atom O of residue 112
Atom CB of residue 36
GLU
GLU
Atom CA of residue 553
PHE
Atom CB of residue 52
ALA
THR
Atom CA of residue 51
Atom CG of residue 542
Atom CA of residue 453
Atom CA of residue 112
Atom CA of residue 455
GLU
Atom C of residue 21
Atom CD of residue 84
TYR
GLN
Atom CD2 of residue 12
TRP
Atom CA of residue 532
GLU
ARG
Atom O of residue 510
Atom CA of residue 493
VAL
Atom CB of residue 517
Atom CA of residue 523
Atom O of residue 78
MapReaderWriter5
Atom CA of residue 47
Atom CA of residue 159
LEU
SER
Atom CA of residue 428
GLU
VAL
Atom CA of residue 132
Atom CA of residue 536
VAL
THR
Atom CA of residue 414
LYS
Atom CA of residue 10
Atom CA of residue 498
Atom CA of residue 145
Atom CA of residue 17
VAL
MET
Atom ND1 of residue 20
Atom CA of residue 304
Atom CA of residue 114
MET
Atom CA of residue 104
Atom CA of residue 70
Atom CA of residue 99
Atom CA of residue 279
VAL
Atom CA of residue 547
PRO
Atom CB of residue 101
Atom CA of residue 77
Atom CD2 of residue 575
GLN
Atom CA of residue 491
Atom O of residue 96
Atom O of residue 57
ALA
ALA
Atom CA of residue 52
Atom CA of residue 316
Atom CA of residue 152
Atom CB of residue 112
Atom CB of residue 510
Atom SD of residue 10
GLU
ILE
Atom CA of residue 2
Atom C of residue 553
Atom O of residue 21
ILE
Atom CA of residue 259
ALA
Atom CA of residue 2659
Atom CB of residue 78
Atom N of residue 485
Atom CA of residue 2657
Atom CA of residue 140
Atom CD1 of residue 542
VAL
Atom C of residue 493
Atom CA of residue 55
Atom N of residue 85
GLY
GLU
Atom CA of residue 42
CYS
TYR
Atom CA of residue 69
Atom CE1 of residue 575
Atom O of residue 80
Atom CG of residue 52
PHE
PRO
Atom CA of residue 240
GLY
ARG
GLU
Atom CA of residue 111
PRO
Atom CA of residue 547
Atom CE of residue 10
ARG
Atom CB of residue 57
PHE
Atom CA of residue 510
PHE
MET
Atom CA of residue 434
ASN
Atom N of residue 123
Atom CD2 of residue 20
Atom CA of residue 115
Model 33
Atom CG of residue 36
Atom CA of residue 106
Atom CA of residue 133
Atom CA of residue 492
Atom CA of residue 77
Atom CG of residue 128
Atom CA of residue 2638
ARG
GLN
ALA
Atom CA of residue 107
Atom CG of residue 510
Atom CD1 of residue 116
ASP
Atom CA of residue 107
Atom CG1 of residue 470
Atom C of residue 111
ILE
GLN
VAL
Atom CB of residue 80
Atom CG of residue 78
THR
Atom N of residue 11
Atom O of residue 493
GLY
GLU
LYS
ALA
Atom CB of residue 96
Atom CG of residue 517
Atom CA of residue 89
Atom CA of residue 391
Atom CA of residue 76
Atom CA of residue 582
PHE
Atom CA of residue 527
CYS
Atom O of residue 553
Atom CA of residue 533
Atom CA of residue 33
ASN
ILE
LEU
GLU
Atom CA of residue 160
GLN
LEU
Atom CA of residue 537
Atom C of residue 434
Atom CG1 of residue 112
GLY
PRO
TYR
GLN
Atom CD of residue 52
PRO
ALA
Atom CA of residue 415
Atom CA of residue 141
HIS
Atom CA of residue 303
GLY
Atom CA of residue 146
ASN
Atom CA of residue 13
Atom C of residue 107
ARG
Atom C of residue 582
Atom CD of residue 128
Atom CA of residue 429
Atom CA of residue 105
Atom CA of residue 48
Atom CA of residue 78
Atom O of residue 9
Atom CA of residue 18
Atom CB of residue 493
Atom CG of residue 80
Atom CA of residue 485
Atom CA of residue 28
LYS
Atom CA of residue 499
Atom CG of residue 101
Atom CD2 of residue 116
Atom CA of residue 100
Atom CA of residue 11
Atom CG2 of residue 470
PRO
Atom CA of residue 153
Atom CA of residue 134
ARG
Model 42
Atom CG of residue 57
GLY
Atom CA of residue 280
ARG
Atom CA of residue 317
Atom CA of residue 548
Atom CA of residue 77
input1.pdb
Atom CA of residue 56
Atom CD of residue 36
TYR
Atom CD2 of residue 542
Atom CA of residue 260
ASP
Atom O of residue 582
Atom CA of residue 108
GLU
Atom O of residue 17
ALA
Atom O of residue 434
Atom CA of residue 19
Atom CD1 of residue 517
Atom CA of residue 123
GLY
THR
Atom OD1 of residue 510
LYS
Atom CA of residue 2658
PRO
GLU
Atom CB of residue 553
Atom CA of residue 493
Atom CD of residue 78
Atom CE1 of residue 20
GLY
Atom CA of residue 139
Atom N of residue 129
VAL
Atom O of residue 107
LYS
THR
Atom CA of residue 14
Atom CA of residue 85
Atom CA of residue 91
PRO
Atom CD of residue 80
Atom N of residue 53
Atom CE2 of residue 575
Atom CA of residue 107
PRO
GLN
THR
Atom CD of residue 101
LEU
Atom O of residue 111
Atom CA of residue 548
Atom CA of residue 78
Atom CA of residue 394
LYS
GLU
PHE
LYS
Atom CA of residue 511
Atom CB of residue 9
Atom CA of residue 241
Model 40
LEU
Atom CA of residue 142
GLU
ALA
Atom OG of residue 95
GLN
Atom C of residue 485
Atom CB of residue 17
LYS
Atom N of residue 543
LEU
ASP
Atom CA of residue 2634
Atom N of residue 471
Atom C of residue 123
Atom CG2 of residue 112
GLY
Atom CA of residue 2642
Atom CD1 of residue 18
Atom CB of residue 107
Atom CA of residue 147
ASP
ALA
PHE
Chain A
Atom CA of residue 140
Atom CA of residue 80
Atom CA of residue 161
VAL
Atom CA of residue 524
LYS
Atom C of residue 85
Atom CA of residue 92
GLY
Atom CB of residue 111
Atom N of residue 10
ARG
Atom CA of residue 528
Atom O of residue 21
VAL
Atom CA of residue 416
Atom OE1 of residue 36
Atom ND2 of residue 510
Atom CA of residue 534
Atom N of residue 494
Atom CE of residue 101
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
GLU
Atom CZ of residue 575
GLN
Atom CE of residue 78
ALA
Atom CA of residue 49
THR
VAL
Atom CA of residue 538
Atom CA of residue 116
Atom N of residue 81
TRP
Atom CG of residue 17
ILE
Atom CD2 of residue 517
Atom CA of residue 500
Atom N of residue 554
ASN
Atom CA of residue 14
Atom CA of residue 23
Atom CA of residue 69
Atom CA of residue 15
Atom CA of residue 106
Atom CA of residue 154
Atom CD1 of residue 57
Atom CB of residue 434
GLN
Atom CA of residue 81
LEU
Atom CA of residue 12
Atom CA of residue 471
HIS
Atom CB of residue 582
Atom NE2 of residue 20
Atom N of residue 113
PRO
Atom CA of residue 281
Atom CD2 of residue 18
Atom CA of residue 468
Atom CA of residue 549
THR
GLY
Atom CA of residue 16
ALA
Atom CA of residue 79
Atom CA of residue 318
ASN
ARG
VAL
Atom CG of residue 111
Atom CA of residue 143
Atom CA of residue 261
LYS
Atom N of residue 96
Atom O of residue 123
Atom CA of residue 57
Atom NE2 of residue 36
PRO
Atom CA of residue 511
ASN
Atom CA of residue 494
GLU
ALA
ARG
Atom CA of residue 467
Atom CA of residue 2659
ALA
Atom CA of residue 79
Atom O of residue 485
Atom CA of residue 57
VAL
PRO
PRO
Atom CA of residue 242
Atom O of residue 85
PRO
PHE
MET
Atom CA of residue 390
THR
SER
LYS
Atom NZ of residue 101
ARG
Atom OD1 of residue 122
Atom CA of residue 543
Atom N of residue 576
Atom CA of residue 549
Atom CA of residue 117
ALA
PHE
Atom CD2 of residue 57
LEU
Atom CA of residue 512
Atom CA of residue 8
Atom N of residue 21
LYS
VAL
LEU
Atom CG1 of residue 107
Atom CD of residue 17
PRO
Atom CA of residue 2635
Atom CA of residue 108
ALA
VAL
SER
Atom CA of residue 237
PRO
Atom CA of residue 2641
ARG
Atom CA of residue 53
ASP
Atom CA of residue 359
Atom CG1 of residue 434
Atom CA of residue 129
ASN
LEU
Atom CA of residue 96
Atom CG of residue 582
GLU
Atom CA of residue 37
Atom CA of residue 146
Atom CA of residue 72
Atom CA of residue 73
Atom CA of residue 148
MET
ALA
Atom CA of residue 58
Atom CB of residue 485
LEU
Atom CA of residue 490
Atom CA of residue 16
SER
Atom CA of residue 162
Atom CA of residue 79
Atom N of residue 518
ASP
CYS
Atom CA of residue 529
Atom CB of residue 123
Atom CA of residue 535
Atom N of residue 58
Atom CA of residue 93
Atom CA of residue 515
Atom C of residue 543
Atom C of residue 19
LEU
ALA
Atom CA of residue 98
PHE
Atom CA of residue 539
Atom CA of residue 471
ASP
PHE
ARG
Atom CD of residue 111
TRP
VAL
MET
CYS
Atom O of residue 46
GLY
Atom CG of residue 85
Atom CA of residue 156
Atom CG of residue 136
Atom N of residue 511
Atom CA of residue 554
Atom OD2 of residue 122
Atom O of residue 11
PHE
Atom CB of residue 79
PRO
Atom CA of residue 12
Atom CA of residue 107
Atom NZ of residue 78
LYS
Atom CA of residue 36
Atom C of residue 129
LYS
PRO
Atom CA of residue 113
PRO
Atom CG2 of residue 107
Atom CA of residue 149
Atom CA of residue 418
Atom CA of residue 74
Atom C of residue 53
Atom CA of residue 238
Atom CA of residue 501
VAL
LEU
THR
Atom CA of residue 468
LEU
VAL
SER
Atom CA of residue 319
ILE
Atom N of residue 123
Atom CB of residue 11
Atom CA of residue 282
Atom CD1 of residue 12
Atom CA of residue 550
PHE
Atom N of residue 37
Atom CA of residue 262
Atom CA of residue 524
GLU
Atom OG1 of residue 485
Atom CA of residue 58
Atom CA of residue 147
VAL
Atom CA of residue 81
MET
Atom CA of residue 494
LEU
Atom CD of residue 582
Atom CE2 of residue 22
Atom CA of residue 473
Atom CB of residue 46
Atom CG2 of residue 434
Atom CA of residue 243
SER
Atom CA of residue 59
Atom CA of residue 2660
THR
Atom CG of residue 79
Atom CA of residue 17
Atom O of residue 543
Atom N of residue 102
LEU
GLU
Atom CB of residue 116
SER
Atom CA of residue 134
Atom CG of residue 11
Atom CA of residue 576
ASP
Atom CA of residue 10
Atom OE1 of residue 111
ASP
Atom CA of residue 2636
Atom CA of residue 109
ILE
ALA
ALA
Atom C of residue 554
Atom CA of residue 550
Atom CA of residue 5
Atom O of residue 19
Atom CA of residue 2660
Atom CA of residue 79
Atom O of residue 129
Atom CA of residue 513
LYS
Atom C of residue 113
VAL
Atom CA of residue 74
PRO
Atom CD2 of residue 12
ARG
TYR
Atom OD1 of residue 85
ALA
SER
SER
ARG
Atom CA of residue 2639
Atom CG1 of residue 23
ASN
LYS
SER
Atom O of residue 53
GLY
GLY
Atom C of residue 81
Atom C of residue 494
Atom N of residue 79
Atom CA of residue 514
Atom CA of residue 163
Atom N of residue 435
Atom CA of residue 495
Atom OE1 of residue 582
Atom CZ of residue 22
ALA
Atom CA of residue 90
Atom CA of residue 13
GLN
Atom C of residue 471
PHE
Atom CA of residue 518
Atom CG of residue 123
Atom CA of residue 328
TYR
Atom C of residue 511
Atom CA of residue 99
Atom CA of residue 465
ASP
Atom CA of residue 79
Atom CA of residue 58
LYS
Atom CA of residue 148
Atom CA of residue 530
Atom OE2 of residue 111
Atom CA of residue 536
Atom CA of residue 2646
Atom CA of residue 133
Atom CA of residue 157
Atom C of residue 576
TYR
Atom CA of residue 26
GLN
ASP
ASN
Atom CA of residue 27
Atom CD1 of residue 11
LEU
SER
LEU
Atom CA of residue 540
VAL
LYS
Atom CA of residue 434
Atom N of residue 13
Atom CB of residue 85
Atom CA of residue 60
Atom CA of residue 71
Atom C of residue 37
Atom CA of residue 18
Atom CB of residue 19
Atom CA of residue 502
Atom CA of residue 27
Atom O of residue 554
HIS
LEU
SER
Atom CD of residue 79
TYR
Atom CA of residue 108
Atom N of residue 23
SER
Atom CB of residue 129
Atom CB of residue 53
ARG
Atom O of residue 471
Atom CA of residue 134
Atom C of residue 518
Atom CA of residue 551
Atom CD of residue 123
VAL
THR
Atom CA of residue 320
Atom CA of residue 525
Atom CA of residue 472
Atom CA of residue 100
Atom CA of residue 102
Atom CA of residue 14
Atom CA of residue 80
Atom CA of residue 123
GLU
Atom O of residue 81
Chain B
Atom N of residue 108
GLN
Atom CA of residue 435
VAL
Atom CB of residue 543
Atom CA of residue 263
LEU
Atom CA of residue 118
LYS
ARG
LYS
TYR
Atom O of residue 494
Atom CZ of residue 24
ALA
Atom O of residue 113
Atom CA of residue 2661
GLY
Atom CG2 of residue 485
Atom CA of residue 59
Atom CD2 of residue 11
Atom CA of residue 244
Atom CA of residue 417
MET
Atom CA of residue 20
ARG
Atom CA of residue 72
PRO
PRO
Atom CA of residue 149
Atom CA of residue 2661
Atom CA of residue 551
Atom CG of residue 53
Atom CB of residue 471
Atom CG2 of residue 23
THR
MET
GLU
GLY
Atom CA of residue 514
Atom C of residue 58
PHE
SER
Atom CA of residue 75
Atom CA of residue 436
Atom CA of residue 2639
Atom O of residue 518
Atom NE2 of residue 582
Atom N of residue 124
LYS
Atom CA of residue 110
Atom CA of residue 475
Atom C of residue 102
Atom CB of residue 113
Atom CB of residue 554
Atom CA of residue 164
Atom CA of residue 329
Atom O of residue 511
Atom N of residue 80
LEU
Atom CB of residue 494
Atom CA of residue 466
Atom CA of residue 14
Atom N of residue 130
Atom CA of residue 2640
SER
LYS
Atom CA of residue 61
Atom CA of residue 6
GLU
THR
Atom CB of residue 81
Atom N of residue 25
LYS
Atom CB of residue 115
Atom CE1 of residue 11
Atom C of residue 79
SER
ASN
LYS
Atom CA of residue 496
GLU
PRO
ALA
Atom N of residue 486
THR
LYS
Atom C of residue 577
Atom CA of residue 531
Atom CA of residue 135
Atom CA of residue 537
TRP
Atom ND2 of residue 85
Atom O of residue 37
Atom C of residue 123
Atom OG of residue 471
SampledDensityMap60
LYS
Atom CB of residue 518
ARG
SampledDensityMap0
LEU
Atom CG of residue 543
Atom CA of residue 2638
Atom CA of residue 541
CYS
Atom CA of residue 2
PHE
Atom N of residue 112
Atom CA of residue 6
ALA
Atom N of residue 24
Atom CA of residue 469
ASP
Atom CG1 of residue 494
Atom CA of residue 476
THR
Atom CA of residue 13
THR
Atom CA of residue 109
PRO
Atom CA of residue 72
Atom CA of residue 4
ASP
ALA
Chain A
Atom CA of residue 554
Atom C of residue 12
Atom CA of residue 108
ASN
Atom CA of residue 24
SER
VAL
Atom CA of residue 144
Atom CB of residue 511
Atom N of residue 86
Atom CA of residue 503
Atom O of residue 102
GLN
Atom CA of residue 442
ARG
PRO
ASP
Atom CA of residue 321
VAL
Atom CD1 of residue 53
Atom CA of residue 264
Atom CA of residue 155
Atom O of residue 58
THR
Atom CA of residue 526
Atom CG of residue 113
Atom CA of residue 5
Atom CA of residue 60
ALA
LYS
Atom CA of residue 112
Atom OD1 of residue 543
GLY
Atom CA of residue 62
Atom CA of residue 119
Atom CB of residue 37
TYR
Atom CD of residue 32
Atom CA of residue 245
Atom O of residue 577
Atom N of residue 583
Atom CA of residue 132
LEU
Atom CA of residue 72
ALA
Atom CA of residue 13
Atom CA of residue 486
PRO
Atom CA of residue 112
Atom CA of residue 76
SER
ASP
VAL
Atom CA of residue 111
ILE
Atom CA of residue 26
ASN
Atom CA of residue 552
MET
Atom CA of residue 165
Atom N of residue 555
Atom O of residue 79
Atom CB of residue 58
Atom C of residue 24
Atom CA of residue 130
Atom CA of residue 515
Atom CA of residue 20
Atom CD of residue 8
ALA
VAL
ALA
GLU
TYR
Atom N of residue 495
Atom C of residue 108
Atom CA of residue 71
ARG
Atom O of residue 123
GLU
Atom O of residue 41
Atom N of residue 472
Atom CA of residue 86
Atom CA of residue 73
Atom CB of residue 102
THR
Atom CA of residue 330
Atom C of residue 13
ILE
Atom C of residue 435
Atom CA of residue 21
Atom CA of residue 437
Atom CG1 of residue 518
LEU
Atom CA of residue 145
Atom CA of residue 25
Atom CE2 of residue 11
Atom CA of residue 80
Atom CA of residue 122
THR
Atom CA of residue 124
ALA
PRO
Atom CD of residue 113
HIS
TRP
Atom C of residue 486
Atom CA of residue 73
LEU
Atom ND2 of residue 543
Atom OG1 of residue 511
Atom CA of residue 532
Atom CB of residue 41
THR
Atom CA of residue 538
Atom CA of residue 470
Atom CD2 of residue 53
Atom CB of residue 79
Atom CA of residue 27
Atom CA of residue 130
Atom CB of residue 123
python stream
TYR
Atom CA of residue 443
PRO
GLY
PRO
GLU
LEU
Atom N of residue 19
VAL
Atom CA of residue 63
GLU
ARG
GLU
Atom CA of residue 542
Atom O of residue 435
Atom CZ of residue 11
Atom C of residue 89
VAL
SER
Atom CG2 of residue 494
Atom C of residue 25
Atom CA of residue 555
Atom CA of residue 504
Atom CA of residue 438
Atom CA of residue 110
Atom CG of residue 58
Atom O of residue 24
Atom OG of residue 37
Atom C of residue 80
TYR
LYS
ILE
Atom CA of residue 133
Atom CA of residue 322
Atom O of residue 108
Atom CA of residue 23
GLU
Atom CA of residue 527
ALA
Atom CA of residue 28
Atom C of residue 124
Atom CA of residue 281
LEU
Atom CA of residue 497
Atom C of residue 130
Atom CA of residue 265
Atom CG of residue 41
Atom CA of residue 4
LEU
PRO
Atom CA of residue 497
Atom OH of residue 11
Atom CA of residue 21
Atom CA of residue 120
ASN
Atom CA of residue 24
Atom CG1 of residue 123
ILE
MET
PRO
Atom CG of residue 79
Atom CA of residue 73
Atom CB of residue 435
Atom CA of residue 61
Atom CG2 of residue 511
Atom CA of residue 555
Atom O of residue 486
Atom C of residue 464
Atom CA of residue 113
PRO
Atom CA of residue 11
Atom N of residue 544
Atom CA of residue 583
LEU
Atom CA of residue 246
Atom CA of residue 2637
Atom CA of residue 3
Atom CA of residue 52
Atom O of residue 13
Atom CG2 of residue 518
Atom CG of residue 24
Atom N of residue 12
PRO
PRO
Atom CA of residue 553
Atom CA of residue 75
Atom CA of residue 166
Atom CA of residue 18
Atom CA of residue 436
LYS
Atom CB of residue 108
VAL
ALA
Atom CA of residue 516
Atom O of residue 80
SER
VAL
Atom CD2 of residue 41
Atom O of residue 89
Atom CA of residue 477
Atom CA of residue 72
Atom CA of residue 123
Atom CA of residue 112
Atom CA of residue 495
Atom C of residue 12
Atom O of residue 25
SER
Atom CA of residue 64
Atom CG of residue 102
Atom OE1 of residue 113
LEU
Atom C of residue 24
ASP
Atom NE1 of residue 53
Atom CA of residue 331
Atom CA of residue 498
Atom O of residue 130
LEU
Atom C of residue 448
SER
Atom CA of residue 43
Atom CB of residue 13
Atom O of residue 124
THR
Atom CD2 of residue 24
HIS
Atom OG of residue 435
Atom C of residue 112
ARG
Atom CA of residue 134
Atom N of residue 577
LEU
Atom CA of residue 74
Atom N of residue 38
PHE
Atom CG of residue 108
Atom C of residue 583
PRO
Atom CA of residue 2663
Atom CA of residue 70
ALA
GLN
Atom CA of residue 533
Atom CD1 of residue 58
Atom N of residue 512
Atom CA of residue 539
AccumulateRigidBodyDerivatives9
Atom ND1 of residue 79
PHE
PHE
THR
LYS
THR
Atom C of residue 555
Atom CA of residue 22
PRO
Atom CB of residue 486
Atom CA of residue 8
Atom CA of residue 544
Atom CA of residue 444
Atom CG2 of residue 25
Atom CA of residue 76
Atom CA of residue 543
LYS
Atom C of residue 86
SER
Atom O of residue 112
Atom CG2 of residue 123
PRO
Atom NE1 of residue 41
GLU
Atom O of residue 12
LEU
LEU
GLN
Atom OD1 of residue 102
Atom OE2 of residue 113
Atom CA of residue 498
Atom CA of residue 71
Atom CA of residue 111
PRO
Atom CG2 of residue 24
Atom CZ of residue 13
Atom NZ of residue 76
Atom N of residue 519
ARG
Atom CA of residue 472
Atom CE1 of residue 24
Atom CA of residue 435
ASP
Atom CA of residue 30
Atom O of residue 448
Atom CG of residue 13
PHE
Atom CA of residue 505
GLN
LEU
Atom CA of residue 323
python stream rigid body rigid body positions
Atom CA of residue 577
ASP
Atom CA of residue 556
LYS
TYR
Atom CB of residue 89
Atom CA of residue 282
CYS
Model 4
Atom CA of residue 266
ILE
Atom CB of residue 130
Atom CA of residue 29
Atom CD2 of residue 58
GLY
Atom CA of residue 528
Atom CB of residue 124
Atom CA of residue 74
Atom CA of residue 65
Atom CA of residue 62
ALA
Atom CG2 of residue 486
Atom CB of residue 112
Atom CA of residue 12
Atom CB of residue 80
LEU
Atom CA of residue 103
Atom CE2 of residue 53
Atom CD2 of residue 79
Atom O of residue 583
Atom CA of residue 121
SER
Atom CA of residue 44
HIS
PHE
Atom CA of residue 124
Atom CA of residue 114
Atom N of residue 25
python stream rigid body
Atom CA of residue 469
HIS
ARG
Atom CA of residue 167
Atom OD2 of residue 102
ASN
Atom CG of residue 115
Atom CA of residue 18
Atom CA of residue 552
Atom O of residue 86
Atom N of residue 436
Atom CA of residue 114
LEU
Atom C of residue 472
SER
Atom CB of residue 576
ALA
Atom SD of residue 108
Atom CA of residue 53
Atom CA of residue 478
Atom CA of residue 74
Atom CA of residue 152
MET
Atom N of residue 124
GLU
GLN
SER
Atom CA of residue 2666
Atom CA of residue 23
Atom C of residue 495
Atom CA of residue 554
SER
mol_1 rigid body rigid body positions
Atom CA of residue 247
Atom CA of residue 17
Atom CG1 of residue 89
Atom O of residue 555
GLN
ARG
ALA
LYS
Atom CB of residue 86
ALA
Atom CA of residue 332
Atom N of residue 114
Atom NH1 of residue 13
TRP
Atom CA of residue 75
Atom CA of residue 72
Atom CE2 of residue 41
Atom CE3 of residue 53
Atom N of residue 26
PRO
MET
Atom C of residue 544
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
MET
Atom CA of residue 126
Chain A
GLY
ARG
Atom CE1 of residue 58
Atom C of residue 40
ASP
Atom C of residue 38
GLU
VAL
SER
Atom CG of residue 124
PRO
Atom N of residue 103
ARG
GLU
GLU
Atom CG of residue 80
Atom O of residue 576
Atom OG of residue 7
Atom O of residue 472
Atom CG1 of residue 486
Atom CA of residue 11
Atom CA of residue 534
GLU
TRP
SER
Atom CB of residue 448
Atom CA of residue 499
Atom CG of residue 130
Atom CA of residue 512
Atom CA of residue 124
Atom NH2 of residue 13
THR
Atom CA of residue 540
Atom CA of residue 445
PRO
Atom CA of residue 439
Chain D
ALA
Atom CA of residue 557
Atom CB of residue 583
TYR
Atom CD of residue 13
PRO
ALA
THR
Atom CB of residue 555
PRO
Atom CA of residue 519
Atom CG1 of residue 86
Atom CA of residue 544
SER
Atom CA of residue 23
Atom CE of residue 108
Atom CE2 of residue 24
ILE
Atom CA of residue 16
Atom CB of residue 150
Atom CA of residue 506
ARG
Atom CA of residue 104
CYS
SER
Atom CE3 of residue 41
Atom CZ2 of residue 53
Atom CA of residue 112
Atom C of residue 444
ARG
Atom CA of residue 324
Atom CG2 of residue 89
Atom CG1 of residue 112
Atom CA of residue 7
GLN
Atom CA of residue 38
Atom CA of residue 115
Atom N of residue 77
Atom CA of residue 283
Atom CA of residue 24
Atom CA of residue 24
Atom CA of residue 267
Atom CA of residue 529
PRO
Atom CA of residue 75
Atom CA of residue 14
LEU
Atom CA of residue 87
Atom CZ of residue 8
ALA
Atom CB of residue 472
Atom CA of residue 122
Atom N of residue 14
Atom O of residue 544
ARG
ASN
Atom OD1 of residue 124
MET
Atom CA of residue 499
Atom CA of residue 25
Atom CA of residue 470
Atom CA of residue 553
Atom CA of residue 63
ASN
Atom CA of residue 248
Atom CA of residue 440
ARG
GLN
Atom CA of residue 115
Atom O of residue 495
Atom N of residue 151
HIS
ASP
GLY
mol_2
PHE
SER
Atom O of residue 462
Atom CA of residue 109
Atom OG1 of residue 583
Atom CE2 of residue 58
Atom CA of residue 54
Atom CA of residue 479
Atom CG of residue 448
Atom CD of residue 130
LYS
Atom O of residue 444
Atom CA of residue 114
Atom CA of residue 555
PRO
Atom C of residue 519
GLY
Atom CA of residue 22
Atom NE of residue 13
Atom CZ3 of residue 53
ILE
Atom CA of residue 2667
Atom CG of residue 555
SER
Atom CA of residue 8
LEU
Atom O of residue 512
Atom CD of residue 80
ILE
Atom CA of residue 153
Atom CA of residue 315
THR
SER
Atom N of residue 487
GLY
SER
ALA
ASP
Atom CA of residue 132
ARG
Atom CE1 of residue 79
Atom N of residue 473
TRP
Atom CA of residue 333
Atom O of residue 38
VAL
Atom CZ2 of residue 41
Atom N of residue 90
PRO
Atom CA of residue 127
Atom CA of residue 125
TRP
GLN
Atom CB of residue 117
Atom NH1 of residue 8
VAL
Atom CA of residue 267
SER
LEU
Atom CB of residue 462
Atom CD1 of residue 24
SER
Atom CA of residue 500
HIS
MET
Atom CA of residue 151
Atom CB of residue 444
Atom CG2 of residue 86
Atom CA of residue 74
LEU
Atom CB of residue 544
Atom CA of residue 535
Atom CA of residue 19
Atom CG2 of residue 583
Atom ND2 of residue 124
VAL
TYR
Atom CA of residue 35
ILE
Atom CA of residue 25
Atom CA of residue 541
THR
Atom CA of residue 5
Atom CG2 of residue 112
PRO
Atom CA of residue 134
ASP
Atom CA of residue 446
Atom CH2 of residue 53
GLU
Atom CB of residue 512
Atom CA of residue 558
Atom CA of residue 545
Atom CA of residue 24
Atom N of residue 81
LEU
Atom O of residue 519
LYS
Atom C of residue 115
Atom C of residue 114
Atom N of residue 39
Atom CA of residue 21
Atom CA of residue 2
Atom CB of residue 495
Atom CA of residue 6
Atom CA of residue 113
Atom CA of residue 18
Atom CA of residue 103
Atom CD1 of residue 555
VAL
Atom CA of residue 73
Atom CZ of residue 58
GLU
SER
Atom CA of residue 436
Atom CA of residue 19
GLY
Atom O of residue 24
Atom C of residue 124
Atom CA of residue 317
GLN
Atom CA of residue 133
MET
Atom CA of residue 325
Atom CB of residue 25
Atom N of residue 109
Atom CA of residue 473
Atom CA of residue 507
ARG
Atom CA of residue 39
Atom CD of residue 448
Atom CA of residue 284
Atom CA of residue 88
ASP
Atom CA of residue 268
Atom CA of residue 105
GLN
LYS
Atom CG of residue 62
Atom CZ3 of residue 41
GLU
Atom N of residue 584
ILE
Atom CA of residue 25
Atom CA of residue 70
ILE
Atom NE2 of residue 79
TYR
Atom CA of residue 500
Atom OE1 of residue 130
Atom CA of residue 530
VAL
Atom CA of residue 471
Atom N of residue 87
Atom CA of residue 75
Atom CA of residue 64
LEU
Atom CA of residue 135
Atom CZ of residue 13
ALA
Atom CA of residue 123
Atom CA of residue 454
Atom N of residue 113
Atom CA of residue 10
Atom CA of residue 25
LEU
Atom CA of residue 249
Atom CB of residue 519
Atom CG1 of residue 587
Atom N of residue 125
Atom CA of residue 480
PRO
Atom CA of residue 23
Atom C of residue 512
TYR
GLU
MET
Atom C of residue 436
Atom CA of residue 437
Atom CG of residue 462
Atom CA of residue 13
PHE
LEU
Atom C of residue 103
Atom CA of residue 116
SER
Atom N of residue 59
ARG
mol0 rigid body
Atom CA of residue 26
Atom CA of residue 21
Atom CG of residue 444
Atom CA of residue 55
Atom CB of residue 24
Atom CA of residue 154
Chain A
GLU
LEU
LEU
LEU
SER
SER
Atom NE of residue 448
Atom CA of residue 39
LEU
Atom CA of residue 556
Atom O of residue 114
Atom CB of residue 24
Atom O of residue 33
GLN
Atom CA of residue 268
LYS
Atom CA of residue 55
Atom CA of residue 501
Atom CA of residue 22
ASP
Atom CD1 of residue 89
Atom CA of residue 126
Atom N of residue 80
Atom CA of residue 334
Atom NE2 of residue 130
LYS
Atom CA of residue 113
TYR
SER
LEU
GLU
LEU
ALA
Atom CG of residue 495
LEU
ILE
GLU
LYS
Atom CA of residue 139
LEU
Atom CH2 of residue 41
Atom N of residue 54
Atom CA of residue 513
Atom CA of residue 584
PHE
PHE
Atom CA of residue 128
Atom N of residue 123
Atom CG of residue 544
GLY
Atom CG1 of residue 25
Atom CA of residue 52
Atom CA of residue 134
Atom CG of residue 33
Atom CA of residue 125
Atom O of residue 436
Atom CA of residue 42
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
Atom CA of residue 438
PRO
PRO
SER
Atom CA of residue 44
Atom O of residue 124
Atom CA of residue 16
Atom CA of residue 536
GLY
Atom CA of residue 487
LYS
Atom CA of residue 542
Atom CA of residue 559
Atom CA of residue 510
Atom CZ of residue 448
Atom CA of residue 13
Atom CA of residue 502
GLY
ALA
PHE
Atom NH1 of residue 13
GLN
Atom OD1 of residue 462
Atom CA of residue 106
Atom CA of residue 89
LYS
Atom O of residue 103
GLN
Atom CA of residue 81
Atom CA of residue 4
Atom CA of residue 546
Atom CA of residue 2
Atom CD2 of residue 555
ARG
VAL
Atom CG of residue 146
Atom CA of residue 74
LEU
Atom CA of residue 2664
VAL
Atom CA of residue 447
Atom CG of residue 519
ALA
ARG
Atom CB of residue 114
Atom OG1 of residue 24
Atom CA of residue 72
Atom CA of residue 326
Atom CA of residue 114
CYS
TRP
GLN
Atom CG of residue 119
LYS
Atom CA of residue 27
Atom CA of residue 90
Atom CB of residue 436
ARG
PRO
Atom CD of residue 33
Atom ND1 of residue 544
Atom CA of residue 269
UpdateRigidBodyMembers9
LYS
PRO
Atom CA of residue 531
Atom O of residue 13
Atom CG2 of residue 587
Atom CD of residue 444
ARG
Atom C of residue 109
ALA
Atom CA of residue 24
Atom CA of residue 19
CYS
Atom CA of residue 285
Atom CA of residue 124
ASP
TYR
GLU
Atom N of residue 15
Atom CA of residue 481
Atom N of residue 131
Atom CB of residue 124
VAL
LEU
ILE
Atom CA of residue 113
Atom CA of residue 501
PRO
Atom CA of residue 250
Atom CA of residue 65
TRP
Atom NH2 of residue 13
VAL
ALA
ALA
MET
Atom C of residue 487
ALA
Atom CA of residue 117
Atom C of residue 81
Atom CA of residue 511
VAL
GLY
Atom N of residue 556
Atom CA of residue 127
Atom OD1 of residue 495
LEU
Atom CA of residue 514
Atom CA of residue 80
Atom C of residue 151
GLY
Atom CA of residue 56
LEU
Atom CA of residue 135
Atom CA of residue 557
Atom CB of residue 13
Atom C of residue 473
PRO
PHE
Atom CA of residue 37
GLU
HIS
LEU
Atom CB of residue 103
Atom CA of residue 140
Atom CD1 of residue 119
Atom NE of residue 33
Atom CA of residue 519
Atom CD2 of residue 544
LEU
LYS
Atom CA of residue 269
Atom CA of residue 155
Atom CA of residue 25
Atom CA of residue 50
PRO
Atom CA of residue 73
Atom CA of residue 335
Atom CA of residue 69
ASN
ALA
Atom OXT of residue 587
Atom CA of residue 87
ALA
LYS
ALA
Atom OG of residue 124
Atom CA of residue 123
ASN
ALA
Atom CG of residue 13
Atom CA of residue 318
GLU
ILE
Atom CA of residue 73
Atom N of residue 14
LEU
Atom CD1 of residue 41
Atom C of residue 80
Atom O of residue 151
Atom CA of residue 59
Atom CG of residue 114
Atom CA of residue 28
Atom OD2 of residue 462
mol0 rigid body rigid body positions
Atom CA of residue 27
ALA
Atom O of residue 81
Atom CA of residue 537
Atom CA of residue 14
Atom OE1 of residue 444
Atom CA of residue 563
Atom CA of residue 90
Atom CA of residue 74
ALA
Atom CA of residue 543
Atom CA of residue 47
Atom OD2 of residue 495
Atom ND1 of residue 519
ALA
Atom O of residue 487
LEU
SER
Atom CA of residue 448
Atom CD of residue 13
Atom CA of residue 2665
Atom CZ of residue 33
LEU
Atom CA of residue 560
Atom O of residue 473
GLY
ASN
GLU
Atom CA of residue 547
Atom CA of residue 57
Atom CE1 of residue 544
ASP
Atom CA of residue 130
Atom CA of residue 107
PRO
Atom CA of residue 475
Atom C of residue 125
PHE
Atom C of residue 59
Atom OG1 of residue 436
PRO
ASN
Atom C of residue 87
Atom CA of residue 73
Atom NH1 of residue 448
Atom C of residue 113
GLN
Atom C of residue 39
Atom CA of residue 520
Atom CA of residue 115
Atom CA of residue 75
Atom CB of residue 151
Atom CD2 of residue 119
Atom CG of residue 80
Atom O of residue 109
ALA
GLN
Atom CA of residue 14
Atom CA of residue 131
ARG
Atom CA of residue 327
ALA
Atom CD of residue 13
ASN
Atom CA of residue 4
Atom CA of residue 54
PRO
THR
Atom CA of residue 270
Atom C of residue 14
PHE
Atom CA of residue 76
Atom N of residue 463
Atom O of residue 80
Atom CA of residue 556
Atom OE2 of residue 444
Atom CA of residue 482
GLU
Atom C of residue 123
ARG
Atom CD2 of residue 519
Atom CB of residue 473
Atom C of residue 584
Atom CA of residue 286
Atom CA of residue 502
Atom CA of residue 532
LEU
Atom CA of residue 15
GLY
TRP
Atom CA of residue 15
Atom CA of residue 251
ASN
Atom CA of residue 86
Atom CA of residue 129
Atom CA of residue 125
Atom CA of residue 51
HIS
VAL
Atom CA of residue 435
Atom CA of residue 132
Atom N of residue 496
ALA
Atom O of residue 59
Atom CB of residue 487
THR
Atom N of residue 125
Atom CA of residue 128
ARG
Atom CB of residue 109
Atom O of residue 87
Atom CA of residue 135
GLN
Atom NH2 of residue 448
Atom O of residue 39
Atom CA of residue 29
Atom CG of residue 151
Atom O of residue 125
Atom CA of residue 118
Atom CA of residue 141
Atom CG of residue 103
VAL
SER
Atom O of residue 14
ALA
Atom CA of residue 57
Atom CA of residue 508
Atom CA of residue 156
Atom CA of residue 75
LYS
Atom C of residue 54
GLY
Atom CA of residue 17
LYS
GLN
VAL
Atom CA of residue 558
Atom CA of residue 270
Atom CA of residue 70
Atom CE1 of residue 519
HIS
Atom CA of residue 10
Atom O of residue 584
GLY
Atom CD of residue 114
Atom C of residue 556
GLU
ASP
Atom CA of residue 336
Atom C of residue 131
Atom CA of residue 503
Atom NE of residue 13
Atom CA of residue 319
ASN
ILE
Atom C of residue 15
Atom C of residue 22
LEU
Atom CA of residue 445
Atom CA of residue 42
Atom N of residue 120
LYS
THR
GLN
TYR
Atom CB of residue 59
ILE
PHE
Atom CA of residue 14
Atom CB of residue 81
SER
Atom CA of residue 564
Atom CA of residue 91
Atom O of residue 113
Atom CB of residue 39
Atom CA of residue 77
GLY
Atom CA of residue 48
ALA
Atom CA of residue 9
Atom CA of residue 136
Atom O of residue 123
Atom CD of residue 80
Atom CA of residue 453
Atom NE of residue 13
Atom OG of residue 109
Atom CA of residue 561
PHE
LYS
Atom CB of residue 33
Atom CA of residue 133
ALA
ASN
ARG
SER
CoarseCC4
Atom CD1 of residue 103
ASN
Atom CA of residue 32
Atom CA of residue 538
LEU
HIS
Atom CA of residue 21
Atom CA of residue 131
Atom CA of residue 544
GLY
Atom CB of residue 584
Atom CG of residue 487
ARG
Atom CA of residue 108
LEU
Atom N of residue 449
ARG
Atom N of residue 568
Atom CB of residue 125
Atom NE of residue 114
Atom CB of residue 113
PRO
LYS
Atom O of residue 567
Atom CA of residue 548
Atom CD1 of residue 512
SER
Atom CA of residue 76
Atom NE2 of residue 544
Atom CA of residue 3
ALA
Atom O of residue 54
Atom O of residue 15
LEU
Atom CA of residue 58
Atom CA of residue 328
Atom O of residue 22
Atom CA of residue 561
Atom CG of residue 473
Atom CA of residue 136
THR
Atom CA of residue 33
LYS
Atom CA of residue 463
Atom CA of residue 560
ALA
Atom CA of residue 116
Atom CB of residue 80
Atom O of residue 556
ILE
PHE
Atom C of residue 14
Atom CA of residue 271
Atom CA of residue 483
Atom CA of residue 43
LEU
Atom CA of residue 21
Atom N of residue 14
MapReaderWriter38
Atom CG2 of residue 436
Atom O of residue 131
Atom CZ of residue 13
Atom CA of residue 533
PRO
Atom CB of residue 87
Atom CA of residue 4
CYS
Atom CG of residue 81
Atom NE2 of residue 519
Atom CA of residue 287
ARG
MET
Atom N of residue 445
Atom CA of residue 54
Atom CD2 of residue 103
Atom CA of residue 126
Atom CA of residue 16
MET
PRO
Atom CD of residue 151
Atom CA of residue 26
HIS
Atom CG of residue 584
ILE
Atom CA of residue 503
Atom CB of residue 123
Atom NE of residue 80
Atom CB of residue 15
LEU
Atom CA of residue 78
TYR
Atom CZ of residue 114
Atom CG of residue 113
Atom CA of residue 119
Atom CA of residue 142
Atom CD2 of residue 18
Atom CA of residue 252
Atom CA of residue 472
Atom CA of residue 11
THR
GLN
Atom CA of residue 59
Atom CA of residue 504
Atom CD2 of residue 512
PRO
Atom CA of residue 5
Atom CA of residue 9
Atom CB of residue 22
ALA
LEU
Atom CA of residue 58
ILE
Atom CD of residue 487
Atom N of residue 545
Atom CA of residue 449
LEU
Atom CA of residue 134
MET
Atom CA of residue 559
Atom CB of residue 54
Atom CA of residue 71
Atom CA of residue 436
GLY
ILE
Atom N of residue 110
Atom CG2 of residue 125
Atom N of residue 437
Atom O of residue 14
VAL
Atom CA of residue 563
Atom CA of residue 271
Atom CA of residue 565
GLU
ASN
ILE
ALA
Atom CG of residue 80
P0
Atom CA of residue 337
Atom CG of residue 39
Atom N of residue 19
Atom CA of residue 129
Atom CD1 of residue 473
Atom CA of residue 28
Atom CA of residue 76
Atom C of residue 463
Atom C of residue 560
Atom CA of residue 8
LYS
Atom CA of residue 18
Atom CA of residue 27
Atom NE1 of residue 103
ALA
Atom CB of residue 9
Atom CG of residue 59
PRO
Atom CA of residue 137
ASN
Atom CB of residue 131
Atom CA of residue 320
GLU
ARG
Atom CA of residue 35
Atom CA of residue 356
ARG
Atom CG of residue 87
LYS
SER
GLY
Atom CA of residue 4
Atom CA of residue 137
Atom CA of residue 72
VAL
VAL
Atom CA of residue 34
ALA
Atom CA of residue 521
Atom CA of residue 539
THR
Atom OE1 of residue 151
TYR
Atom CA of residue 92
GLU
MET
Atom CA of residue 545
Atom CA of residue 49
LEU
PHE
ASN
Atom O of residue 437
THR
Atom CA of residue 77
Atom CA of residue 120
Atom CZ of residue 80
Atom CA of residue 562
VAL
ILE
ASP
Atom CG1 of residue 125
PHE
Atom CA of residue 11
Atom CA of residue 22
Atom O of residue 116
ALA
Atom CA of residue 109
Atom N of residue 520
Atom CA of residue 549
Atom CA of residue 449
Atom CE1 of residue 512
Atom CA of residue 79
LEU
Atom NE of residue 487
Atom CB of residue 556
Atom CA of residue 6
ALA
Atom CA of residue 7
Atom CG1 of residue 123
Atom CA of residue 10
Atom CD1 of residue 584
Atom CA of residue 125
Atom CA of residue 39
Atom CA of residue 117
ASP
Atom N of residue 16
PHE
Atom CD1 of residue 81
TRP
Atom CA of residue 329
Atom C of residue 8
LEU
LYS
Atom CA of residue 484
Atom CD of residue 113
LEU
Atom CG of residue 9
ASP
Atom CA of residue 40
VAL
Atom CA of residue 272
Atom CA of residue 23
Atom NH1 of residue 114
LYS
PRO
Atom O of residue 560
Atom OE1 of residue 54
TYR
Atom CA of residue 69
Atom CB of residue 437
Atom CA of residue 77
Atom CA of residue 288
PHE
Atom CA of residue 545
PRO
GLU
Atom CA of residue 450
Atom CA of residue 504
Atom C of residue 125
Atom CA of residue 534
Atom CG of residue 22
Atom CA of residue 505
GLY
LEU
Atom CD of residue 39
Atom CA of residue 143
Atom CB of residue 14
MET
Model 20
Atom C of residue 115
Atom CA of residue 34
Atom CA of residue 6
Atom CA of residue 473
Atom CA of residue 127
Atom OE2 of residue 32
LEU
Atom O of residue 463
ALA
Atom CD of residue 59
Atom CA of residue 27
ALA
Atom N of residue 132
PHE
Atom CD2 of residue 473
ASP
Atom CA of residue 72
Atom CD of residue 80
Atom CD1 of residue 87
Atom CA of residue 16
Atom CA of residue 509
ILE
Atom CA of residue 120
Atom CD2 of residue 81
Atom CA of residue 35
MET
THR
Atom CG of residue 571
Atom C of residue 120
Atom CA of residue 59
Atom O of residue 146
Atom CZ of residue 487
Atom CA of residue 437
SER
Atom N of residue 55
GLN
Atom CA of residue 272
Atom CA of residue 566
Atom CA of residue 78
Atom CA of residue 253
Atom CA of residue 560
TYR
Atom CA of residue 14
UpdateRigidBodyMembers1
PRO
Atom CA of residue 173
Atom NH2 of residue 114
Atom NH1 of residue 80
Atom CA of residue 338
GLU
Atom CA of residue 74
Atom CA of residue 581
Atom OE1 of residue 113
Atom CA of residue 7
GLY
Atom NE2 of residue 151
ASN
Atom C of residue 449
Atom N of residue 557
Atom CA of residue 321
ASN
Atom C of residue 445
Atom CD1 of residue 125
MET
TYR
Atom C of residue 19
GLU
SER
Atom CA of residue 357
Atom CD2 of residue 584
GLY
Atom CA of residue 29
Atom CA of residue 476
SER
Atom CE2 of residue 512
Atom O of residue 125
Atom OE2 of residue 54
python stream
Atom CA of residue 25
TRP
Atom CE2 of residue 103
SER
ILE
Atom C of residue 545
Atom CA of residue 50
SER
Atom CE1 of residue 473
Atom CE of residue 59
Atom CG2 of residue 123
LYS
Atom NE of residue 80
PRO
PHE
TYR
Atom OG1 of residue 14
THR
Atom CA of residue 443
GLU
Atom CA of residue 563
Atom CA of residue 522
ILE
Atom CB of residue 463
Atom CA of residue 540
LYS
ALA
ILE
Atom CA of residue 546
Atom NH2 of residue 80
MET
ALA
Atom N of residue 40
Atom O of residue 19
Atom C of residue 496
LEU
Atom CA of residue 487
GLY
Atom CA of residue 36
Atom O of residue 120
Atom CD1 of residue 22
Atom NH2 of residue 8
ARG
Atom CE2 of residue 155
LEU
Atom CA of residue 78
Atom CA of residue 550
ASN
Atom CA of residue 3
Atom CD of residue 571
Atom CA of residue 41
VAL
Atom CG of residue 437
LYS
Atom CA of residue 145
PRO
Atom CA of residue 330
PHE
Atom CA of residue 10
Atom CB of residue 125
Atom CA of residue 451
Atom CA of residue 24
ALA
Atom CA of residue 56
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.em
Atom CA of residue 273
SER
Atom CA of residue 110
Atom CA of residue 118
PRO
LEU
Atom CA of residue 110
Atom CE3 of residue 103
Atom N of residue 82
VAL
VAL
ALA
GLN
Atom CA of residue 535
Atom CA of residue 520
Atom NZ of residue 59
GLU
Atom N of residue 124
PRO
Atom CA of residue 69
Atom CA of residue 75
Atom CA of residue 438
ARG
VAL
PRO
Atom CA of residue 128
THR
Atom CA of residue 30
MET
Atom N of residue 152
Atom CZ of residue 87
Atom CA of residue 28
Atom O of residue 545
VAL
ILE
Atom CA of residue 289
Atom CA of residue 505
Atom CZ of residue 155
Atom CA of residue 254
Atom O of residue 449
Atom CA of residue 506
Atom CA of residue 121
Atom CB of residue 6
Atom CD of residue 54
LEU
TYR
TRP
Atom N of residue 115
Atom CG of residue 125
Atom CA of residue 61
Atom CA of residue 60
Atom CA of residue 146
Atom CA of residue 557
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
ASP
VAL
Atom C of residue 19
Atom CA of residue 499
Atom O of residue 445
Atom CA of residue 569
CYS
Atom O of residue 496
Atom CA of residue 561
Atom C of residue 110
Atom CA of residue 73
Atom CB of residue 120
LYS
PHE
GLU
Atom CA of residue 273
Atom CG of residue 567
Atom N of residue 126
Atom CA of residue 567
Atom C of residue 520
Atom CZ of residue 80
LYS
Atom CA of residue 174
Atom CZ2 of residue 103
Atom CZ of residue 512
Atom CG2 of residue 14
PHE
Atom OG1 of residue 463
Atom CA of residue 339
ASP
Atom CA of residue 81
Atom CA of residue 132
Atom C of residue 10
Atom CB of residue 19
SER
Atom CA of residue 525
PRO
ALA
THR
Atom C of residue 16
Atom CA of residue 15
Atom N of residue 585
Atom OH of residue 87
Atom CA of residue 81
LEU
Atom C of residue 76
Atom CB of residue 449
Atom CA of residue 98
ASN
Atom CA of residue 358
THR
Atom NH1 of residue 487
Atom OE2 of residue 113
SER
Atom N of residue 156
Atom CA of residue 322
Atom CA of residue 25
Atom CA of residue 582
Atom CA of residue 60
TYR
ARG
SER
GLU
Atom CA of residue 37
Atom CD2 of residue 22
Atom CE2 of residue 473
Atom CA of residue 157
Atom CA of residue 26
Atom CA of residue 488
SER
Atom CA of residue 541
Atom CG of residue 6
Atom C of residue 557
Atom CA of residue 547
Atom CA of residue 51
Atom N of residue 81
Atom CA of residue 564
Atom CB of residue 445
GLU
Atom CA of residue 40
LYS
Atom CB of residue 545
LYS
Atom O of residue 110
Atom CA of residue 5
PHE
ASP
Atom CA of residue 82
Atom CA of residue 37
Atom CA of residue 444
Atom CA of residue 111
Atom CA of residue 27
LEU
LYS
Atom CA of residue 17
LYS
Atom CA of residue 31
GLN
GLN
Atom CA of residue 551
Atom CA of residue 103
Atom CA of residue 17
Atom CZ of residue 115
Atom N of residue 513
Atom N of residue 15
GLU
Atom CG2 of residue 463
ALA
TYR
LEU
Atom CG of residue 19
Atom CE1 of residue 22
Atom CA of residue 79
Atom O of residue 19
Atom C of residue 132
Atom CA of residue 124
Atom CA of residue 71
Atom CA of residue 176
ASN
Atom N of residue 5
Atom CB of residue 12
Atom CA of residue 331
Atom CA of residue 119
TYR
VAL
Atom CA of residue 77
ASN
Atom CA of residue 452
Atom CZ3 of residue 103
LYS
Atom CA of residue 274
Atom CB of residue 496
GLN
ARG
Atom NH2 of residue 487
Atom CD of residue 125
SER
Atom CA of residue 29
Atom CA of residue 2632
Atom CA of residue 238
Atom CA of residue 82
ILE
Atom CZ of residue 473
Atom CA of residue 12
Atom CG of residue 120
HIS
LEU
Atom NH1 of residue 80
Atom O of residue 147
Atom N of residue 114
Atom C of residue 40
LEU
Atom CA of residue 449
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom O of residue 520
Atom CB of residue 110
Atom CA of residue 152
Atom CG of residue 449
Atom CA of residue 147
ASP
LEU
Atom CG of residue 445
Atom CA of residue 30
ASP
Atom CA of residue 506
Atom CA of residue 536
Atom CA of residue 507
Atom CA of residue 38
ALA
PRO
Atom N of residue 60
Atom CA of residue 290
PRO
Atom CA of residue 255
GLN
Atom CA of residue 126
Atom CA of residue 129
LEU
ILE
Atom CA of residue 62
Atom O of residue 557
Atom CG of residue 12
THR
Atom CD1 of residue 6
Atom CA of residue 29
LEU
PHE
PHE
Atom CA of residue 74
ALA
GLU
Atom N of residue 497
Atom CE2 of residue 87
Atom CA of residue 177
Atom CA of residue 122
Atom CA of residue 55
Atom CB of residue 19
Atom O of residue 16
Atom CA of residue 437
Atom C of residue 82
GLY
Atom N of residue 464
Atom CA of residue 274
Atom CA of residue 61
Atom CA of residue 568
Atom N of residue 488
GLU
Atom CD of residue 19
Atom CA of residue 102
Atom CA of residue 144
PHE
LEU
Atom CA of residue 500
TRP
Atom O of residue 132
LYS
Atom C of residue 124
ASN
Atom CG of residue 545
Atom CA of residue 562
Atom N of residue 474
Atom CA of residue 340
Atom CA of residue 83
GLU
ARG
VAL
Atom CG of residue 110
Atom C of residue 152
Atom CH2 of residue 103
Atom O of residue 40
Atom NE of residue 8
Atom CA of residue 30
Atom CG2 of residue 4
Atom CB of residue 520
Atom CA of residue 583
Atom CA of residue 585
Atom NE of residue 125
Atom CA of residue 323
TYR
Atom CA of residue 100
ALA
LEU
Atom CA of residue 359
LEU
LEU
Atom CA of residue 20
Atom CA of residue 67
Atom CD1 of residue 120
Atom CA of residue 526
Atom NH2 of residue 80
Atom C of residue 126
LYS
ALA
SER
Atom CA of residue 513
HIS
PHE
Atom CA of residue 99
GLN
GLY
Atom CA of residue 20
Atom CB of residue 16
Atom CA of residue 23
LEU
Atom CA of residue 565
Atom CA of residue 40
ASN
Atom CG of residue 19
TRP
Atom C of residue 437
PHE
ASP
Atom CA of residue 542
Atom CA of residue 112
ARG
ASN
GLU
Atom CB of residue 18
Atom O of residue 82
TYR
GLN
Atom CA of residue 548
LYS
Atom CD1 of residue 449
MET
Atom CA of residue 15
PHE
Atom C of residue 55
ILE
Atom C of residue 474
Atom CD of residue 445
ILE
ALA
Atom CB of residue 40
Atom OE1 of residue 19
SER
LEU
THR
Atom CA of residue 80
Atom CA of residue 440
Atom C of residue 81
GLY
Atom O of residue 152
LEU
THR
Atom CA of residue 552
ASP
LYS
Atom CA of residue 156
Atom CA of residue 332
SER
Atom C of residue 585
MET
Atom CA of residue 441
GLU
Atom CB of residue 132
Atom O of residue 124
Atom SD of residue 545
Atom CA of residue 275
Atom CE2 of residue 22
Atom CA of residue 103
Atom CA of residue 120
Atom N of residue 81
Atom C of residue 513
Atom CA of residue 22
GLY
GLU
ASP
ASP
Atom CG of residue 520
Atom CD2 of residue 87
Atom CA of residue 114
Atom OE2 of residue 19
Atom CA of residue 537
Atom CA of residue 2633
Atom CG of residue 16
Atom CA of residue 485
Atom CB of residue 557
THR
Atom C of residue 156
Atom CA of residue 523
Atom CD1 of residue 82
Atom CA of residue 130
Atom CA of residue 79
LEU
ALA
Atom CA of residue 67
Atom O of residue 126
SER
Atom CA of residue 291
ARG
Atom CA of residue 256
GLN
Atom CA of residue 31
Atom CA of residue 507
Atom CB of residue 152
Atom CA of residue 82
Atom CD2 of residue 449
Atom CA of residue 508
Atom CA of residue 18
Atom CA of residue 497
Atom CA of residue 239
Atom CA of residue 123
Atom CA of residue 442
PRO
Atom CA of residue 104
Atom CB of residue 32
Atom CA of residue 63
Atom CA of residue 464
Atom CD1 of residue 4
Atom CA of residue 36
Atom O of residue 474
THR
Atom O of residue 585
Atom CA of residue 62
Atom CA of residue 488
Atom CA of residue 144
Atom CA of residue 145
Atom CA of residue 441
Atom OD1 of residue 110
Atom CA of residue 501
TRP
ILE
VAL
Atom CA of residue 563
Atom CA of residue 275
Atom CE of residue 445
Atom C of residue 60
Atom CA of residue 178
Atom CA of residue 75
Atom CZ of residue 22
LEU
LEU
Atom CE1 of residue 87
GLY
Atom CD2 of residue 120
Atom CA of residue 11
GLY
Atom CA of residue 341
LEU
Atom OD1 of residue 19
GLU
Atom CA of residue 579
LEU
Atom CA of residue 101
ASP
Atom CA of residue 486
Atom CG of residue 132
LYS
Atom CA of residue 41
THR
Atom O of residue 156
Atom CB of residue 124
Atom C of residue 15
PRO
Atom CA of residue 344
Atom O of residue 513
Atom N of residue 20
GLY
Atom CA of residue 360
Atom CA of residue 569
Atom N of residue 104
Atom CA of residue 104
Atom CA of residue 313
ASN
Atom C of residue 114
PHE
Atom CA of residue 324
PHE
LEU
ASN
Atom OG1 of residue 40
Atom CZ of residue 125
Atom CA of residue 15
Atom CA of residue 437
Atom CA of residue 584
Atom CB of residue 585
TYR
Atom CD2 of residue 82
Atom CG of residue 54
Atom CA of residue 41
ARG
Atom CA of residue 543
Atom CA of residue 35
ASP
Atom CA of residue 31
GLU
TYR
Atom CA of residue 549
Atom O of residue 81
LYS
Atom C of residue 488
ARG
Atom CG of residue 12
Atom CA of residue 113
Atom SD of residue 520
THR
ARG
Atom N of residue 450
HIS
Atom CG of residue 557
Atom O of residue 20
Atom CE of residue 545
Atom O of residue 60
MET
Atom CD1 of residue 16
LEU
Atom N of residue 121
Atom CB of residue 81
ALA
Atom CA of residue 553
Atom CA of residue 80
VAL
Atom CA of residue 81
Atom CB of residue 474
VAL
Atom CB of residue 156
Atom CA of residue 439
Atom CA of residue 496
Atom CA of residue 102
Atom O of residue 6
Atom CA of residue 24
LEU
Atom CA of residue 333
Atom CA of residue 566
Atom CA of residue 446
ALA
Atom CA of residue 72
Atom N of residue 23
Atom CA of residue 121
ARG
Atom C of residue 497
Atom CA of residue 2650
ARG
Atom CD of residue 132
LEU
Atom OD2 of residue 19
Atom O of residue 55
Atom CB of residue 126
THR
Atom CB of residue 20
GLY
Atom CA of residue 99
PRO
LEU
MET
Atom CA of residue 580
SampledDensityMap86
Atom CA of residue 68
Atom OD2 of residue 110
VAL
ALA
Atom CB of residue 81
Atom CA of residue 315
Atom N of residue 153
LYS
Atom CB of residue 513
Atom NH1 of residue 125
SER
Atom CA of residue 5
VAL
Atom CA of residue 32
Atom CA of residue 508
PRO
Atom CA of residue 538
Atom NZ of residue 445
Atom CA of residue 292
Atom CA of residue 83
GLY
Atom CA of residue 509
Atom CG2 of residue 40
Atom CD of residue 557
Atom CA of residue 524
THR
Atom N of residue 546
Atom CA of residue 257
ASN
ALA
Atom O of residue 40
Atom CA of residue 20
Atom CA of residue 69
Atom OG of residue 124
Atom CE1 of residue 82
ASP
Atom CA of residue 131
Atom O of residue 488
Atom CA of residue 64
PRO
Atom CE of residue 520
Atom CA of residue 175
Atom O of residue 15
Atom CA of residue 146
SER
Atom CA of residue 2634
LEU
GLU
Atom CG of residue 81
LYS
Atom O of residue 114
Atom CA of residue 76
PRO
GLU
GLY
Atom CA of residue 124
ASN
Atom CA of residue 570
Atom CA of residue 104
Atom CA of residue 105
GLU
Atom CA of residue 38
HIS
Atom CG of residue 474
Atom CA of residue 63
Atom CG2 of residue 7
Atom O of residue 497
ASN
Atom CA of residue 502
Atom CA of residue 342
Atom CA of residue 564
Atom CE2 of residue 24
mol2
Atom CD of residue 12
Atom NH2 of residue 125
Atom CG of residue 81
Atom CA of residue 153
Atom CA of residue 3
LEU
ASP
Atom CG of residue 585
Atom CD2 of residue 16
LYS
Atom OE1 of residue 132
Atom CA of residue 15
VAL
Atom N of residue 56
Atom CB of residue 114
Atom CG of residue 20
Atom CA of residue 325
GLN
Atom CB of residue 15
PRO
Atom CA of residue 361
Atom O of residue 571
Atom CA of residue 585
PRO
VAL
ALA
ILE
Atom CA of residue 40
Atom CA of residue 440
Atom CA of residue 345
PRO
ALA
ASN
GLY
LYS
HIS
SER
LYS
Atom CG of residue 126
ASN
Atom CB of residue 12
Atom CA of residue 69
Atom CA of residue 567
Atom N of residue 111
Atom CA of residue 450
Atom CA of residue 77
Atom CA of residue 73
Atom N of residue 558
Atom CA of residue 10
Atom CA of residue 53
PHE
Atom CB of residue 45
Atom CB of residue 60
GLU
SER
Atom CA of residue 121
Atom N of residue 125
Atom NH1 of residue 147
Atom CA of residue 114
Atom CB of residue 497
Atom N of residue 521
Atom C of residue 104
Atom CB of residue 488
PRO
Atom CB of residue 7
Atom CA of residue 544
Atom CZ of residue 24
Atom N of residue 20
LYS
LEU
THR
Atom CA of residue 100
Atom CA of residue 550
Atom O of residue 464
PHE
Atom N of residue 446
THR
ASN
Atom CA of residue 503
Atom N of residue 157
VAL
GLN
LEU
Atom CA of residue 554
GLY
THR
ALA
Atom CA of residue 16
Atom CG of residue 114
TRP
Atom CG1 of residue 15
Atom CA of residue 70
Atom CA of residue 2651
ALA
Atom CA of residue 546
THR
VAL
LEU
Atom CA of residue 122
Atom CD1 of residue 81
SER
Atom CA of residue 132
Atom CA of residue 101
SER
Atom CG of residue 12
Atom CA of residue 82
LEU
Atom C of residue 450
Atom OE2 of residue 132
Atom CG of residue 513
Atom CD1 of residue 77
GLY
GLY
Atom CD of residue 126
Atom CA of residue 539
GLU
Atom CA of residue 93
PRO
Atom CA of residue 430
Atom CG1 of residue 45
ILE
Atom CA of residue 126
Atom CA of residue 2635
Atom CA of residue 70
GLY
Atom CA of residue 132
ILE
Atom CA of residue 55
HIS
Atom CD1 of residue 81
Atom NZ of residue 74
Atom CA of residue 147
TYR
LEU
Atom CD1 of residue 585
Atom CG of residue 60
Atom CA of residue 61
Atom CA of residue 33
Atom CA of residue 509
Atom N of residue 8
ASN
Atom CA of residue 84
GLU
ASN
Atom CA of residue 510
LEU
PRO
Atom CA of residue 258
Atom CA of residue 41
Atom CA of residue 17
Atom CA of residue 293
MapReaderWriter40
Atom CA of residue 125
Atom CA of residue 42
Atom C of residue 121
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
Atom CB of residue 464
Atom O of residue 104
ALA
Atom CA of residue 106
Atom N of residue 41
Atom CA of residue 65
Atom N of residue 25
GLU
Atom CA of residue 64
ASP
Atom CD of residue 20
Atom CA of residue 503
TYR
Atom CA of residue 571
LYS
GLN
Atom CA of residue 565
HIS
MET
Atom N of residue 126
GLU
Atom CA of residue 343
Atom O of residue 5
Atom CA of residue 474
Atom NE1 of residue 16
Atom CD1 of residue 513
Atom CA of residue 56
Atom O of residue 450
GLU
Atom CA of residue 42
PRO
Atom C of residue 546
Atom CA of residue 278
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom CA of residue 58
THR
VAL
ARG
Atom CA of residue 362
LEU
ARG
Atom CA of residue 97
LEU
LEU
TRP
VAL
ARG
Atom CG of residue 497
Atom C of residue 446
Atom CA of residue 346
Atom OE1 of residue 126
SER
THR
Atom CA of residue 326
Atom CB of residue 82
GLY
PRO
ALA
Atom CD of residue 114
ASN
Atom CA of residue 74
Atom CA of residue 558
Atom C of residue 81
Atom CA of residue 568
Atom CA of residue 111
Atom CA of residue 586
Atom CA of residue 140
Atom CG of residue 488
Atom CA of residue 102
Atom OE2 of residue 20
Atom CA of residue 432
LEU
Atom CA of residue 545
VAL
Atom CE of residue 76
Atom CA of residue 551
Atom CD1 of residue 45
Atom CA of residue 521
Atom NE of residue 147
Atom CA of residue 276
TYR
ARG
ALA
Atom CA of residue 504
SER
Atom CG2 of residue 15
Atom CA of residue 71
TRP
PHE
Atom CA of residue 79
VAL
Atom CA of residue 83
ASN
Atom CD2 of residue 585
Atom CB of residue 104
Atom CA of residue 555
Atom CD2 of residue 513
Atom CA of residue 17
Atom CA of residue 18
LYS
Atom CD of residue 99
Atom C of residue 153
ASP
GLU
Atom CD2 of residue 81
Atom C of residue 56
LEU
GLY
Atom CA of residue 115
Atom CA of residue 123
GLU
Atom CA of residue 2652
Atom CB of residue 5
Atom CA of residue 125
Atom CA of residue 152
Atom OG of residue 464
Atom N of residue 75
Atom O of residue 121
Atom CE2 of residue 77
ALA
PRO
PRO
Atom CB of residue 147
LYS
DensityMap12
THR
ARG
PHE
Atom CE2 of residue 16
Atom O of residue 546
LYS
ALA
Atom CD1 of residue 60
ASN
Atom O of residue 32
Atom CA of residue 2636
Atom SD of residue 488
Atom CA of residue 157
LEU
Atom CG of residue 82
Atom CA of residue 433
Atom CA of residue 54
Atom CA of residue 8
Atom CA of residue 148
Atom N of residue 46
Atom NE2 of residue 126
Atom CA of residue 510
GLY
Atom CA of residue 540
Atom CA of residue 43
Atom CE1 of residue 585
Atom CA of residue 85
SER
Atom NE of residue 114
Atom CA of residue 511
Atom CA of residue 41
Atom C of residue 125
Atom CA of residue 6
MET
Atom NE of residue 13
Atom O of residue 81
Atom CA of residue 8
PHE
Atom C of residue 111
DensityMap18
Atom CA of residue 133
Atom N of residue 514
Atom CA of residue 76
Atom CA of residue 66
Atom OE1 of residue 99
Atom CA of residue 294
Atom N of residue 133
ARG
SER
Atom CA of residue 141
Atom CA of residue 25
Atom CD1 of residue 497
Atom CA of residue 25
LEU
Atom N of residue 21
Atom CD1 of residue 15
Atom CA of residue 572
Atom CB of residue 568
Atom CA of residue 126
GLU
Atom C of residue 558
Atom CA of residue 153
Atom CA of residue 438
GLU
CYS
Atom O of residue 56
Atom CA of residue 59
Atom CA of residue 107
Atom CA of residue 56
Atom CA of residue 65
Atom CA of residue 344
Atom N of residue 451
Atom CA of residue 99
LYS
Atom CA of residue 259
PRO
Atom CA of residue 504
ASN
Atom CA of residue 64
ASN
Atom CA of residue 566
Atom CA of residue 72
Atom C of residue 521
Atom O of residue 446
ARG
Atom CD2 of residue 60
SER
GLU
Atom O of residue 153
LYS
Atom C of residue 157
Atom CA of residue 19
Atom CG of residue 104
Atom CB of residue 121
VAL
Atom CZ of residue 13
Atom CA of residue 2
Atom CZ of residue 77
Atom CA of residue 363
THR
Atom C of residue 8
Atom C of residue 126
GLU
Atom CA of residue 327
Atom CA of residue 4
MET
TYR
Atom CA of residue 87
Atom CA of residue 98
VAL
Atom CA of residue 587
Atom CA of residue 347
Atom CE2 of residue 155
Atom CA of residue 467
Atom CB of residue 546
PRO
Atom CZ of residue 507
GLU
Atom CE of residue 488
ASN
Atom CA of residue 77
Atom C of residue 25
ALA
ARG
THR
ALA
ALA
LEU
Atom CA of residue 569
Atom CA of residue 127
Atom CA of residue 455
Atom C of residue 6
Atom CA of residue 505
Atom C of residue 41
GLU
Atom O of residue 125
Atom CA of residue 16
PHE
Atom CA of residue 116
THR
ILE
Atom O of residue 111
Atom CA of residue 38
ILE
ILE
Atom CA of residue 546
Atom OE2 of residue 99
Atom CA of residue 9
PRO
Atom CA of residue 552
Atom N of residue 82
LEU
LEU
Atom CA of residue 84
SER
Atom CB of residue 153
Atom CA of residue 55
Atom N of residue 465
PRO
Atom CA of residue 439
SER
Atom CA of residue 142
PRO
Atom O of residue 558
Atom CA of residue 96
Atom N of residue 57
ILE
Atom CA of residue 65
GLN
ASP
Atom CD of residue 104
Atom CA of residue 556
Atom O of residue 157
GLY
Atom N of residue 78
Atom CB of residue 446
Atom CA of residue 2653
Atom CZ of residue 155
Atom CA of residue 447
LYS
Atom O of residue 8
Atom CA of residue 21
GLY
Atom CA of residue 279
Atom CA of residue 2629
ASP
Atom CA of residue 468
Atom CA of residue 8
Atom CA of residue 124
MET
GLY
Atom CA of residue 18
ASN
Atom CA of residue 137
Atom CA of residue 133
Atom CA of residue 149
Atom O of residue 25
THR
Atom CA of residue 434
Atom CA of residue 541
Atom CD2 of residue 497
Atom CA of residue 73
Atom CB of residue 111
TYR
SER
Atom CE2 of residue 585
Atom CA of residue 78
Atom N of residue 16
Atom CA of residue 2637
ALA
Atom O of residue 521
Atom CG of residue 153
Atom N of residue 61
Atom CA of residue 134
Atom N of residue 489
VAL
Atom CA of residue 55
GLU
Atom CG of residue 121
GLY
Atom CA of residue 260
PRO
ALA
Atom CA of residue 81
PHE
LYS
Atom CA of residue 511
ASP
Atom CA of residue 39
Atom CA of residue 295
LEU
VAL
Atom CA of residue 512
Atom O of residue 41
Atom CB of residue 157
Atom CB of residue 125
Atom C of residue 55
LEU
Atom CG of residue 8
Atom CZ of residue 114
Atom CA of residue 127
THR
Atom CG1 of residue 546
ILE
Atom CA of residue 277
python stream rigid body
ALA
Atom CA of residue 108
GLU
Atom CA of residue 67
Atom N of residue 498
VAL
Atom NH1 of residue 147
Atom N of residue 508
Atom CA of residue 573
Atom N of residue 156
Atom CA of residue 505
LYS
Atom N of residue 127
Atom CA of residue 60
Atom CA of residue 567
Atom CG of residue 111
Atom CA of residue 466
LYS
PRO
Atom O of residue 126
Atom CA of residue 154
Atom CB of residue 25
Fit restraint scratch map
ASN
GLU
ARG
GLY
Atom CA of residue 79
Atom CB of residue 558
Atom OE2 of residue 83
PHE
Atom NE of residue 104
Atom C of residue 133
ARG
MET
Atom CA of residue 514
Atom CD1 of residue 12
Atom N of residue 522
Atom N of residue 116
LEU
Atom CA of residue 431
GLU
Atom CA of residue 364
Atom CZ of residue 585
GLU
ASN
TYR
GLU
PRO
ALA
Atom CA of residue 465
VAL
Atom N of residue 100
Atom CA of residue 348
TYR
Atom CB of residue 41
Atom OD1 of residue 121
Atom CA of residue 451
Atom CA of residue 328
Atom O of residue 46
ALA
GLU
Atom CA of residue 88
LYS
Atom CA of residue 506
PHE
Atom CA of residue 570
Atom CG2 of residue 546
Atom CA of residue 97
Atom CG of residue 446
LYS
GLU
Atom CA of residue 547
Atom CA of residue 117
LEU
ALA
GLU
Atom CB of residue 126
Atom O of residue 55
ASN
Atom CA of residue 553
Atom CA of residue 82
ASP
Atom NH1 of residue 114
ALA
PRO
PRO
THR
Atom O of residue 133
Atom CG of residue 125
Atom CA of residue 57
Atom NH2 of residue 13
GLY
Atom CD of residue 115
SER
LEU
LEU
Atom CA of residue 474
Atom CA of residue 557
Atom CA of residue 56
Atom CA of residue 150
Atom CA of residue 432
Atom CA of residue 498
ASN
Atom CA of residue 133
SER
Atom C of residue 514
ASN
THR
THR
Atom CA of residue 45
Atom CA of residue 125
GLU
PHE
Atom CA of residue 514
Atom CD2 of residue 12
Atom CA of residue 20
Atom C of residue 465
VAL
Atom CA of residue 138
Atom CA of residue 448
Atom CZ of residue 104
Atom CD of residue 153
GLN
PHE
Atom C of residue 10
LEU
ARG
ALA
Atom CA of residue 465
SER
THR
Atom CG of residue 157
ALA
Atom OH of residue 585
LEU
LYS
LEU
LYS
Atom N of residue 84
Atom CA of residue 86
Atom CD of residue 111
ALA
Atom C of residue 451
Atom CG of residue 558
Atom CA of residue 56
Model 32
CYS
Atom CA of residue 2654
Atom CA of residue 489
Atom ND2 of residue 121
Atom OG of residue 126
Atom C of residue 82
Atom C of residue 127
Atom NH2 of residue 114
Atom CA of residue 542
Atom CB of residue 46
MET
LEU
PRO
Atom CA of residue 513
Atom C of residue 20
Atom CA of residue 33
Atom CA of residue 261
GLN
Atom CG1 of residue 25
LYS
Atom CA of residue 78
Atom CD1 of residue 446
Atom CA of residue 57
Atom CA of residue 296
LEU
Atom CA of residue 135
Atom N of residue 14
LYS
Atom CA of residue 68
LEU
Atom CD of residue 125
LYS
Atom CA of residue 58
Atom N of residue 56
SER
ASP
Atom CA of residue 2631
Atom CA of residue 21
LEU
Atom CA of residue 63
Atom CA of residue 60
ILE
VAL
Atom CA of residue 111
Atom CA of residue 467
Atom CA of residue 136
PRO
Atom CB of residue 133
SER
Atom CA of residue 128
Atom C of residue 31
Atom CA of residue 109
Atom C of residue 16
ALA
Atom CA of residue 46
Atom CE of residue 153
Atom CA of residue 63
Atom O of residue 514
LYS
ILE
ARG
Atom CA of residue 506
Atom CA of residue 2638
Atom CA of residue 568
LEU
Atom C of residue 78
Atom N of residue 586
PRO
Atom CA of residue 42
Atom CA of residue 98
ASP
Atom CA of residue 280
Atom CD1 of residue 558
VAL
Atom O of residue 465
Atom CA of residue 365
CYS
Atom CA of residue 574
Atom C of residue 489
LEU
Atom O of residue 82
GLN
ILE
Atom N of residue 115
Atom CD of residue 29
Atom CA of residue 329
MET
LEU
Atom CA of residue 349
Atom CA of residue 89
VAL
Atom CA of residue 507
VAL
HIS
LYS
Atom CA of residue 522
Atom OE1 of residue 111
Atom CA of residue 2632
Atom C of residue 57
Atom CA of residue 134
Atom CA of residue 156
Atom CA of residue 445
Atom O of residue 451
Atom N of residue 547
GLY
DensityMap888
LEU
Atom N of residue 122
Atom CA of residue 100
Atom O of residue 127
Atom CA of residue 62
GLY
Atom CA of residue 118
GLU
Atom CA of residue 13
Atom CG2 of residue 25
GLU
Atom CD of residue 157
Atom CA of residue 61
Atom CA of residue 112
Atom CD2 of residue 446
Atom CA of residue 137
ILE
LYS
Atom CA of residue 75
Atom NE of residue 29
Atom CA of residue 40
Atom CA of residue 18
Atom CA of residue 151
ALA
Atom CA of residue 2639
Atom CA of residue 548
Atom NE of residue 125
Atom CA of residue 155
GLY
Atom CA of residue 554
SER
Atom N of residue 127
ASP
SER
Atom CA of residue 571
Atom CA of residue 47
SER
Atom C of residue 156
Atom CA of residue 517
ASN
Atom CB of residue 82
Atom CA of residue 466
Atom CA of residue 9
Atom O of residue 5
Atom C of residue 522
Atom O of residue 31
Atom CA of residue 2655
Atom CA of residue 558
Atom CA of residue 87
Atom O of residue 78
ASP
AccumulateRigidBodyDerivatives0
SER
GLU
TYR
ARG
Atom CB of residue 514
ASP
PHE
ARG
Atom C of residue 46
Atom CA of residue 131
Atom C of residue 42
Atom N of residue 134
Atom CZ of residue 29
Atom CA of residue 41
Atom CA of residue 126
Atom CA of residue 84
TYR
ASP
Atom CD2 of residue 558
ARG
GLN
Atom CB of residue 465
LEU
Atom O of residue 57
Atom CA of residue 467
Atom O of residue 489
Atom CA of residue 515
Atom C of residue 100
Atom CA of residue 64
Atom CA of residue 89
Atom CA of residue 543
Atom CB of residue 451
LEU
THR
ILE
ASP
Atom O of residue 16
Atom C of residue 498
LYS
CYS
Atom CA of residue 39
Atom CA of residue 152
Atom CA of residue 69
Atom CA of residue 262
GLN
Atom CA of residue 57
GLU
Atom NZ of residue 153
ALA
Atom NH1 of residue 104
ASP
Atom CA of residue 62
Atom CA of residue 122
ALA
GLY
ALA
GLN
Atom CB of residue 127
LYS
Atom O of residue 81
Atom CA of residue 468
Atom O of residue 156
Atom CA of residue 514
Atom CA of residue 129
Atom N of residue 447
LEU
Atom CA of residue 575
LEU
Atom CA of residue 110
THR
Atom CA of residue 297
Atom CG of residue 13
Atom CZ of residue 125
Atom CG2 of residue 45
Atom CA of residue 113
Atom CA of residue 507
Atom CA of residue 132
PRO
TRP
Atom CA of residue 103
LEU
Atom CA of residue 569
Atom O of residue 22
Atom CB of residue 31
Atom CA of residue 66
GLN
Atom CB of residue 78
Atom CA of residue 508
Atom CA of residue 547
Atom O of residue 522
Atom CA of residue 455
Atom CA of residue 48
PRO
Atom CA of residue 86
Atom CG of residue 451
LYS
Atom CG2 of residue 514
MET
Atom CB of residue 16
GLN
Atom CA of residue 366
Atom CA of residue 508
GLN
Atom CB of residue 57
Atom CA of residue 518
Atom CA of residue 468
Atom O of residue 42
Atom CA of residue 350
Atom CA of residue 68
MET
Atom CA of residue 40
Atom N of residue 559
Atom C of residue 39
DensityMap890
ASN
ALA
Atom CA of residue 281
Atom C of residue 567
Atom CB of residue 156
Atom NH2 of residue 104
Atom CA of residue 512
AccumulateRigidBodyDerivatives2
Atom CA of residue 56
Atom CA of residue 36
Atom O of residue 100
Atom CA of residue 2633
Atom CA of residue 273
GLU
Atom CA of residue 330
Atom O of residue 498
Atom CA of residue 572
Atom CA of residue 470
Atom CA of residue 19
THR
Atom CA of residue 2640
VAL
ALA
Atom CA of residue 446
PRO
Atom CG of residue 32
Atom CA of residue 2
Atom CA of residue 119
ASP
1tdx.pdb
ILE
Atom CA of residue 549
Atom N of residue 83
Atom CB of residue 22
LEU
Atom C of residue 84
Atom OE2 of residue 111
ARG
ASN
Atom CA of residue 555
NormalizeRotation1
Atom CA of residue 586
ILE
Atom N of residue 8
Atom CA of residue 50
Atom CB of residue 81
Atom CB of residue 522
Atom CA of residue 455
ARG
LYS
ALA
TYR
Atom C of residue 547
PHE
Atom N of residue 154
PHE
Atom CA of residue 559
ILE
ARG
Atom CB of residue 498
ALA
Atom N of residue 26
Atom CG of residue 16
Atom CA of residue 46
Atom CA of residue 3
Atom CA of residue 456
GLY
Atom CA of residue 2656
Atom CB of residue 489
ASN
THR
Atom OG1 of residue 514
ASN
Atom CD of residue 39
ASP
ARG
Atom NH1 of residue 29
Atom CA of residue 60
Atom CA of residue 114
Atom CA of residue 127
ARG
Atom CA of residue 130
Atom CA of residue 40
Atom C of residue 586
LYS
LYS
GLN
VAL
Atom N of residue 105
Atom CA of residue 20
Atom C of residue 56
Atom CG of residue 465
VAL
PHE
Atom C of residue 122
ASP
Atom CA of residue 90
Atom CA of residue 49
Atom CA of residue 471
Atom O of residue 40
LEU
ASP
Atom CA of residue 559
ARG
LEU
Atom CA of residue 58
Atom CA of residue 83
Atom CG of residue 522
LEU
Atom CD2 of residue 135
Atom CD of residue 78
python stream
Atom CA of residue 34
LEU
Atom CA of residue 103
PHE
ALA
LeavesRefiner1
VAL
Atom CB of residue 100
Atom CA of residue 67
Atom NH2 of residue 29
Atom CA of residue 263
Atom CA of residue 544
SER
Atom CG of residue 127
Atom CD of residue 451
Atom CA of residue 515
rigid bodies list
Atom CA of residue 2641
ASP
Atom CG of residue 498
Atom CG of residue 57
Atom CA of residue 70
Atom CG1 of residue 41
Atom CA of residue 134
LEU
LYS
Atom CA of residue 456
ARG
GLY
Atom CA of residue 576
Chain  
PRO
Atom CA of residue 130
GLY
Atom CA of residue 17
Atom CA of residue 133
Atom N of residue 31
VAL
Atom CA of residue 298
LEU
ALA
Atom CA of residue 457
VAL
Atom CG of residue 117
TRP
Atom CA of residue 130
Atom O of residue 547
Atom CA of residue 5
Atom N of residue 112
VAL
Atom O of residue 586
Atom CA of residue 207
PRO
Atom CA of residue 111
UpdateRigidBodyMembers20
Atom OD1 of residue 465
TRP
Atom CA of residue 61
Atom O of residue 56
GLU
ASP
Atom CA of residue 508
Atom CA of residue 41
Atom CA of residue 509
Atom CA of residue 39
Atom CA of residue 104
PRO
Atom CA of residue 570
Atom CG of residue 81
Atom CA of residue 6
Atom O of residue 84
LEU
Atom CA of residue 274
Atom CA of residue 127
VAL
Atom CA of residue 367
THR
ILE
Atom CE2 of residue 22
LEU
Atom N of residue 30
Atom CA of residue 351
Atom O of residue 122
Atom NH1 of residue 125
Atom CA of residue 331
Atom CA of residue 71
mol2 rigid body rigid body positions
HIS
ILE
LEU
Atom OD1 of residue 127
Atom N of residue 157
Atom N of residue 490
Atom N of residue 515
Atom CA of residue 41
Atom CD1 of residue 16
SER
SER
Atom C of residue 134
Atom N of residue 40
Atom CA of residue 573
Atom CA of residue 50
GLU
Atom CA of residue 513
Atom OE1 of residue 78
Atom CA of residue 16
Atom CA of residue 61
ARG
GLN
Atom CA of residue 9
Atom CA of residue 282
Atom CA of residue 129
LEU
Atom CA of residue 57
Atom C of residue 127
Atom C of residue 24
VAL
Atom CB of residue 586
Atom N of residue 452
ASN
Atom CA of residue 26
Atom CB of residue 84
Atom C of residue 17
Atom CA of residue 20
SER
MET
GLY
Atom CA of residue 51
Atom CD1 of residue 522
Atom CA of residue 104
LEU
Atom CA of residue 105
SER
GLN
Atom CZ of residue 8
Atom OD2 of residue 465
Atom CA of residue 550
Atom CA of residue 458
Atom CA of residue 115
ASP
Atom CA of residue 556
ASN
Atom CG of residue 100
Atom CA of residue 154
Atom CA of residue 472
Atom CA of residue 50
SER
TRP
Atom SD of residue 498
LEU
Atom CD1 of residue 81
Atom CA of residue 120
ALA
Atom CA of residue 2657
Atom N of residue 57
Atom CB of residue 547
Atom CZ of residue 22
Atom CA of residue 55
Atom CA of residue 477
Atom CA of residue 560
ILE
LEU
Atom CA of residue 42
Atom C of residue 559
Atom CA of residue 66
GLY
LYS
PHE
Atom NH2 of residue 125
SER
Atom OD2 of residue 127
PHE
VAL
LEU
Atom CD1 of residue 57
Atom CA of residue 134
SER
ARG
Atom CA of residue 72
Atom CA of residue 128
ALA
GLY
GLY
Atom CA of residue 4
ILE
PHE
Atom CG of residue 31
ASP
Atom CG2 of residue 41
SER
Atom CB of residue 122
Atom CA of residue 14
Atom CA of residue 545
LEU
ARG
Atom CD2 of residue 16
Atom CG of residue 84
LYS
SER
Atom CD of residue 117
Atom CA of residue 71
Atom O of residue 134
Atom CA of residue 58
THR
Atom CA of residue 91
Atom O of residue 127
Atom CA of residue 156
Atom N of residue 466
Atom CA of residue 492
TYR
Atom CA of residue 59
ALA
LEU
CYS
Atom O of residue 17
Atom OD1 of residue 100
Atom C of residue 154
PRO
TRP
LYS
Atom CA of residue 264
Atom CA of residue 2642
Atom O of residue 24
Atom CA of residue 28
Atom CA of residue 116
Atom N of residue 587
LYS
Atom CA of residue 516
Atom NH2 of residue 8
Atom CA of residue 41
Atom C of residue 26
Atom CA of residue 577
Atom CA of residue 131
Atom CA of residue 112
GLN
ALA
Atom CA of residue 478
Atom CA of residue 208
Atom CA of residue 299
Atom C of residue 105
LEU
Atom CA of residue 469
Atom CA of residue 112
PHE
VAL
Atom N of residue 126
Atom CA of residue 509
Atom N of residue 128
Atom CA of residue 490
Atom CA of residue 510
Atom CA of residue 40
Atom CA of residue 105
Atom CE of residue 498
Atom CA of residue 571
Atom CD2 of residue 81
Atom C of residue 2
Atom CD2 of residue 57
ARG
PRO
PHE
Atom CA of residue 105
Atom C of residue 4
LEU
Atom CA of residue 275
Atom O of residue 559
Atom CA of residue 30
Atom CA of residue 59
Atom CE1 of residue 22
Atom CD2 of residue 522
Atom CA of residue 368
Atom CA of residue 24
PHE
GLN
Atom C of residue 83
Atom C of residue 79
Atom CA of residue 439
PHE
Atom CB of residue 127
Atom CA of residue 134
Atom CA of residue 352
SER
LYS
Atom N of residue 42
LEU
Atom CA of residue 51
Atom C of residue 9
Atom CA of residue 515
PHE
LYS
MET
ASP
Atom CA of residue 70
Atom N of residue 4
Atom CA of residue 574
ILE
Atom N of residue 39
Atom O of residue 154
SER
Atom CA of residue 332
ARG
Atom CA of residue 587
PRO
LEU
Atom CA of residue 121
Atom CA of residue 283
Atom OE1 of residue 117
Atom CA of residue 3
Atom CB of residue 134
PRO
Atom C of residue 30
Atom C of residue 112
Atom CA of residue 551
Atom CA of residue 57
Atom CA of residue 11
SER
Atom CA of residue 59
Atom CA of residue 557
Atom OD2 of residue 100
Atom C of residue 490
ASN
PHE
PRO
Atom CD2 of residue 24
Atom CA of residue 499
Atom CA of residue 88
GLU
ILE
Atom O of residue 26
ARG
Atom CA of residue 157
GLY
Atom O of residue 4
Atom CA of residue 117
SER
LYS
Atom O of residue 105
Atom CA of residue 313
Atom CG of residue 127
Atom CA of residue 43
GLU
Atom CG of residue 547
Atom CA of residue 331
GLU
Atom CA of residue 2658
Atom CA of residue 57
Atom CA of residue 60
Atom CA of residue 18
PRO
ALA
Atom CA of residue 452
Atom O of residue 30
Atom CE1 of residue 16
LYS
Atom N of residue 82
VAL
Atom N of residue 58
Atom OD1 of residue 31
Atom O of residue 39
VAL
LEU
Atom CD of residue 84
Atom CA of residue 67
Atom CA of residue 37
PHE
Atom CB of residue 559
GLN
MET
Atom CA of residue 135
VAL
GLY
Model 10
PRO
Atom CB of residue 5
Atom CA of residue 81
GLY
Atom CG of residue 122
TYR
Atom CA of residue 106
Atom CA of residue 155
Atom CA of residue 15
Atom O of residue 112
GLU
Atom CA of residue 60
Atom O of residue 83
GLU
Atom CA of residue 40
Atom CB of residue 30
Atom CA of residue 126
Atom CA of residue 30
Atom CB of residue 26
SER
Atom O of residue 79
ARG
Atom CA of residue 92
Atom CA of residue 546
ALA
Atom C of residue 515
PHE
LYS
VAL
GLN
PRO
GLN
Atom C of residue 157
GLU
Atom CB of residue 4
Atom CG of residue 134
Atom O of residue 9
PRO
Atom C of residue 452
Model 30
Atom CD of residue 547
Atom ND2 of residue 31
Atom CA of residue 578
Atom CA of residue 157
ASN
Atom N of residue 101
MET
ALA
Atom CA of residue 300
Atom O of residue 490
Atom CA of residue 511
GLY
Atom CE1 of residue 24
ILE
Atom CA of residue 156
SER
Atom CA of residue 132
Atom CG1 of residue 30
LYS
Atom CA of residue 469
Atom CA of residue 9
Atom CB of residue 105
Atom CA of residue 470
Atom CA of residue 113
Atom CA of residue 265
Atom CA of residue 30
Atom CB of residue 154
Atom CA of residue 315
Atom CA of residue 27
Atom CB of residue 39
Atom CA of residue 466
Atom N of residue 27
Atom CA of residue 118
Atom CA of residue 510
LEU
Atom CA of residue 440
ILE
Atom CD of residue 122
Atom CA of residue 248
Atom CA of residue 106
Atom CB of residue 83
Atom CA of residue 572
Atom CA of residue 82
Atom CG of residue 22
Atom CA of residue 369
Atom CA of residue 135
PHE
Atom CA of residue 211
ASN
Atom CG of residue 6
Atom C of residue 57
Atom NE of residue 84
Atom CA of residue 353
THR
GLU
Atom CG of residue 4
Atom CD of residue 127
Atom CE2 of residue 16
VAL
Atom N of residue 6
Atom CA of residue 31
ARG
Atom CA of residue 575
Atom N of residue 523
Atom CA of residue 39
Atom CA of residue 128
Atom C of residue 508
Atom O of residue 157
mol_1 rigid body
SER
PHE
Atom CA of residue 5
Atom CA of residue 93
Atom OE1 of residue 547
Atom CA of residue 122
Atom CA of residue 284
Atom N of residue 32
PHE
Atom O of residue 515
ALA
Atom N of residue 499
THR
Atom CD1 of residue 134
Atom C of residue 126
Atom CA of residue 65
Atom CA of residue 107
ASP
LYS
ASP
Atom C of residue 587
Atom CA of residue 25
GLU
Atom CA of residue 16
Atom CA of residue 494
Atom CA of residue 89
Atom CA of residue 58
VAL
MapReaderWriter42
HIS
LEU
Atom CA of residue 552
Atom CG of residue 83
Atom CA of residue 35
ASN
Atom CA of residue 44
Atom CA of residue 558
Atom C of residue 466
Atom CA of residue 27
Atom CA of residue 61
Atom N of residue 79
ASN
Atom CA of residue 101
Atom CA of residue 22
PHE
Atom OE1 of residue 122
ARG
HIS
Atom CA of residue 332
SER
Atom CA of residue 58
ALA
Atom CB of residue 112
Atom CA of residue 479
Atom CG2 of residue 30
PHE
Atom CA of residue 101
LEU
Atom CA of residue 28
ILE
LEU
LEU
Atom CG of residue 154
ILE
Atom CA of residue 136
Atom CG of residue 559
Atom CG of residue 39
Atom CZ of residue 16
GLU
Atom CA of residue 82
ILE
Atom CB of residue 157
Atom O of residue 57
Atom CD1 of residue 24
Atom CB of residue 39
THR
Atom C of residue 128
HIS
THR
Chain  
Atom NE2 of residue 547
Atom CA of residue 85
GLU
PRO
HIS
Atom CA of residue 2659
Atom CG of residue 105
Atom CA of residue 276
GLN
Atom OE2 of residue 78
LYS
Atom CA of residue 2671
Atom N of residue 128
ASN
Atom CA of residue 547
LYS
Atom CG2 of residue 4
Atom CA of residue 31
VAL
ARG
Atom CB of residue 490
Atom CA of residue 17
VAL
Atom CD1 of residue 22
Atom CA of residue 327
Atom NE2 of residue 117
Atom CA of residue 266
PRO
Atom CA of residue 61
Atom CB of residue 515
LEU
SER
Atom CA of residue 67
PHE
Atom CA of residue 512
Atom CA of residue 453
Atom CD2 of residue 134
Atom OE2 of residue 122
Atom CA of residue 32
ASP
LYS
Atom CD1 of residue 4
ALA
Atom CD1 of residue 30
Fit restraint internal rb map
Atom C of residue 82
Atom CA of residue 73
Atom CA of residue 119
VAL
Atom CA of residue 133
LYS
ILE
Atom O of residue 2
Atom CA of residue 471
Atom CA of residue 114
Atom CZ of residue 84
LEU
Atom CD1 of residue 559
Atom OH of residue 16
Atom O of residue 466
P0
GLU
Atom CA of residue 511
Atom CA of residue 84
Atom CA of residue 19
Atom CA of residue 108
Atom CA of residue 449
Atom O of residue 126
Atom CA of residue 249
Atom CA of residue 107
Atom CA of residue 29
Atom CA of residue 573
PHE
Atom CA of residue 329
VAL
CYS
Atom CA of residue 301
Atom CG1 of residue 112
Atom CA of residue 83
Atom CA of residue 370
THR
Atom CA of residue 579
Atom CD of residue 105
PRO
SER
ILE
PRO
LEU
Atom CA of residue 14
Atom CA of residue 354
Atom CA of residue 212
LYS
Atom CD1 of residue 4
Atom CB of residue 57
Atom N of residue 3
Atom CA of residue 523
Atom CG of residue 39
Atom O of residue 128
PRO
ALA
TYR
Atom CA of residue 11
Atom CA of residue 23
Atom C of residue 58
LEU
GLN
SER
Atom O of residue 587
Atom CA of residue 32
THR
ALA
THR
Atom CG of residue 78
ALA
Atom CA of residue 26
PHE
Atom N of residue 31
Atom CA of residue 123
Atom CD of residue 83
Atom CD of residue 154
Atom CA of residue 285
Atom CB of residue 24
Atom CD2 of residue 22
ARG
Atom CB of residue 126
GLU
Atom CA of residue 553
Atom C of residue 499
LEU
Atom CA of residue 74
Atom CA of residue 120
Atom CA of residue 441
Atom CD2 of residue 559
Atom N of residue 17
Atom CA of residue 559
Atom CA of residue 495
GLY
Atom CA of residue 62
Atom CA of residue 90
Atom CG of residue 157
ASP
Atom C of residue 453
SER
Atom CE1 of residue 134
VAL
Atom C of residue 12
Atom CA of residue 576
Atom C of residue 101
SER
LYS
LEU
Atom CD2 of residue 4
Atom O of residue 82
ARG
Atom N of residue 118
Atom CA of residue 480
Atom CG1 of residue 490
Atom CA of residue 102
Atom CA of residue 333
Atom CA of residue 10
THR
Atom CA of residue 21
Atom CA of residue 2660
VAL
CYS
GLU
GLU
Atom CA of residue 33
Atom CD1 of residue 570
Atom CB of residue 466
ALA
ALA
HIS
THR
Atom CA of residue 32
Atom C of residue 523
LYS
ILE
Atom CA of residue 24
Atom CA of residue 24
Atom CA of residue 464
Atom C of residue 32
Atom CA of residue 210
GLY
Atom N of residue 106
THR
ALA
Atom CA of residue 59
Atom CA of residue 109
VAL
Atom OE1 of residue 83
Atom CA of residue 330
Atom CE of residue 154
Atom CA of residue 277
PRO
Atom CB of residue 128
Atom CA of residue 29
Atom CA of residue 50
Atom CD of residue 147
Atom CA of residue 94
Atom N of residue 8
LEU
TRP
ARG
Atom O of residue 58
Atom O of residue 12
LYS
Atom OG of residue 7
Atom CA of residue 62
ALA
Atom CG2 of residue 112
Atom SD of residue 39
Atom CA of residue 157
Atom CG of residue 515
Atom N of residue 560
NullModifier4
Atom N of residue 548
ASP
Atom CA of residue 19
Atom CB of residue 4
LEU
ASP
Atom CA of residue 267
Atom CA of residue 548
VAL
Atom CA of residue 75
Atom CA of residue 5
PHE
LYS
GLU
Atom CA of residue 580
PHE
Atom CG2 of residue 490
PRO
Atom CA of residue 2672
ASP
LEU
Atom CA of residue 85
Atom CB of residue 587
ILE
LYS
ALA
GLY
Atom CA of residue 17
ASN
Atom C of residue 85
VAL
Atom CA of residue 22
ARG
Atom CA of residue 2
Atom CA of residue 30
Atom CG of residue 24
Atom O of residue 523
Atom CA of residue 121
Atom O of residue 101
PRO
ALA
Atom N of residue 123
Atom CB of residue 82
PRO
SER
Atom O of residue 32
TYR
Atom CA of residue 302
Atom CA of residue 115
MET
LEU
Atom CA of residue 472
Atom OG of residue 126
CYS
Atom CA of residue 512
Atom NZ of residue 154
Atom CA of residue 371
Atom CA of residue 83
Atom CG of residue 57
Atom CA of residue 108
SER
Atom CA of residue 574
Atom CD of residue 157
Atom CA of residue 331
Atom CA of residue 355
ILE
Atom CA of residue 84
Atom CA of residue 250
Atom N of residue 113
PHE
ALA
Atom CA of residue 202
Atom CD of residue 515
GLN
Atom CA of residue 27
Atom CA of residue 27
THR
Atom CA of residue 95
ASP
Atom O of residue 499
ARG
Atom CA of residue 577
GLU
LEU
Atom CA of residue 128
Atom CA of residue 124
Atom CA of residue 76
Atom CB of residue 77
Atom CA of residue 286
Atom CB of residue 58
GLU
LYS
Atom CB of residue 15
Atom CB of residue 523
Atom CE of residue 39
Atom CB of residue 32
Atom CA of residue 110
GLY
Atom CA of residue 40
Atom CA of residue 496
Atom CA of residue 63
Atom CD2 of residue 116
ASN
Atom CA of residue 6
ARG
CYS
Atom CA of residue 209
VAL
PRO
Atom CD1 of residue 62
Atom CG1 of residue 4
mol_3 rigid body
Atom CA of residue 91
Atom CA of residue 23
Atom CA of residue 481
Atom N of residue 491
Atom CA of residue 103
PHE
Atom C of residue 27
GLY
ASN
Atom CA of residue 554
Atom CA of residue 118
Atom CA of residue 442
Atom CA of residue 51
Atom CA of residue 560
Atom O of residue 85
PHE
Atom CA of residue 581
Atom CA of residue 2661
GLU
Atom C of residue 128
Atom CD1 of residue 57
MET
Atom CG of residue 466
SER
LYS
Atom CB of residue 101
Atom CA of residue 236
GLY
LEU
Atom CA of residue 113
Atom CA of residue 20
Atom N of residue 5
Atom CA of residue 31
PRO
Atom CA of residue 33
PHE
Atom CB of residue 499
LYS
Atom CA of residue 122
GLU
Atom CA of residue 106
Atom N of residue 127
TYR
Atom CA of residue 548
ASN
Atom CA of residue 24
mol_3 rigid body rigid body positions
Atom CA of residue 155
GLY
Atom O of residue 452
Atom CE2 of residue 134
LEU
Atom CD of residue 9
Atom CA of residue 497
Atom CA of residue 75
NormalizeRotation5
Atom C of residue 39
LEU
ALA
Atom CG of residue 128
ILE
LEU
SER
Atom CA of residue 278
Atom N of residue 16
Atom CA of residue 3
Atom CA of residue 60
PRO
Atom NE of residue 515
GLY
Atom CA of residue 7
Atom N of residue 5
Atom N of residue 117
Atom CA of residue 77
VAL
Atom CA of residue 8
Atom CA of residue 31
ARG
GLN
LEU
Atom CA of residue 123
Atom CB of residue 47
Atom CA of residue 5
Atom CD2 of residue 62
LYS
LEU
ASP
Atom CA of residue 30
TRP
ALA
Atom O of residue 27
ARG
Atom CG of residue 77
ASP
Atom CA of residue 551
ALA
Atom CA of residue 63
SER
Atom CA of residue 519
Atom O of residue 128
LEU
Atom CA of residue 2673
GLU
Atom CD of residue 466
LEU
GLY
ALA
Atom O of residue 4
Atom OE2 of residue 571
GLN
Chain B
PHE
VAL
Atom CG of residue 499
Atom CA of residue 102
Atom N of residue 83
PHE
Atom CG of residue 58
Atom CA of residue 6
Atom CA of residue 116
TYR
Atom CA of residue 473
Atom C of residue 548
GLU
Atom C of residue 118
Atom CA of residue 114
Atom CA of residue 239
Atom CA of residue 513
Atom CA of residue 86
Atom CD of residue 32
Atom CA of residue 303
Atom CZ of residue 134
Atom CD2 of residue 57
Atom CA of residue 109
Atom CA of residue 575
LYS
SER
GLY
Atom CA of residue 56
Atom CA of residue 372
LYS
Atom CD of residue 128
Atom CA of residue 85
Atom CA of residue 156
Atom CB of residue 452
Atom C of residue 42
VAL
Atom CA of residue 358
ALA
TYR
GLU
Atom CG of residue 523
Atom CB of residue 27
Atom CA of residue 113
Atom CA of residue 433
Model 31
Atom CA of residue 43
Atom C of residue 123
Atom CG of residue 47
Atom CA of residue 251
TYR
Atom CA of residue 78
GLU
Atom CG of residue 101
Atom N of residue 155
Atom CA of residue 109
LYS
Atom CA of residue 443
Atom CA of residue 578
Atom O of residue 39
Atom CA of residue 13
LEU
Atom CA of residue 84
Atom CA of residue 38
GLN
TRP
Atom CZ of residue 515
Atom C of residue 41
Atom CA of residue 287
Atom CA of residue 28
Atom C of residue 106
PHE
ASN
Atom N of residue 467
ALA
Atom CA of residue 101
Atom CA of residue 203
Atom CA of residue 4
Atom CA of residue 483
Atom CA of residue 491
Atom CA of residue 520
Atom C of residue 5
Atom CB of residue 573
Atom CA of residue 104
GLU
Atom CG of residue 116
Atom CD1 of residue 58
Atom CA of residue 140
Atom CA of residue 2674
Atom CA of residue 475
Atom CA of residue 555
PRO
Atom CA of residue 561
Atom CA of residue 497
Atom CA of residue 64
Atom CA of residue 116
GLU
Atom CA of residue 123
Atom CA of residue 563
Atom OH of residue 134
Atom C of residue 26
Atom CA of residue 6
ARG
Atom CA of residue 115
ILE
Atom O of residue 42
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
ASP
Atom CA of residue 125
Atom N of residue 129
GLU
LYS
ASP
Atom CA of residue 328
LEU
Atom CA of residue 465
SER
SER
Atom O of residue 548
PHE
LEU
Atom CA of residue 434
Atom O of residue 118
Atom CA of residue 34
ASN
Atom C of residue 3
Atom CG1 of residue 27
ILE
ASN
Atom N of residue 58
ALA
Atom CA of residue 92
Atom CD of residue 101
PHE
TYR
PRO
GLN
LEU
LEU
Atom CA of residue 16
Atom CD1 of residue 116
Atom CA of residue 79
PRO
Atom CA of residue 453
Atom CA of residue 25
Atom N of residue 453
HIS
ARG
Atom CA of residue 252
Atom CD of residue 499
Atom C of residue 145
Atom NH1 of residue 84
Atom O of residue 41
Atom CA of residue 14
GLY
ASP
Atom CA of residue 279
Atom CD1 of residue 523
Atom CA of residue 102
LEU
Atom CA of residue 76
Atom O of residue 123
ILE
GLU
Atom CA of residue 484
Atom CA of residue 31
ILE
Atom CA of residue 32
Atom CA of residue 83
ASP
Atom CA of residue 141
Atom O of residue 26
Atom CA of residue 64
Atom CB of residue 42
Atom CB of residue 128
Atom CA of residue 127
Atom CA of residue 4
LEU
ARG
HIS
PHE
GLY
Atom O of residue 106
VAL
Atom N of residue 568
ARG
GLU
Atom CB of residue 43
LEU
PRO
Atom CA of residue 124
Atom C of residue 113
Atom CB of residue 118
Atom SG of residue 573
ALA
Atom CA of residue 240
Atom CA of residue 552
Atom CA of residue 83
Atom CD2 of residue 58
PHE
Atom CA of residue 268
Atom CA of residue 27
GLN
ASP
GLN
Atom CA of residue 34
Atom CA of residue 103
Atom CA of residue 357
Atom N of residue 135
Atom CD of residue 47
LEU
Atom CA of residue 110
Atom CA of residue 96
ARG
ALA
LYS
Atom CA of residue 304
LYS
Atom CG of residue 32
Atom CA of residue 116
GLU
Atom C of residue 491
Atom CA of residue 117
THR
Atom CA of residue 476
Atom CB of residue 26
Atom CB of residue 548
Atom NH2 of residue 84
Atom CA of residue 373
ASN
Atom NH1 of residue 515
Atom C of residue 127
ILE
Atom CA of residue 80
Atom CA of residue 514
Atom CA of residue 71
Atom CA of residue 44
Atom CA of residue 110
Atom CA of residue 576
Atom CE of residue 101
Atom C of residue 155
Atom CA of residue 454
GLU
PHE
Atom CG of residue 118
SampledDensityMap30
Atom CA of residue 86
Atom CA of residue 35
Atom CA of residue 157
Atom C of residue 16
Atom CA of residue 444
Atom CG1 of residue 96
Atom O of residue 5
Atom OG of residue 42
Atom CA of residue 549
Atom OE1 of residue 499
ASN
Atom CA of residue 439
ALA
ASN
Atom N of residue 28
ALA
Atom CA of residue 85
Atom CB of residue 123
Atom CA of residue 126
MET
Atom CA of residue 74
Atom CA of residue 288
Atom CG of residue 128
Atom C of residue 83
Atom CB of residue 41
PRO
ASP
VAL
PRO
Atom CA of residue 498
Atom CA of residue 65
Atom CB of residue 106
Atom CA of residue 564
Atom CA of residue 74
Atom CA of residue 93
LYS
VAL
Atom CA of residue 206
CYS
Atom CA of residue 105
Atom CA of residue 579
Atom O of residue 145
GLU
VAL
Atom CE1 of residue 58
SER
GLN
GLY
Atom N of residue 574
Atom CG of residue 26
Atom CA of residue 556
Atom C of residue 5
Atom CA of residue 125
Atom CA of residue 16
Atom NH2 of residue 515
Atom CA of residue 562
GLY
Atom CD2 of residue 523
LEU
THR
ASN
THR
Atom NE of residue 47
ASP
GLN
ALA
ALA
PRO
Atom CA of residue 485
Atom CA of residue 58
Atom CA of residue 467
Atom CA of residue 35
Atom CA of residue 81
Atom SG of residue 43
PHE
VAL
PRO
Atom CA of residue 29
Atom O of residue 491
GLU
LYS
Atom CA of residue 515
MET
Atom N of residue 43
Atom NE2 of residue 499
Atom N of residue 85
Atom O of residue 113
Atom CA of residue 111
Atom O of residue 127
HIS
Atom CG2 of residue 27
Atom NZ of residue 101
Atom CG2 of residue 96
Atom CA of residue 280
THR
THR
Atom CG of residue 41
Atom CA of residue 9
Atom CA of residue 72
Atom OE2 of residue 118
P1
GLY
Atom CA of residue 129
GLU
GLN
Atom CB of residue 5
Atom CA of residue 86
Atom CA of residue 33
TRP
Atom O of residue 16
LYS
Atom CA of residue 28
Atom CB of residue 145
LEU
SER
ARG
Atom CA of residue 32
Atom CA of residue 2675
Atom CD1 of residue 128
PRO
Atom CA of residue 102
MET
Atom CA of residue 580
LEU
ILE
THR
ALA
Atom CA of residue 65
PHE
Atom CA of residue 241
Atom N of residue 524
Atom CB of residue 113
Atom CA of residue 135
GLU
Atom CA of residue 75
Atom CA of residue 10
Atom CA of residue 30
PHE
ARG
Atom C of residue 58
Atom C of residue 467
Atom C of residue 6
Atom O of residue 155
Atom CA of residue 356
Atom CA of residue 441
Atom CA of residue 435
Atom CA of residue 118
SER
Atom O of residue 83
Atom CA of residue 82
LYS
Atom N of residue 516
Atom CG of residue 548
Atom CA of residue 515
Atom N of residue 107
LEU
Atom CA of residue 111
Atom CA of residue 577
Atom C of residue 45
Atom CA of residue 126
Atom CA of residue 374
Atom CA of residue 467
Atom CB of residue 17
Atom CA of residue 97
Atom CA of residue 44
Atom CD1 of residue 41
Atom CA of residue 73
SER
P2
Atom CA of residue 87
Atom CA of residue 253
Atom CA of residue 2663
Atom C of residue 129
Atom CA of residue 305
Atom CA of residue 445
Atom CA of residue 521
LEU
Atom CB of residue 491
Atom CA of residue 43
Atom CA of residue 66
Atom CA of residue 104
HIS
ALA
Atom CA of residue 36
Atom CB of residue 127
Atom CD1 of residue 26
ASP
Atom CG of residue 145
Atom CA of residue 28
Atom CA of residue 111
1tdx.pdb
Atom CA of residue 103
Atom CA of residue 102
PRO
Atom CD1 of residue 96
Atom CA of residue 477
Atom CG of residue 123
SER
PHE
Atom N of residue 147
Atom CA of residue 73
Atom CA of residue 127
THR
THR
Atom CA of residue 289
ASP
Atom CB of residue 16
Atom CG of residue 113
Atom CA of residue 2676
Atom CA of residue 550
Atom C of residue 135
HIS
Atom CA of residue 142
Atom CA of residue 30
Atom CA of residue 106
ASP
Atom CA of residue 94
MET
Atom CG1 of residue 5
Atom CZ of residue 47
Atom CA of residue 557
Atom CA of residue 68
Atom CB of residue 83
Atom O of residue 45
GLN
Atom CA of residue 516
Atom CA of residue 563
Atom CD of residue 548
Atom CA of residue 499
Atom O of residue 570
Atom CA of residue 66
Atom CB of residue 155
ILE
Atom CA of residue 565
GLN
Atom CA of residue 83
Atom N of residue 44
SER
Atom CG of residue 17
GLU
Atom O of residue 58
TYR
THR
Atom O of residue 467
MET
ARG
Atom CA of residue 66
Atom N of residue 119
Atom CA of residue 10
PRO
ARG
GLU
ARG
Atom CD2 of residue 128
GLU
ARG
GLU
Atom CA of residue 482
Atom N of residue 573
LYS
Atom CG of residue 46
Atom CA of residue 76
Atom CD2 of residue 41
Atom CA of residue 455
TYR
Atom CA of residue 254
Atom CA of residue 67
Fit restraint internal rb map
LYS
Atom CA of residue 37
TRP
LYS
GLU
GLY
Atom CD of residue 123
Atom CA of residue 567
Atom CA of residue 112
ASP
Atom CE2 of residue 58
Atom O of residue 129
Atom CA of residue 281
ARG
THR
Atom N of residue 500
Atom CA of residue 136
Atom CB of residue 45
HIS
GLN
LEU
Atom CD2 of residue 26
Atom OE1 of residue 145
ILE
LEU
Atom CA of residue 36
THR
TYR
Atom CA of residue 33
Atom N of residue 97
PRO
Atom CA of residue 204
Atom CA of residue 62
Atom CA of residue 2639
Atom CA of residue 66
TYR
Atom CA of residue 303
Atom CA of residue 31
LEU
Atom CG of residue 491
Atom O of residue 135
Atom CA of residue 68
Atom OE1 of residue 548
GLN
PHE
ASN
Atom CA of residue 107
LYS
ALA
PRO
ALA
ASP
Atom CA of residue 69
LEU
PRO
Atom CA of residue 40
GLY
Atom N of residue 102
Atom CA of residue 442
TYR
VAL
GLU
ILE
Atom CA of residue 84
Atom CA of residue 127
Atom CA of residue 105
Atom CG of residue 83
ALA
Atom CG of residue 16
Atom CD of residue 46
GLN
Atom CA of residue 2664
GLY
ILE
Atom N of residue 124
Atom CA of residue 242
Atom CA of residue 98
Atom CB of residue 467
Atom CA of residue 500
LEU
Atom NH1 of residue 47
Atom CA of residue 1
Atom CA of residue 436
Atom CZ of residue 58
Atom CA of residue 456
Atom CA of residue 119
PHE
Atom CG1 of residue 45
Atom CA of residue 69
PHE
Atom CG2 of residue 5
CYS
Atom C of residue 572
Atom CA of residue 27
Atom CA of residue 516
Atom CA of residue 34
Atom CA of residue 306
VAL
Atom CG of residue 127
Atom CA of residue 112
Atom CA of residue 578
PRO
ASP
Atom CD of residue 113
Atom CA of residue 468
Atom CA of residue 54
Atom CA of residue 88
TYR
Atom CA of residue 87
THR
Atom CA of residue 524
Atom CB of residue 129
Atom CA of residue 522
Atom CD of residue 491
Atom CA of residue 446
Atom NE2 of residue 548
ASN
Atom CA of residue 77
Atom CG of residue 155
Atom C of residue 107
Atom CE1 of residue 128
Atom CA of residue 128
Atom OE2 of residue 145
Atom CA of residue 290
Atom CD of residue 17
Atom CA of residue 517
Atom CA of residue 474
Atom CA of residue 516
PRO
ASP
Atom CA of residue 145
LEU
LYS
Atom CA of residue 43
Atom CA of residue 18
SampledDensityMap84
Atom CB of residue 58
LYS
Atom CA of residue 137
Atom O of residue 21
GLY
Atom CA of residue 32
Atom CA of residue 67
Atom CB of residue 135
Atom CA of residue 500
Atom CA of residue 67
Atom CA of residue 95
Atom CA of residue 128
LEU
VAL
SER
Atom CA of residue 566
SER
Atom C of residue 524
Atom NH2 of residue 47
Atom CA of residue 107
HIS
SER
THR
Atom CA of residue 304
Atom CA of residue 37
Atom N of residue 59
LEU
ILE
Atom CA of residue 53
Atom CA of residue 558
PRO
Atom CD of residue 83
Atom CA of residue 564
THR
LEU
PRO
Atom CD of residue 127
Atom CA of residue 2640
VAL
HIS
Atom CA of residue 38
LYS
ASP
LEU
ASN
THR
Atom CG of residue 467
TYR
Model 37
PRO
GLN
Atom CA of residue 6
Atom NE2 of residue 20
Atom CA of residue 20
SER
LEU
LEU
Atom C of residue 28
GLU
Atom N of residue 6
Atom CA of residue 117
Atom CA of residue 24
LEU
Atom CA of residue 282
Atom CA of residue 88
Atom C of residue 516
python stream rigid body rigid body positions
Atom N of residue 47
Atom OE1 of residue 113
Atom CA of residue 5
Atom C of residue 102
GLU
Atom CA of residue 146
Atom CB of residue 560
Atom CA of residue 44
Atom O of residue 524
Atom C of residue 44
SER
PRO
Atom N of residue 130
ILE
Atom CA of residue 474
Atom OE1 of residue 491
Atom N of residue 46
LEU
Atom CA of residue 119
GLU
Atom O of residue 107
Atom CA of residue 5
Atom CD1 of residue 16
PHE
Atom C of residue 572
Atom NE of residue 17
GLY
Atom CA of residue 118
Atom O of residue 572
Atom N of residue 27
HIS
Atom CA of residue 205
Atom CA of residue 31
Atom N of residue 48
HIS
ILE
LYS
LYS
ALA
PRO
LEU
Atom CA of residue 67
Atom CA of residue 78
Atom CD1 of residue 155
Atom CG2 of residue 135
THR
Atom CA of residue 41
THR
ILE
Atom CA of residue 90
Atom N of residue 128
PRO
Atom CA of residue 106
Atom N of residue 21
VAL
Atom CA of residue 97
SER
Atom CA of residue 148
Atom C of residue 44
Atom CA of residue 37
Atom CA of residue 4
Atom CA of residue 68
Atom CA of residue 2665
THR
Atom CA of residue 44
Atom CA of residue 138
Atom CA of residue 39
GLU
Atom CA of residue 120
Atom CA of residue 10
Atom CG of residue 58
CYS
Atom CA of residue 6
Atom CG of residue 560
GLU
Atom CD of residue 467
Atom C of residue 117
Atom CB of residue 524
Atom CA of residue 517
PHE
Atom CA of residue 113
Atom CB of residue 569
Atom CA of residue 579
GLY
Atom CA of residue 469
Atom CA of residue 2677
Atom CA of residue 99
GLY
Atom CA of residue 25
Atom CA of residue 305
Atom CA of residue 307
LYS
Atom CE2 of residue 128
Atom CA of residue 89
Atom CA of residue 447
Atom CG2 of residue 45
Atom CA of residue 129
TRP
Atom C of residue 119
Atom CA of residue 3
Atom CD2 of residue 16
Atom CA of residue 68
Atom CA of residue 518
Atom O of residue 516
ARG
Atom CA of residue 561
CYS
Atom N of residue 146
MET
Atom CA of residue 114
Atom O of residue 102
GLN
Atom CA of residue 55
MET
Atom CB of residue 572
Atom CA of residue 42
Atom CA of residue 129
Atom CA of residue 291
Atom CA of residue 437
Atom CA of residue 59
Atom CA of residue 124
python stream rigid body rigid body positions
Atom CA of residue 525
Atom NE2 of residue 491
Atom CA of residue 11
Atom OG1 of residue 135
LEU
ASN
Atom N of residue 549
PRO
Atom CA of residue 6
Atom N of residue 93
LEU
Atom C of residue 97
LYS
Atom CA of residue 96
PHE
GLN
Atom CA of residue 255
Atom CA of residue 108
Atom O of residue 117
Atom CA of residue 69
Atom O of residue 28
Atom CA of residue 17
Atom CA of residue 38
Atom CA of residue 33
GLY
Atom CA of residue 440
Atom CD1 of residue 58
Atom CA of residue 454
Atom CA of residue 46
ASP
Atom CD1 of residue 560
Atom CA of residue 565
Atom CA of residue 501
Atom OE1 of residue 83
Atom CA of residue 40
SampledDensityMap81
LYS
PRO
Atom CA of residue 567
PHE
Atom CA of residue 119
Atom CA of residue 68
Atom CA of residue 2641
LEU
Atom C of residue 500
Atom O of residue 44
Atom CA of residue 147
LEU
THR
Atom CA of residue 138
Atom OE2 of residue 113
Atom CZ of residue 128
ALA
Atom CA of residue 79
LEU
Atom CD2 of residue 155
GLU
TRP
GLN
SER
VAL
ASP
Atom O of residue 119
PHE
Atom OE1 of residue 467
Atom NE1 of residue 16
PHE
LYS
SER
Atom C of residue 27
LYS
Atom CA of residue 67
GLY
Atom CB of residue 107
LEU
Atom OG1 of residue 44
Atom CA of residue 139
Atom CA of residue 283
Atom C of residue 124
ASN
Atom CA of residue 47
Atom CA of residue 130
Atom CZ of residue 17
GLU
LYS
VAL
LEU
Atom CA of residue 46
GLN
GLY
ASP
Atom N of residue 120
Atom CA of residue 51
Atom NE1 of residue 41
ASP
GLU
Atom CB of residue 516
Atom CA of residue 26
Atom CA of residue 38
ALA
HIS
Atom CB of residue 102
Atom CA of residue 306
Atom CA of residue 48
Atom OG of residue 572
Atom CB of residue 28
Atom C of residue 59
GLU
LYS
Atom O of residue 500
LEU
Atom CA of residue 47
Atom CA of residue 492
Atom C of residue 6
ALA
SER
Atom OE2 of residue 83
Atom CG of residue 524
ASP
Atom CA of residue 457
ASN
ILE
THR
GLN
Atom CA of residue 70
Atom CB of residue 44
TYR
Atom CA of residue 50
ASN
Atom CA of residue 134
Atom O of residue 97
Atom CA of residue 32
Atom N of residue 129
ASP
LYS
Atom CA of residue 107
ASP
GLY
Atom CD2 of residue 58
THR
Atom CA of residue 2666
VAL
Atom CD2 of residue 560
GLU
Atom CA of residue 91
ASP
Atom CA of residue 138
Atom CA of residue 100
GLY
GLY
Atom CA of residue 45
Atom CA of residue 68
Atom CA of residue 121
Atom N of residue 136
ASP
Atom CA of residue 26
Atom CB of residue 119
Atom CA of residue 308
GLU
Atom CA of residue 120
Atom CA of residue 549
Atom OE2 of residue 467
LEU
Atom O of residue 21
GLN
GLY
Atom CA of residue 518
ALA
Atom CA of residue 438
Atom CA of residue 114
Atom CA of residue 562
Atom CB of residue 500
GLY
Atom C of residue 47
Atom N of residue 114
Atom CA of residue 470
Atom CA of residue 56
Atom CA of residue 2678
GLU
Atom C of residue 48
Atom CA of residue 128
LEU
Atom CA of residue 80
CYS
Atom CG of residue 28
python stream rigid body rigid body positions
Atom CA of residue 69
Atom O of residue 124
Atom CA of residue 90
ALA
Atom CA of residue 448
Atom O of residue 6
ALA
Atom N of residue 45
Atom CE1 of residue 155
Atom CA of residue 519
VAL
Atom CA of residue 140
ALA
Atom CA of residue 141
TYR
Atom C of residue 130
Atom CG1 of residue 107
PRO
GLY
Atom O of residue 59
Atom NH1 of residue 17
ILE
Atom CA of residue 526
LEU
Atom CA of residue 51
Atom CA of residue 293
Chain  
Atom CA of residue 70
Atom CA of residue 502
Atom CA of residue 20
ARG
Atom CE2 of residue 16
Atom O of residue 572
Atom CE2 of residue 41
Atom C of residue 93
THR
GLN
Atom CA of residue 568
Atom C of residue 128
GLU
Atom CA of residue 307
Atom CG2 of residue 44
Atom CG of residue 516
Atom CA of residue 2637
Atom CA of residue 130
LEU
Atom CA of residue 256
Atom CA of residue 109
Atom CA of residue 89
Atom O of residue 27
LYS
ILE
Atom CA of residue 39
GLY
ASN
Atom CE1 of residue 58
Atom N of residue 84
TYR
Atom CA of residue 143
Atom CA of residue 21
Atom N of residue 492
Atom CA of residue 566
ALA
Atom C of residue 549
Atom C of residue 120
Atom CA of residue 143
VAL
LEU
ARG
Atom CA of residue 2642
Atom CG of residue 500
Atom CD of residue 524
Atom CA of residue 97
ARG
Atom CA of residue 24
VAL
GLU
Atom O of residue 48
Atom CA of residue 27
THR
Atom CA of residue 135
Atom CA of residue 523
GLY
Atom CA of residue 44
ARG
ILE
Atom N of residue 561
Atom O of residue 47
GLY
GLY
Atom CA of residue 284
Atom OD1 of residue 59
Atom CA of residue 45
Atom CB of residue 568
PRO
HIS
PRO
ILE
Atom CA of residue 143
Atom CG2 of residue 107
Atom CA of residue 80
Atom CB of residue 6
Atom CH2 of residue 41
Atom CG of residue 102
Atom CD of residue 118
Atom NH2 of residue 17
Atom CA of residue 460
Atom CB of residue 97
Atom CB of residue 124
Atom CA of residue 39
GLU
Atom CA of residue 121
Atom CA of residue 61
ASN
PHE
Atom O of residue 130
LYS
Atom CB of residue 572
Atom CA of residue 52
ILE
Atom CD1 of residue 516
GLU
Atom CA of residue 45
Fit restraint scratch map
Atom CA of residue 33
LYS
ILE
PHE
Atom CA of residue 559
Atom CA of residue 5
Atom CB of residue 59
SER
Atom CA of residue 84
GLY
Atom CD of residue 28
GLU
TYR
LEU
ASP
Atom CA of residue 129
PRO
Atom CA of residue 108
Atom CA of residue 71
Atom CA of residue 228
ARG
Atom CE2 of residue 155
VAL
Atom CA of residue 458
Atom CA of residue 92
Atom O of residue 128
ILE
Atom CB of residue 27
TRP
Atom CA of residue 2667
Atom CA of residue 144
ILE
ASN
Atom CA of residue 46
ARG
Atom CA of residue 25
Atom CA of residue 122
PRO
Atom N of residue 48
Atom N of residue 45
ARG
Atom O of residue 549
Atom CA of residue 519
Atom CA of residue 439
Atom CA of residue 308
Atom CA of residue 139
Atom CA of residue 115
Atom C of residue 570
Atom CA of residue 471
LYS
Atom CA of residue 2679
Atom CA of residue 101
Atom OD1 of residue 102
Atom N of residue 18
THR
Atom CA of residue 91
Atom CE of residue 524
Atom C of residue 46
ALA
THR
LEU
Atom CA of residue 45
Atom CA of residue 51
Atom CA of residue 70
LEU
Atom OD2 of residue 59
ARG
Atom CA of residue 145
Atom CA of residue 309
Atom CG of residue 77
Atom CA of residue 520
ALA
Atom SD of residue 48
Atom CA of residue 36
VAL
Atom O of residue 93
Atom CA of residue 57
Atom CD1 of residue 107
Atom CG of residue 6
VAL
Atom CD of residue 500
Atom OE1 of residue 118
LEU
Atom CG of residue 124
LYS
ILE
Atom C of residue 492
Atom CA of residue 466
Atom CA of residue 11
Atom CZ of residue 155
Atom CB of residue 130
ALA
Atom CA of residue 136
Atom CA of residue 2645
Atom N of residue 468
Atom CA of residue 27
GLY
Atom CA of residue 432
Atom CA of residue 26
Atom CD2 of residue 516
Atom CA of residue 2646
PHE
Atom CA of residue 28
Atom CA of residue 257
Atom CA of residue 110
PRO
Atom C of residue 114
VAL
Atom CG of residue 97
ARG
Atom CA of residue 122
Atom CD of residue 145
Atom N of residue 29
Atom N of residue 42
Atom CA of residue 144
PRO
Atom CA of residue 45
Atom C of residue 76
Atom CA of residue 567
Atom O of residue 120
Atom CA of residue 503
Atom CA of residue 131
Atom CA of residue 30
Atom CA of residue 294
Atom CA of residue 40
Atom CA of residue 569
Atom CB of residue 128
LYS
ALA
Atom NZ of residue 524
GLU
VAL
Atom CA of residue 46
Atom CA of residue 48
TYR
Atom OD2 of residue 102
LYS
Atom CA of residue 462
Atom CA of residue 90
ARG
Atom CA of residue 142
HIS
ALA
Atom CG of residue 59
ARG
ALA
SER
Atom CB of residue 93
THR
Atom CB of residue 549
Atom CA of residue 561
Atom C of residue 129
THR
ALA
LEU
Atom CA of residue 285
GLU
GLN
LYS
Atom CA of residue 45
VAL
ALA
Atom CA of residue 524
MET
Atom CG of residue 27
Atom CE2 of residue 58
THR
Atom N of residue 156
Atom CA of residue 309
CYS
Atom CG of residue 76
PRO
GLY
Fit restraint scratch map
LYS
Atom CA of residue 40
LYS
Atom CA of residue 2638
VAL
VAL
GLU
Atom OD1 of residue 124
VAL
Atom CE of residue 48
Atom CA of residue 52
Atom N of residue 108
Atom CA of residue 81
Atom CA of residue 257
ARG
Atom CE of residue 500
GLN
ALA
ALA
Atom CD1 of residue 97
Atom CA of residue 82
Atom CA of residue 560
ILE
Atom CA of residue 29
LYS
Atom C of residue 45
Atom O of residue 492
ASN
TYR
Atom CA of residue 459
Atom CD of residue 77
ALA
Atom OD1 of residue 6
Atom C of residue 136
CYS
LYS
Chain C
Atom CA of residue 146
LEU
Atom N of residue 517
ARG
Atom O of residue 46
Atom CA of residue 31
Atom CA of residue 229
Atom N of residue 103
Atom CA of residue 464
LYS
ILE
ASN
Atom CB of residue 120
Atom CA of residue 85
ILE
Atom C of residue 508
CYS
ALA
Atom CD of residue 59
GLU
Atom CG of residue 93
Atom NH1 of residue 61
Atom CG of residue 130
Atom CA of residue 93
Atom CA of residue 525
VAL
Atom CA of residue 102
ARG
Atom CA of residue 18
Atom CA of residue 123
Atom CA of residue 47
LYS
ARG
Atom CA of residue 123
Atom CZ of residue 58
Atom CA of residue 109
GLU
ALA
Atom CA of residue 76
Atom CA of residue 18
Atom CA of residue 468
Atom CA of residue 520
ASN
Atom CA of residue 440
Atom CA of residue 2668
GLU
P0
Atom CA of residue 116
Atom CA of residue 32
Atom O of residue 114
Atom CA of residue 472
Atom CA of residue 58
GLY
Atom CA of residue 2680
GLY
Atom CA of residue 501
Atom CA of residue 21
ALA
GLY
GLU
ILE
Atom CA of residue 310
Atom CA of residue 92
LEU
LEU
PRO
THR
ASP
Atom C of residue 561
Atom CA of residue 35
Atom N of residue 60
Atom O of residue 508
Atom C of residue 84
ALA
PHE
Atom CA of residue 521
Atom ND2 of residue 124
ILE
Atom CA of residue 30
ARG
ASP
Atom CB of residue 46
Atom CA of residue 108
MET
Atom N of residue 572
Atom CA of residue 139
Atom CA of residue 292
GLN
Atom CA of residue 71
Atom CD2 of residue 97
Atom CA of residue 213
Atom O of residue 136
Atom O of residue 129
Atom CD of residue 27
GLU
Atom CA of residue 32
Atom CA of residue 310
Atom NH2 of residue 61
Atom CB of residue 492
Atom CA of residue 504
Atom CA of residue 41
CYS
Atom NE of residue 77
Atom CA of residue 570
ALA
ASN
Atom CA of residue 27
Atom CA of residue 29
ARG
Atom CG of residue 128
Atom CA of residue 517
ILE
PRO
Atom CA of residue 455
Atom O of residue 45
Atom C of residue 18
Atom CA of residue 258
Atom CA of residue 111
Atom CA of residue 91
GLN
LEU
Atom CA of residue 52
SER
Atom CE of residue 59
PRO
Atom CA of residue 450
Atom N of residue 59
Atom CB of residue 114
LYS
Atom CA of residue 568
VAL
Atom C of residue 468
ILE
MET
PHE
Atom CD of residue 130
LEU
Atom CG of residue 549
Atom CG of residue 120
SER
ALA
ALA
Atom N of residue 130
Atom N of residue 525
PRO
GLN
Atom N of residue 49
CYS
Atom C of residue 29
Atom CA of residue 531
Atom CA of residue 286
Atom CA of residue 207
Atom CA of residue 47
PHE
Atom O of residue 84
Atom OD1 of residue 93
GLY
LYS
Atom CA of residue 9
Atom CA of residue 129
Atom N of residue 47
Atom CA of residue 156
Atom CA of residue 15
Atom CA of residue 82
Atom OD2 of residue 6
Atom O of residue 561
Atom CA of residue 126
Atom CA of residue 41
ASN
Atom CA of residue 230
THR
Atom CA of residue 60
Atom C of residue 48
Atom CE3 of residue 41
TRP
Atom N of residue 62
Atom CA of residue 463
LYS
SER
Atom CA of residue 153
Atom CA of residue 2639
Atom CA of residue 33
Atom CA of residue 214
Atom N of residue 125
Atom CD1 of residue 128
ILE
Atom CA of residue 66
Atom O of residue 18
GLN
SER
GLN
LEU
Atom O of residue 468
Atom CA of residue 48
GLN
Atom O of residue 47
LYS
Atom N of residue 98
Atom CA of residue 83
LEU
GLY
Atom CB of residue 136
GLY
Atom NE of residue 27
LYS
Atom CA of residue 258
Atom NZ of residue 500
Atom CA of residue 110
Atom CG of residue 114
VAL
SER
Atom CA of residue 2643
Atom CA of residue 22
GLU
CYS
Atom CA of residue 2669
Atom CA of residue 460
Atom CA of residue 94
Atom CA of residue 127
GLY
Atom CA of residue 150
ASN
Atom CA of residue 34
SER
Atom O of residue 133
Atom CA of residue 49
Atom CA of residue 33
Atom CA of residue 86
Atom CA of residue 48
Atom CB of residue 84
Atom CA of residue 311
Atom NZ of residue 59
Atom CA of residue 136
Atom CA of residue 124
ASP
Atom CA of residue 77
Atom CA of residue 208
Atom CA of residue 521
Atom CA of residue 449
VAL
ASP
Atom CA of residue 117
PRO
Atom CA of residue 47
Atom CA of residue 473
Atom CA of residue 2681
Atom CA of residue 103
Atom CA of residue 131
Atom C of residue 108
VAL
Atom CA of residue 14
Atom CA of residue 141
Atom CA of residue 103
MET
GLN
SER
Atom CA of residue 154
GLY
PHE
Atom CA of residue 311
MET
Atom N of residue 7
Atom CA of residue 5
TYR
THR
Atom CA of residue 20
ASN
Atom CA of residue 53
Atom CA of residue 522
Atom CB of residue 44
Atom CD2 of residue 128
ALA
Atom O of residue 48
ARG
Atom CA of residue 59
Atom CZ of residue 77
Atom CB of residue 561
GLN
GLN
Atom C of residue 517
Atom OD1 of residue 549
Atom CD1 of residue 120
THR
Atom CA of residue 507
Atom CA of residue 140
Atom CB of residue 133
LEU
HIS
MapReaderWriter2
Atom CA of residue 125
Atom CA of residue 59
Atom CB of residue 571
LEU
Atom CZ2 of residue 41
P5
Atom CA of residue 2660
GLN
ASN
Atom CG of residue 492
Atom CA of residue 95
LEU
Atom OE1 of residue 130
ALA
ARG
Atom OD2 of residue 93
Atom CA of residue 259
Atom CA of residue 112
Atom CB of residue 468
VAL
ARG
Atom N of residue 48
Atom C of residue 156
Atom CA of residue 42
ALA
LEU
Atom CA of residue 451
Atom CA of residue 9
Atom CA of residue 98
Atom CG1 of residue 136
LYS
Atom CA of residue 441
Atom CA of residue 569
THR
Atom CA of residue 2638
Atom O of residue 29
Atom CD of residue 48
GLY
GLU
Atom CA of residue 571
Atom O of residue 44
ILE
LYS
Atom CA of residue 10
LYS
ASN
ILE
PHE
GLU
Atom C of residue 49
Atom CA of residue 92
GLU
Atom N of residue 501
Atom CA of residue 2640
Atom CA of residue 49
GLY
Atom C of residue 103
Atom CA of residue 60
Atom CA of residue 461
Atom CA of residue 130
VAL
PHE
VAL
1tdx.pdb
Atom C of residue 60
Atom CD of residue 114
Atom CE1 of residue 128
Atom CA of residue 128
Atom CA of residue 29
Atom CB of residue 18
LYS
Atom CG of residue 115
LEU
MET
TYR
Atom CA of residue 312
Atom O of residue 108
LEU
Atom CA of residue 42
Atom CA of residue 32
Atom CA of residue 209
Atom CA of residue 231
Atom OD1 of residue 492
Atom CZ of residue 27
Atom CA of residue 508
LYS
Atom NE2 of residue 130
Atom CA of residue 62
Atom CA of residue 532
Atom C of residue 525
ALA
ARG
Atom CA of residue 83
GLY
Atom CA of residue 6
Atom O of residue 517
Atom CA of residue 19
ILE
Atom CD2 of residue 120
LYS
Atom CA of residue 142
Atom CA of residue 84
MapReaderWriter45
Atom C of residue 59
Atom CA of residue 12
Atom CZ3 of residue 41
GLU
Atom C of residue 130
Atom CG of residue 84
LEU
LYS
Atom CA of residue 461
GLU
LYS
ILE
ASP
Atom CA of residue 111
Atom C of residue 31
THR
ASP
Atom NH1 of residue 77
Atom CA of residue 151
PRO
Atom CA of residue 113
Atom OD2 of residue 549
PRO
Atom CA of residue 2670
Atom N of residue 562
ASP
LEU
ALA
Atom CA of residue 87
Atom O of residue 60
ALA
PRO
GLY
Atom C of residue 145
Atom CA of residue 2644
Atom CG of residue 76
Atom CG of residue 133
Atom CA of residue 259
Atom CA of residue 34
Atom CB of residue 29
Atom CA of residue 42
Atom CA of residue 95
THR
Atom CA of residue 30
VAL
Model 15
Atom CA of residue 38
Atom CA of residue 104
PHE
Atom CA of residue 137
PRO
Atom O of residue 49
Atom CG of residue 468
Atom CA of residue 49
Atom O of residue 103
Atom CA of residue 125
Atom C of residue 47
Atom CA of residue 2661
Atom CA of residue 78
Atom OD2 of residue 492
LEU
LEU
Atom NE of residue 114
Atom CA of residue 522
Atom O of residue 156
Atom CA of residue 147
Atom C of residue 62
Atom CA of residue 118
Atom CE of residue 48
ARG
Atom CA of residue 474
Atom N of residue 19
ILE
Atom CA of residue 312
Atom CA of residue 60
GLU
Atom CA of residue 2682
Atom CA of residue 121
SER
Atom O of residue 525
Atom CB of residue 108
LYS
Atom N of residue 60
Atom CA of residue 13
Atom C of residue 98
LEU
LYS
Atom CA of residue 215
Atom CA of residue 146
GLU
Atom CA of residue 48
Atom NH2 of residue 77
GLN
PRO
Atom CA of residue 523
Atom CG2 of residue 136
Atom N of residue 94
Atom CA of residue 313
Atom CB of residue 517
Atom CB of residue 60
THR
Atom CA of residue 2639
Atom CA of residue 22
SER
THR
Atom CB of residue 21
Atom O of residue 59
Atom CA of residue 210
Atom CA of residue 39
VAL
Atom NH1 of residue 27
Atom N of residue 131
SER
Atom CA of residue 572
TYR
Atom O of residue 31
Atom CB of residue 156
Atom CA of residue 43
Atom C of residue 125
Atom CA of residue 106
Atom CA of residue 15
PHE
Atom CA of residue 260
Atom CA of residue 113
Atom CA of residue 93
GLU
Atom CA of residue 39
GLU
Atom CA of residue 23
GLN
ILE
Atom CA of residue 452
PRO
THR
Atom CA of residue 442
GLU
GLU
Atom N of residue 493
GLU
Atom CA of residue 570
Atom CA of residue 2641
Atom CA of residue 137
LEU
ASP
Atom O of residue 62
Atom CA of residue 114
LYS
Atom CD of residue 84
LEU
LYS
Atom CA of residue 93
GLU
Atom N of residue 550
Atom N of residue 121
ILE
PHE
Atom CA of residue 71
Atom CA of residue 70
Atom CG2 of residue 108
Atom CB of residue 103
GLN
LEU
Atom CG of residue 149
Atom C of residue 501
Atom OG1 of residue 29
Atom CB of residue 40
ILE
LYS
LEU
Atom CA of residue 16
Atom CA of residue 50
Atom C of residue 48
LEU
LEU
Atom CD1 of residue 136
Atom OE2 of residue 21
Atom O of residue 130
Atom CA of residue 80
Atom O of residue 145
Atom CA of residue 232
Atom CA of residue 84
Atom CE2 of residue 128
Atom C of residue 90
THR
Atom CA of residue 216
Atom CA of residue 155
Atom CA of residue 533
Atom O of residue 98
LEU
Atom NH2 of residue 27
Atom CA of residue 33
LEU
ALA
ILE
SER
Atom N of residue 157
Atom CA of residue 152
ILE
Atom CA of residue 562
ALA
LEU
Atom CA of residue 95
LEU
Atom CA of residue 112
Atom NZ of residue 48
ASP
THR
Atom CD of residue 133
Atom CA of residue 85
SER
LYS
VAL
ALA
GLY
Atom CB of residue 59
Atom CD of residue 468
Atom CA of residue 43
Atom CA of residue 51
SER
Atom CA of residue 2671
GLU
Atom CA of residue 124
Atom O of residue 125
LEU
TYR
Atom CZ of residue 114
Atom CA of residue 462
Atom CA of residue 96
Atom CB of residue 48
Atom CA of residue 314
LYS
Atom CA of residue 35
CYS
Atom N of residue 78
ASN
Atom CA of residue 88
Atom CA of residue 50
Atom CG of residue 60
Atom CA of residue 35
Atom CA of residue 211
Atom C of residue 60
Atom CA of residue 126
MET
Atom CB of residue 130
Atom CA of residue 73
Atom CB of residue 145
Atom N of residue 23
Atom CA of residue 79
ILE
SER
Atom O of residue 90
Atom CB of residue 48
Atom CA of residue 523
Atom CA of residue 22
Atom CA of residue 119
LEU
ARG
Atom CA of residue 475
Atom CA of residue 22
Atom CA of residue 134
Atom CA of residue 2683
Atom CZ of residue 128
Atom CA of residue 2644
Atom CB of residue 525
ASN
PRO
VAL
Atom OG1 of residue 108
GLU
Atom NE of residue 84
Atom CG2 of residue 29
ASN
PHE
Atom CA of residue 131
GLU
Atom CA of residue 115
GLY
ALA
Atom CA of residue 524
Atom N of residue 137
HIS
GLY
Atom CA of residue 443
Atom CA of residue 94
Atom CA of residue 534
Atom CA of residue 61
NormalizeRotation4
Atom CA of residue 2640
Atom CA of residue 313
Atom N of residue 134
VAL
Atom CG of residue 517
Atom CA of residue 109
Atom CE of residue 468
TYR
Atom CB of residue 98
Atom CA of residue 17
Atom CA of residue 138
Atom CB of residue 62
ASP
LYS
PRO
Atom CA of residue 157
Atom CA of residue 29
ALA
Atom CA of residue 38
Atom C of residue 121
Atom C of residue 40
Atom C of residue 562
Atom CB of residue 32
Atom CA of residue 261
Atom CA of residue 114
ASN
PRO
Atom CA of residue 24
ILE
Atom CB of residue 90
ILE
Atom CA of residue 453
Atom CG of residue 130
GLY
Atom CA of residue 260
Atom CA of residue 16
GLU
Atom CG of residue 145
GLU
Atom CA of residue 44
Atom CB of residue 125
Atom CA of residue 571
Atom CA of residue 19
Atom CA of residue 573
Atom CG of residue 48
Atom N of residue 28
Atom CA of residue 81
SER
Atom O of residue 501
GLN
Atom C of residue 149
Atom N of residue 129
Atom CA of residue 550
LEU
HIS
Atom CZ of residue 84
Atom CA of residue 456
LEU
Atom CA of residue 509
LEU
Atom CD of residue 60
GLN
LEU
Atom O of residue 60
ALA
Atom CA of residue 125
Atom CG of residue 59
VAL
Atom CA of residue 52
Atom NH1 of residue 114
GLY
LYS
Atom CG of residue 103
PHE
Atom CA of residue 135
Atom CA of residue 139
LYS
Atom OG of residue 525
Atom NZ of residue 48
Atom CA of residue 315
LEU
LYS
Atom N of residue 31
TYR
PRO
Atom C of residue 94
ARG
ASP
Atom N of residue 22
Model 34
Atom CA of residue 505
Atom CA of residue 212
Atom CB of residue 48
PRO
GLY
Atom CA of residue 94
Atom CD1 of residue 517
Atom NZ of residue 468
Atom CA of residue 44
Atom CA of residue 233
LYS
Atom CA of residue 34
ALA
Atom N of residue 30
Atom CA of residue 74
Atom C of residue 131
PRO
LEU
Atom CA of residue 153
ALA
Atom CA of residue 493
TYR
Atom CA of residue 96
Atom CG1 of residue 90
Atom CA of residue 43
ALA
MET
LEU
Atom CB of residue 501
Atom CA of residue 116
Atom CA of residue 69
GLU
Atom CA of residue 113
Atom CG of residue 62
Atom C of residue 19
Atom CA of residue 463
ASP
CYS
Atom CA of residue 7
TYR
LEU
ARG
ILE
ILE
THR
Atom CA of residue 2672
ASP
PHE
Atom N of residue 109
SER
Atom CB of residue 65
Atom CA of residue 34
Atom C of residue 550
THR
Atom CA of residue 78
Atom O of residue 149
Atom O of residue 562
GLU
Atom CA of residue 89
Atom CA of residue 132
Atom CA of residue 88
ALA
Atom CD of residue 59
Atom CA of residue 36
Atom CB of residue 31
Atom NH2 of residue 114
Atom CD1 of residue 103
Atom CA of residue 457
PRO
Atom CG2 of residue 125
Atom CA of residue 97
SER
GLY
PRO
Atom O of residue 94
GLY
GLY
ILE
Atom CD2 of residue 517
Atom CA of residue 70
Atom CA of residue 51
Atom CB of residue 60
Atom CA of residue 127
Atom CA of residue 150
ASP
Atom CA of residue 21
PHE
Atom CA of residue 3
Atom CA of residue 23
Atom OD1 of residue 130
Atom CD of residue 145
Atom N of residue 77
Atom CA of residue 524
ARG
LYS
THR
Atom C of residue 493
Atom CA of residue 137
Atom CA of residue 120
Atom CA of residue 2645
GLU
Atom CA of residue 476
Atom CA of residue 140
Atom CA of residue 62
Atom CA of residue 2684
Atom CA of residue 97
SER
ILE
ASP
ASN
ILE
Atom CA of residue 12
Atom OG of residue 568
Atom O of residue 121
LEU
Atom N of residue 502
Atom CG of residue 135
Atom CA of residue 444
LYS
Atom CA of residue 82
Atom O of residue 19
Atom CA of residue 314
TYR
Atom CG of residue 98
PRO
Atom O of residue 131
Atom CA of residue 525
Atom OG1 of residue 65
Atom CA of residue 21
Atom O of residue 550
Atom CA of residue 213
Atom CG of residue 48
Atom CA of residue 46
Atom C of residue 78
ALA
Atom CA of residue 2641
THR
Atom CA of residue 45
Atom NE of residue 60
Atom N of residue 115
Atom CD2 of residue 103
Atom CB of residue 94
Atom CG1 of residue 125
Atom CA of residue 133
Atom CA of residue 75
Atom N of residue 49
Atom CA of residue 44
LEU
Atom CA of residue 574
Atom CA of residue 28
Atom CA of residue 261
Atom CA of residue 82
SER
Atom CA of residue 316
ILE
Atom CA of residue 458
Atom CA of residue 129
LYS
Atom N of residue 526
Atom CA of residue 45
Atom CB of residue 562
Atom CA of residue 262
Atom CA of residue 115
Atom N of residue 518
Atom N of residue 469
TYR
GLN
ARG
Atom NH1 of residue 84
ASP
Atom CA of residue 454
Atom CA of residue 117
LYS
Atom CE of residue 59
Atom CG of residue 31
Atom CG2 of residue 90
Atom C of residue 157
Atom CA of residue 217
Atom CG2 of residue 148
Atom CA of residue 572
ALA
Atom CA of residue 22
LYS
LEU
VAL
Atom SD of residue 62
Atom CA of residue 141
LEU
PRO
Atom O of residue 2
GLY
Atom CB of residue 19
ARG
Atom CA of residue 510
GLU
ALA
Atom CB of residue 550
Atom CA of residue 2632
ALA
LEU
Atom CA of residue 24
MET
ALA
Atom CD of residue 98
Atom CA of residue 45
Atom CA of residue 506
Atom OE1 of residue 145
Atom CA of residue 234
Atom CA of residue 2663
GLU
Atom CA of residue 535
Atom CA of residue 154
Atom O of residue 493
SER
Atom CB of residue 121
Atom CA of residue 25
Atom CA of residue 53
Atom C of residue 46
Atom O of residue 78
Atom C of residue 137
GLN
ALA
THR
Atom CA of residue 83
GLN
Atom CA of residue 486
ILE
Atom CA of residue 151
PHE
Atom CZ of residue 60
PHE
ALA
ALA
ARG
Atom NE1 of residue 103
Atom CA of residue 35
UnaryFunction0
Atom C of residue 28
Atom CE of residue 48
Atom CB of residue 131
Atom ND2 of residue 130
GLU
GLY
HIS
GLY
Atom CA of residue 19
VAL
VAL
Atom NH2 of residue 84
Atom CA of residue 30
PHE
LEU
GLU
SER
SER
GLU
Atom CA of residue 2642
Atom OD1 of residue 31
PHE
SER
GLU
GLY
Atom CA of residue 464
TYR
Atom CA of residue 8
Atom CA of residue 214
Atom CE of residue 62
Atom C of residue 129
GLN
Atom CD1 of residue 90
PRO
Atom CA of residue 89
THR
Atom CG2 of residue 65
ASN
Atom CA of residue 90
Atom CA of residue 52
Atom CA of residue 41
Atom CA of residue 74
Atom CA of residue 128
Atom CG of residue 21
Atom NZ of residue 59
Atom CA of residue 114
Atom CG of residue 60
PHE
Atom OE1 of residue 98
Atom N of residue 149
Atom CA of residue 525
Atom CA of residue 2673
Atom CA of residue 459
LYS
PHE
Atom CA of residue 121
Atom CA of residue 25
Atom CA of residue 477
Atom CA of residue 2685
MET
VAL
HIS
GLU
Atom CA of residue 487
Atom CA of residue 118
ASP
ARG
Atom O of residue 135
ARG
Atom CD2 of residue 41
Atom O of residue 157
Atom CA of residue 445
Atom CA of residue 536
Atom CD1 of residue 125
HIS
GLN
Atom CA of residue 109
Atom O of residue 28
Atom CA of residue 53
THR
ASP
Atom CG1 of residue 94
Atom CB of residue 493
Atom CA of residue 526
Atom CA of residue 105
Atom O of residue 46
TRP
Atom CA of residue 315
Atom CA of residue 63
Atom CA of residue 86
Atom O of residue 137
LYS
Atom CA of residue 469
Atom CA of residue 2642
ALA
LYS
Atom CA of residue 46
TYR
VAL
VAL
VAL
SER
Atom CA of residue 56
Atom CA of residue 69
Atom CA of residue 502
PHE
Atom CA of residue 55
Atom C of residue 30
Atom CA of residue 115
ARG
Atom N of residue 63
Atom CA of residue 38
Atom CB of residue 78
GLU
GLU
LEU
Atom CA of residue 36
Atom CA of residue 91
Atom NE1 of residue 41
Atom CA of residue 116
Atom CA of residue 152
Atom CA of residue 262
GLY
Atom NH1 of residue 60
Atom N of residue 85
ASP
Atom CA of residue 317
THR
Atom CA of residue 455
Atom CG of residue 562
Atom CA of residue 526
Atom CD1 of residue 60
Atom CG of residue 19
VAL
Atom OE2 of residue 98
Atom N of residue 40
Atom CA of residue 573
Atom CG of residue 121
Atom OE2 of residue 145
Atom CA of residue 42
Atom C of residue 2
Atom CA of residue 46
LEU
Atom CA of residue 575
THR
Atom CG of residue 550
CYS
Atom CG of residue 48
Atom N of residue 132
PRO
Atom CA of residue 20
Atom CA of residue 83
Atom N of residue 66
Atom O of residue 129
Atom CB of residue 28
Atom CA of residue 511
SER
ASN
Atom CA of residue 60
LYS
GLY
SER
Atom CA of residue 218
ASN
GLN
Atom CA of residue 215
Atom N of residue 147
Atom CA of residue 155
ALA
Atom ND2 of residue 31
Atom CB of residue 46
Atom CB of residue 157
LYS
LEU
Atom CA of residue 265
Atom CA of residue 46
Atom CA of residue 235
Atom C of residue 109
Atom CA of residue 26
GLU
Atom CA of residue 518
GLY
Atom CA of residue 36
Atom CA of residue 2633
ASN
Atom CD of residue 21
ALA
Atom CA of residue 94
Atom CA of residue 148
LYS
Atom C of residue 502
ALA
LYS
Atom CG2 of residue 94
Atom CG of residue 78
Atom CA of residue 86
Atom N of residue 131
PRO
Atom C of residue 526
GLU
Atom CB of residue 137
Atom CA of residue 119
Atom NH2 of residue 60
LEU
Atom CA of residue 32
Atom CD1 of residue 562
Atom CA of residue 13
Atom CA of residue 12
Atom C of residue 469
Atom CA of residue 115
ILE
Atom CA of residue 2664
Atom CD2 of residue 60
LEU
ASP
HIS
Atom CE of residue 146
Atom CE2 of residue 103
Atom CA of residue 2674
GLY
Atom CA of residue 469
PHE
ILE
Atom CA of residue 145
Atom CA of residue 156
Atom O of residue 30
PRO
Atom CA of residue 63
VAL
GLU
Atom N of residue 32
MET
Atom CA of residue 66
CYS
Atom CA of residue 91
Atom CA of residue 2643
Atom CA of residue 57
THR
THR
ASP
GLU
PRO
Atom N of residue 126
Atom CG of residue 76
PHE
LEU
THR
Atom CG of residue 157
ALA
Atom CA of residue 153
Atom C of residue 115
Atom N of residue 47
GLY
Atom N of residue 130
Atom CA of residue 132
Atom C of residue 518
Atom CA of residue 107
Atom CD of residue 121
LEU
Atom CA of residue 85
Atom N of residue 146
PHE
Atom CA of residue 41
Atom CA of residue 149
Atom N of residue 91
Atom CD of residue 48
Atom CA of residue 526
Atom OD1 of residue 19
Atom O of residue 109
ASP
Atom CA of residue 23
Atom CA of residue 122
Atom CA of residue 478
PRO
Atom CA of residue 75
Atom CA of residue 64
ARG
Atom N of residue 494
Atom CA of residue 2686
Atom CD1 of residue 550
LYS
PHE
Atom CA of residue 38
Atom N of residue 61
Atom O of residue 526
Atom CA of residue 27
LEU
Atom CD2 of residue 562
Atom CA of residue 446
Atom N of residue 61
Atom CA of residue 81
Atom CA of residue 316
Atom CA of residue 21
Atom N of residue 60
ALA
Atom CA of residue 216
Atom CE3 of residue 103
Atom CA of residue 498
Atom CA of residue 4
VAL
Atom OE1 of residue 21
LYS
ILE
Atom CA of residue 146
ALA
GLU
1z5s_A_fitted.pdb
Atom CA of residue 527
Atom NZ of residue 146
Atom CA of residue 84
PRO
GLU
Atom CA of residue 56
GLU
Atom CA of residue 68
PRO
Atom CA of residue 2643
Atom CA of residue 87
Atom CA of residue 47
Atom O of residue 469
GLY
Atom CB of residue 30
Atom CA of residue 37
Atom CA of residue 24
Atom N of residue 29
Atom CA of residue 263
Atom CA of residue 85
ASP
Atom CA of residue 318
TYR
Atom CA of residue 57
Atom CA of residue 576
GLN
VAL
THR
VAL
Atom CA of residue 120
VAL
Atom CA of residue 47
Atom CD of residue 78
Atom CA of residue 117
GLY
Atom CE2 of residue 41
Atom O of residue 3
Atom CA of residue 48
Atom CA of residue 17
Atom CA of residue 456
ASP
LYS
Atom CA of residue 80
LEU
Atom CA of residue 219
Atom CA of residue 574
GLY
Atom CB of residue 526
Atom CD1 of residue 94
Atom CA of residue 156
Atom N of residue 99
ASP
Atom O of residue 502
SER
VAL
GLY
Atom CA of residue 131
GLU
ASN
Atom CE1 of residue 562
Atom CA of residue 512
GLY
LEU
Atom CA of residue 2665
LEU
Model 38
Atom O of residue 518
LEU
Atom CE of residue 121
Atom CA of residue 47
Atom CA of residue 28
Atom CA of residue 236
Atom CZ2 of residue 103
LYS
Atom CA of residue 470
PHE
LEU
Atom CB of residue 109
Atom CA of residue 43
ASP
Atom C of residue 77
ALA
Atom CA of residue 154
Atom CG of residue 30
Atom CA of residue 132
Atom CA of residue 488
VAL
Atom C of residue 85
GLU
Atom CA of residue 528
Atom CD of residue 157
Atom CA of residue 87
Atom CG of residue 137
GLY
GLY
PRO
Atom OD2 of residue 19
PRO
THR
Atom CA of residue 29
Atom CA of residue 53
Atom O of residue 115
Atom CA of residue 465
GLY
Atom C of residue 131
Atom CA of residue 126
Atom CD2 of residue 550
Atom CA of residue 116
Atom CA of residue 130
Atom CA of residue 157
Atom CA of residue 263
GLU
Atom CB of residue 502
Atom CA of residue 2675
SER
GLN
GLU
PRO
Atom CA of residue 33
ALA
LEU
Atom CA of residue 54
Atom CA of residue 2634
Atom CB of residue 469
Atom CA of residue 32
Atom CA of residue 217
Atom CA of residue 58
Atom CE3 of residue 41
Atom C of residue 148
ASN
LYS
SER
Atom N of residue 95
Atom CA of residue 537
LEU
Atom CA of residue 104
ALA
Atom CA of residue 8
GLU
GLN
Atom CA of residue 10
Atom CA of residue 220
Atom CA of residue 494
Atom O of residue 48
Atom CE of residue 78
PHE
Atom CA of residue 92
Atom CA of residue 20
Atom C of residue 91
MET
Atom C of residue 60
Atom CA of residue 135
Atom O of residue 6
LYS
HIS
VAL
Atom CA of residue 130
Atom CA of residue 25
Atom CB of residue 115
CYS
Atom CA of residue 121
ARG
Atom CA of residue 123
Atom CA of residue 85
Atom CA of residue 29
GLU
Atom CA of residue 479
Atom C of residue 132
Atom N of residue 20
MET
Atom CA of residue 2687
LYS
Atom CA of residue 529
Chain C
VAL
Atom CD1 of residue 137
ILE
Atom CE1 of residue 550
Atom O of residue 85
Atom CA of residue 447
ASP
ARG
Atom C of residue 66
Atom CB of residue 518
ARG
Atom CA of residue 122
Atom CA of residue 39
SER
Atom CZ3 of residue 103
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom C of residue 126
Atom CA of residue 37
LEU
mol0
ASP
Atom CG1 of residue 109
Atom CA of residue 528
Atom O of residue 77
ILE
Atom CA of residue 65
Atom CA of residue 2644
ARG
Atom CA of residue 48
GLU
Atom CG2 of residue 469
Atom C of residue 32
Atom CZ2 of residue 41
ASN
LYS
ASN
Atom CG of residue 526
THR
Atom CA of residue 317
Atom CA of residue 20
Atom CA of residue 99
Atom CA of residue 155
ALA
Atom CA of residue 264
ASP
Atom O of residue 148
Atom CA of residue 319
Atom C of residue 63
Atom CA of residue 105
Atom CA of residue 69
Atom CA of residue 118
Atom CA of residue 94
ILE
GLY
Atom CA of residue 66
Atom CA of residue 44
Atom CA of residue 457
Atom CA of residue 49
LEU
THR
Atom CD of residue 30
LYS
GLU
Atom CA of residue 60
Atom N of residue 570
Atom CA of residue 575
Atom CA of residue 484
Atom CA of residue 21
Atom CG of residue 115
1z5s_C.pdb
Atom CA of residue 157
Atom CA of residue 577
Atom C of residue 14
Atom NZ of residue 121
Atom CA of residue 54
Atom CB of residue 85
Atom C of residue 494
Atom CB of residue 6
Atom CA of residue 79
SER
Atom CD2 of residue 137
Atom CA of residue 513
Writer to temp_000.pdb
Atom CA of residue 86
Atom CA of residue 218
PHE
Atom CG2 of residue 518
Atom O of residue 60
VAL
Atom CA of residue 61
Atom CA of residue 59
VAL
Atom CA of residue 47
Atom CA of residue 471
LYS
LYS
Atom C of residue 47
Atom C of residue 24
Atom CA of residue 2666
PRO
Atom CA of residue 457
Atom CG of residue 502
Atom CA of residue 237
LEU
ASN
Atom CA of residue 50
Atom O of residue 132
Atom C of residue 20
ASP
python stream rigid body
Atom CA of residue 489
Atom O of residue 131
Atom O of residue 32
Atom CH2 of residue 41
Atom C of residue 130
Atom CA of residue 150
Atom CE2 of residue 562
HIS
Atom CH2 of residue 103
Atom CA of residue 88
Atom C of residue 99
Atom CA of residue 122
GLN
Atom CA of residue 15
MET
Atom CA of residue 76
Atom CA of residue 42
LYS
GLU
Atom O of residue 126
Atom CA of residue 2635
LYS
VAL
Atom O of residue 63
Atom NZ of residue 78
GLN
Atom CA of residue 117
Atom CA of residue 34
PRO
ALA
ILE
Atom CA of residue 48
LEU
Atom CA of residue 2676
HIS
Atom CA of residue 106
Atom C of residue 568
ILE
Atom CA of residue 147
Atom CG1 of residue 469
Atom CA of residue 485
Atom O of residue 91
Atom CA of residue 69
Atom CG2 of residue 109
PRO
ARG
GLU
PHE
ILE
ILE
GLY
Atom O of residue 66
Atom CA of residue 264
GLU
PHE
GLY
GLU
Atom CA of residue 55
ARG
Atom C of residue 61
Atom CA of residue 136
Atom CE of residue 30
Atom CA of residue 130
SER
Atom CB of residue 131
Atom CA of residue 156
Atom CA of residue 87
Atom CA of residue 538
Atom CA of residue 25
Atom O of residue 14
LEU
Atom CD of residue 526
GLU
ALA
Atom O of residue 20
ALA
Atom CE1 of residue 137
Atom O of residue 24
GLN
TYR
Atom C of residue 42
ALA
Atom CZ of residue 562
Atom CB of residue 60
Atom CE2 of residue 550
Atom CA of residue 530
Atom N of residue 4
ILE
Atom CG1 of residue 518
Atom N of residue 122
Atom CA of residue 38
Atom CA of residue 81
ARG
Atom C of residue 29
Atom CA of residue 124
LYS
VAL
Atom CA of residue 40
ALA
Atom N of residue 42
Atom CG of residue 46
Atom CA of residue 480
Atom CB of residue 132
Atom O of residue 116
Atom CA of residue 2688
Atom O of residue 130
ALA
TYR
Atom CA of residue 222
Atom O of residue 494
ALA
Atom CA of residue 50
TYR
Atom CA of residue 448
Atom CA of residue 95
VAL
ARG
Atom CA of residue 60
Atom CA of residue 531
Atom O of residue 99
Atom CA of residue 458
Atom CA of residue 95
Atom CG of residue 85
LEU
Atom CA of residue 107
Atom CD of residue 115
Atom CA of residue 318
Atom CA of residue 70
THR
Atom CB of residue 66
GLN
Atom CB of residue 32
Atom CA of residue 50
Atom CD1 of residue 502
Atom CA of residue 2645
GLN
Atom CA of residue 467
Atom CA of residue 49
Atom CA of residue 21
Atom CA of residue 265
SER
Atom CA of residue 137
ALA
ASP
Atom CA of residue 320
Atom CA of residue 51
TYR
Atom CG of residue 131
Atom CA of residue 123
Atom N of residue 92
Atom CB of residue 63
PRO
Atom CD1 of residue 109
Atom CA of residue 20
Atom CA of residue 578
Atom CB of residue 24
Atom N of residue 79
Atom O of residue 15
Atom CA of residue 342
Atom CA of residue 88
Atom C of residue 95
Atom CA of residue 119
Atom CA of residue 458
Atom O of residue 42
Atom N of residue 563
Atom CZ of residue 550
ALA
Atom CA of residue 60
Atom O of residue 61
TRP
Atom NZ of residue 30
Atom CA of residue 527
LYS
Atom CA of residue 472
ILE
LYS
Atom CA of residue 576
ASP
Atom CA of residue 432
Atom CA of residue 98
SER
Atom CA of residue 131
PHE
Atom CA of residue 337
Atom CA of residue 45
Atom CA of residue 490
ASN
Atom CB of residue 126
Atom N of residue 470
Atom CA of residue 82
Atom CA of residue 2667
GLU
Atom CB of residue 494
PRO
Atom CA of residue 514
Atom CA of residue 49
Atom OE1 of residue 526
Atom CA of residue 238
GLY
Atom CA of residue 157
Atom CA of residue 151
Atom CA of residue 89
VAL
PRO
ARG
Atom CA of residue 2636
MET
GLU
Atom CG of residue 132
LEU
Atom CG of residue 66
Atom CB of residue 130
Model 51
LYS
Atom CG1 of residue 4
Atom O of residue 95
Atom CG of residue 63
Atom CA of residue 108
LYS
ARG
ARG
Atom O of residue 29
Atom CA of residue 148
Atom CA of residue 118
Atom N of residue 104
Atom CA of residue 58
Chain B
ARG
Atom CB of residue 99
PRO
SER
MET
THR
GLU
Atom CA of residue 2677
THR
HIS
Atom CB of residue 42
THR
Atom CA of residue 459
ASN
Atom NE of residue 115
LEU
PRO
Atom N of residue 519
Atom CG of residue 32
Atom CD of residue 46
Atom CA of residue 35
Atom CA of residue 140
HIS
ALA
Atom CA of residue 56
THR
Atom CA of residue 89
Atom CB of residue 15
ALA
Atom CA of residue 54
Atom CA of residue 132
P0
ALA
Atom CA of residue 539
Atom N of residue 110
Atom CG of residue 46
Atom CA of residue 99
SER
Atom CA of residue 138
THR
VAL
Atom CD1 of residue 85
Atom CA of residue 470
Atom CA of residue 513
Atom CA of residue 22
THR
Atom CA of residue 39
HIS
Atom CE2 of residue 137
Atom CA of residue 124
ALA
VAL
Atom OH of residue 550
Atom CB of residue 61
LEU
Atom CG of residue 60
Atom CA of residue 51
MET
Atom CA of residue 451
Atom CB of residue 95
Atom CD of residue 131
Atom CA of residue 125
Atom CA of residue 481
VAL
ILE
Atom CB of residue 29
VAL
SER
Atom CG of residue 24
Atom C of residue 432
VAL
Atom CA of residue 508
GLU
Atom CA of residue 221
Atom CG1 of residue 494
GLU
Atom CA of residue 41
Atom CA of residue 23
Atom CA of residue 2691
Atom CA of residue 98
Atom CB of residue 122
VAL
TYR
ARG
Atom O of residue 4
Atom CA of residue 100
Atom CD of residue 132
Atom CA of residue 109
Atom CA of residue 51
python stream rigid body rigid body positions
Atom CG of residue 42
Atom CA of residue 460
Atom CA of residue 61
Atom CD2 of residue 502
Atom CA of residue 83
ALA
ASN
Atom CG of residue 126
Atom CA of residue 33
LeavesRefiner2
SER
Atom CA of residue 42
VAL
Atom CA of residue 319
Atom N of residue 15
GLY
Atom CA of residue 2662
LYS
Atom CA of residue 266
Atom CA of residue 90
Atom CA of residue 321
CYS
LEU
Atom CA of residue 23
GLY
Atom CA of residue 71
Atom CA of residue 120
HIS
LEU
Atom CA of residue 459
GLY
Atom CZ of residue 137
Atom CD of residue 66
Atom CA of residue 343
Atom CA of residue 563
Atom N of residue 551
CYS
Atom CA of residue 486
Atom CD1 of residue 63
Atom CA of residue 22
Atom CG of residue 29
Atom CD1 of residue 60
Atom CA of residue 577
Atom CA of residue 86
Atom CE1 of residue 502
PHE
Atom C of residue 79
Atom CA of residue 579
Atom CA of residue 79
Atom OE2 of residue 526
GLU
GLU
Atom CA of residue 433
Atom CA of residue 491
Atom CA of residue 154
Atom CB of residue 4
ILE
Atom CA of residue 515
Atom CA of residue 22
Atom O of residue 432
Atom CA of residue 338
Atom CA of residue 46
GLU
ARG
Atom CG of residue 122
Atom CA of residue 572
Atom OG of residue 61
GLU
Atom CD of residue 32
GLY
LYS
Atom CA of residue 104
Atom CA of residue 2668
ILE
Atom CA of residue 50
Atom CA of residue 239
PHE
LEU
ALA
Atom OE1 of residue 42
Atom N of residue 132
Atom CA of residue 92
Atom CG of residue 130
Atom CD of residue 126
LYS
Atom CZ of residue 115
Atom CA of residue 514
Atom CA of residue 125
VAL
ASP
ILE
Atom CA of residue 461
Atom CA of residue 149
Atom CA of residue 62
Atom CZ3 of residue 41
Atom OE1 of residue 132
Atom CA of residue 90
Atom CD of residue 46
PRO
Atom CA of residue 270
Atom CG of residue 99
Atom CA of residue 2637
Atom CA of residue 27
Atom CA of residue 110
ILE
Atom CA of residue 36
ASP
LYS
TYR
mol_0 rigid body
Atom CA of residue 91
Atom CA of residue 69
Atom C of residue 3
LYS
Atom OH of residue 137
VAL
LYS
VAL
Atom CA of residue 59
ASP
Atom CA of residue 530
Atom CD2 of residue 60
ASP
PRO
ASP
Atom CA of residue 101
Atom CG of residue 95
Atom CG of residue 117
SER
LEU
Atom CA of residue 470
Atom CD2 of residue 85
Atom CA of residue 84
Atom CA of residue 571
Atom CA of residue 43
HIS
GLN
GLN
ILE
Model 0
Atom CA of residue 110
ARG
THR
ALA
PRO
Atom N of residue 67
Atom C of residue 563
Atom CA of residue 119
Atom C of residue 104
Atom CD2 of residue 63
ASP
PHE
Atom CA of residue 2678
SER
Atom CA of residue 540
Atom CA of residue 37
Atom OE2 of residue 42
Atom CA of residue 132
ARG
SER
Atom O of residue 92
THR
Atom CD1 of residue 24
PRO
ALA
Atom OD1 of residue 130
Atom N of residue 62
ALA
GLU
Atom CA of residue 93
Atom CA of residue 433
Atom N of residue 6
Atom CA of residue 471
Atom CA of residue 99
Atom OD1 of residue 122
ARG
LYS
Atom N of residue 86
ALA
Atom CA of residue 452
VAL
PHE
Atom N of residue 527
Atom CG1 of residue 148
VAL
Atom CA of residue 2692
Atom CD of residue 99
Atom CA of residue 519
Atom CA of residue 126
GLU
Atom CA of residue 482
ASP
ASP
Atom OE1 of residue 126
SER
Atom CA of residue 271
Atom CA of residue 475
Atom CG2 of residue 494
Atom CA of residue 462
Atom CA of residue 25
GLN
Atom N of residue 61
Atom CA of residue 40
Atom CA of residue 92
Atom CA of residue 70
Atom OE2 of residue 132
Atom N of residue 47
Atom CA of residue 320
Atom CD of residue 29
LEU
Atom ND2 of residue 567
Atom NH1 of residue 115
Atom O of residue 79
GLN
Atom CA of residue 72
Atom CA of residue 126
Atom CA of residue 42
Atom CA of residue 8
GLU
Atom CA of residue 322
VAL
Atom N of residue 138
Atom CA of residue 67
Atom CA of residue 344
Atom CA of residue 155
Atom C of residue 470
Atom CA of residue 487
SER
Atom CA of residue 64
ALA
Model 3
Atom CA of residue 23
LEU
Atom CA of residue 87
ASP
MET
Atom C of residue 110
Atom CA of residue 47
Atom CA of residue 580
Atom CD2 of residue 24
LEU
VAL
Atom CA of residue 492
Atom CA of residue 434
Atom CA of residue 121
MET
Atom CA of residue 13
VAL
ASP
SER
ILE
Atom CA of residue 460
Atom CA of residue 100
Atom O of residue 104
LEU
Atom CA of residue 111
Atom O of residue 563
Atom CA of residue 578
GLU
Atom CA of residue 2647
Atom CA of residue 85
Atom CA of residue 102
Atom CA of residue 339
CYS
Atom CA of residue 2689
Atom OE1 of residue 99
Atom CB of residue 76
GLN
SER
ALA
Atom CE2 of residue 502
Atom CB of residue 92
ASP
Atom OD1 of residue 95
Atom ND2 of residue 130
Atom CA of residue 51
LEU
Atom CA of residue 15
Atom CA of residue 240
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.em
SER
Atom CA of residue 516
Atom N of residue 495
Atom CA of residue 529
Atom CG2 of residue 14
Atom C of residue 519
Atom OD2 of residue 122
Atom CA of residue 150
Atom CA of residue 566
Atom CA of residue 86
Atom CA of residue 40
ARG
ILE
Atom CD of residue 117
Atom CB of residue 79
Atom CA of residue 91
Atom CA of residue 77
LYS
THR
Atom NE of residue 29
Atom CA of residue 2646
Atom CA of residue 93
Atom NH2 of residue 115
Atom CA of residue 71
Atom CA of residue 101
Atom CA of residue 112
Atom CA of residue 39
ILE
Atom NE2 of residue 126
Atom CA of residue 551
THR
LEU
ALA
Atom CA of residue 120
ASP
Atom CE1 of residue 24
Atom CA of residue 2669
Atom N of residue 64
Atom CA of residue 11
GLU
THR
Atom CA of residue 2679
ASP
ALA
Atom N of residue 43
GLU
Atom CA of residue 525
python stream rigid body rigid body positions
Atom CA of residue 493
ASP
Atom CA of residue 54
Atom O of residue 470
Atom CD of residue 17
Atom CD1 of residue 92
LEU
ASN
Atom OD1 of residue 40
Atom CA of residue 527
ALA
Atom O of residue 110
LEU
THR
CYS
ARG
HIS
LEU
CYS
SER
Atom CA of residue 541
GLY
LYS
Atom OE2 of residue 99
Atom C of residue 551
LEU
GLU
Atom CA of residue 469
ASP
Atom CA of residue 127
MET
ILE
Atom CZ of residue 502
Atom C of residue 15
THR
THR
LEU
Atom CA of residue 41
Atom CA of residue 442
ILE
Atom CA of residue 455
Atom CA of residue 15
Atom CA of residue 151
Atom CA of residue 62
ILE
Atom CB of residue 104
Atom CG of residue 79
VAL
Atom CB of residue 563
VAL
Atom CA of residue 2638
python stream rigid body
Atom CA of residue 127
Atom N of residue 116
Atom CA of residue 483
GLN
GLU
ALA
Atom CA of residue 114
Atom N of residue 131
Atom O of residue 519
TYR
Atom CA of residue 43
PRO
Atom CB of residue 40
Atom CA of residue 44
TYR
ASP
Atom C of residue 67
Atom CA of residue 94
GLY
Atom O of residue 40
Atom CA of residue 72
PHE
Atom CA of residue 93
Atom CA of residue 86
Atom OE1 of residue 117
LYS
Atom C of residue 132
ASP
Atom CD of residue 146
LYS
GLN
Atom CA of residue 149
VAL
PRO
Atom CA of residue 127
Atom CA of residue 463
Atom C of residue 527
Atom CB of residue 432
Atom CA of residue 138
Atom CA of residue 55
Atom CA of residue 490
LEU
Atom CA of residue 495
Atom CA of residue 46
LYS
Atom CA of residue 14
THR
Atom CA of residue 323
Atom CA of residue 462
Atom O of residue 551
ALA
Atom CA of residue 63
Atom CA of residue 4
Atom CB of residue 470
Atom NE of residue 17
LEU
Atom O of residue 15
PRO
Atom CA of residue 321
Atom CA of residue 48
Atom CA of residue 73
TYR
Atom CA of residue 122
THR
PRO
Atom CE2 of residue 24
ALA
Atom CA of residue 29
Atom CB of residue 110
ILE
Atom CA of residue 345
Atom CD of residue 21
Atom CA of residue 579
Atom C of residue 122
Atom CA of residue 2648
Atom CA of residue 53
Atom ND2 of residue 95
Atom N of residue 133
Model 14
Atom CA of residue 581
Atom CZ of residue 29
Atom CD2 of residue 92
LEU
Atom N of residue 503
Atom CA of residue 340
PRO
Atom CA of residue 129
Atom CA of residue 88
LEU
ASP
Atom CA of residue 47
Atom CA of residue 2670
Atom C of residue 64
PRO
Atom CA of residue 52
Atom CA of residue 241
GLU
Atom C of residue 433
Atom C of residue 4
Atom CA of residue 466
Atom CA of residue 2690
Atom CA of residue 95
Atom CA of residue 43
Atom CB of residue 14
Atom O of residue 132
Atom CA of residue 128
Atom CA of residue 4
Atom CA of residue 473
Atom CA of residue 40
Atom CB of residue 519
HIS
Atom C of residue 62
Atom O of residue 527
Atom CA of residue 47
PRO
Atom CG of residue 146
Atom CB of residue 551
Atom CA of residue 491
Atom C of residue 495
PRO
Atom CA of residue 567
ARG
Atom CG of residue 104
PRO
Atom CA of residue 92
Atom CG1 of residue 563
LEU
ARG
Atom CA of residue 121
Atom CA of residue 468
Atom ND1 of residue 79
ALA
Atom CA of residue 78
Atom CA of residue 152
Atom C of residue 149
Atom CA of residue 2680
GLN
Atom CA of residue 102
ASP
Atom CA of residue 52
VAL
Atom CZ of residue 24
Atom CA of residue 435
Atom CA of residue 463
ALA
SER
Atom CA of residue 87
TRP
Atom C of residue 138
PRO
Atom CA of residue 476
Atom CA of residue 5
ALA
LEU
GLU
ILE
GLY
Atom N of residue 508
TYR
Atom CA of residue 100
Atom CG1 of residue 470
Atom CZ of residue 17
ASN
Atom CA of residue 453
Atom N of residue 127
SER
Atom CA of residue 42
Atom CA of residue 17
Atom C of residue 86
ALA
Atom C of residue 47
Atom CA of residue 113
GLN
Atom N of residue 22
Atom CA of residue 450
Atom CG of residue 96
GLN
LYS
LYS
Atom O of residue 67
Atom O of residue 122
Atom CA of residue 443
VAL
Atom N of residue 2
Atom CA of residue 542
Atom C of residue 43
Atom OG1 of residue 14
GLY
ARG
GLU
LYS
Atom N of residue 100
Atom CA of residue 96
MET
Atom CA of residue 54
GLU
Atom CA of residue 131
Atom CA of residue 116
SER
GLU
Atom CG of residue 110
Atom CA of residue 44
ASN
Atom CA of residue 48
Atom CD of residue 104
GLN
ASP
Atom NH1 of residue 29
Atom CA of residue 2639
Atom O of residue 62
Atom CA of residue 153
Atom CA of residue 128
Atom CA of residue 47
Atom CB of residue 15
Atom CA of residue 484
ASP
THR
CYS
Atom C of residue 531
THR
Atom CG of residue 519
Atom CG of residue 92
Atom N of residue 25
Atom CB of residue 577
SER
LEU
THR
Atom CA of residue 494
Atom O of residue 495
VAL
Atom CA of residue 133
Atom CA of residue 130
Atom CA of residue 64
ILE
ASN
GLU
Atom CA of residue 23
Atom CA of residue 324
LEU
Atom CA of residue 74
ASP
Atom CA of residue 305
Atom CA of residue 89
Atom CA of residue 115
ASN
Atom O of residue 47
LYS
LYS
Atom CA of residue 346
CYS
Atom O of residue 433
ALA
rigid bodies list
Atom CA of residue 322
Atom CA of residue 49
Atom O of residue 138
Atom CA of residue 464
Atom CB of residue 85
Atom O of residue 64
LEU
Atom CA of residue 582
THR
Atom O of residue 86
GLU
Atom CA of residue 6
ASN
ASP
Atom CB of residue 527
Atom CD2 of residue 79
Atom CA of residue 123
HIS
Atom CA of residue 492
Atom CA of residue 88
Atom C of residue 116
Atom CA of residue 133
Atom CA of residue 152
Atom CA of residue 503
Atom CA of residue 97
PHE
Atom CA of residue 341
Atom CB of residue 67
Atom NH2 of residue 29
THR
Atom CA of residue 2649
Atom CA of residue 2671
Atom O of residue 43
Atom CB of residue 132
Atom CG2 of residue 563
PHE
Atom CG2 of residue 470
Atom CA of residue 80
Atom CA of residue 49
Atom CA of residue 242
ALA
Atom CA of residue 31
Atom O of residue 569
ALA
ALA
Atom C of residue 131
Atom C of residue 145
Atom CD of residue 110
Atom CA of residue 24
Atom CA of residue 568
Atom CB of residue 86
Atom NE of residue 104
Atom CA of residue 55
Atom C of residue 133
Atom CA of residue 119
Atom CA of residue 93
Atom CD of residue 20
Atom CG of residue 551
PHE
Atom CB of residue 62
Atom CG of residue 85
Atom NE2 of residue 117
Atom CA of residue 436
Atom ND1 of residue 519
Atom OE1 of residue 63
LEU
GLY
Atom NH1 of residue 17
VAL
Atom N of residue 16
Atom CA of residue 11
Atom CA of residue 103
ALA
THR
Atom O of residue 531
Atom CA of residue 52
Atom C of residue 127
Atom CA of residue 122
Atom N of residue 48
Atom CA of residue 25
Atom CG of residue 577
Atom CA of residue 111
Atom CA of residue 85
GLU
Atom CA of residue 2681
GLU
Atom CA of residue 30
Atom CA of residue 142
Atom CB of residue 495
ILE
Atom CA of residue 477
LYS
Atom CA of residue 85
PRO
Atom CD of residue 149
Atom CB of residue 42
Atom CA of residue 15
Atom CA of residue 100
ARG
Atom CA of residue 101
Atom CB of residue 433
Atom CA of residue 461
PRO
GLU
Atom CA of residue 2640
Atom O of residue 116
Atom CB of residue 64
Atom CA of residue 437
ASN
GLN
Atom CA of residue 432
LYS
Atom CB of residue 138
CYS
Atom N of residue 30
VAL
THR
LEU
Atom CA of residue 543
Atom N of residue 564
ARG
ARG
Atom CA of residue 495
ALA
Atom CA of residue 444
Atom C of residue 503
Atom CG of residue 86
Atom CA of residue 43
Atom CG of residue 527
Atom O of residue 133
Atom CA of residue 43
GLY
LEU
Atom CA of residue 98
TYR
GLY
ASP
Atom CG1 of residue 132
GLU
Atom NE2 of residue 63
VAL
Atom O of residue 96
Atom CA of residue 78
Atom C of residue 92
LYS
Atom CB of residue 147
ARG
THR
Atom CA of residue 129
Atom CA of residue 45
Atom N of residue 471
Atom NH2 of residue 17
Atom CA of residue 485
ASN
Atom CA of residue 121
Atom CA of residue 77
SER
Atom CA of residue 89
GLU
Atom CA of residue 134
GLU
THR
Atom O of residue 131
Atom CA of residue 48
GLN
Atom OG1 of residue 67
SER
Atom CZ of residue 104
TRP
Chain D
GLU
Atom CB of residue 531
Atom OE1 of residue 20
PRO
CYS
Atom NE of residue 149
Atom CA of residue 157
Atom C of residue 100
Atom CA of residue 102
Atom CD2 of residue 519
GLU
Atom CD of residue 577
Atom CA of residue 56
LYS
Atom O of residue 127
PRO
GLU
Atom C of residue 437
Atom CA of residue 85
VAL
Atom CA of residue 325
Atom C of residue 432
Atom CA of residue 22
Atom CA of residue 306
Atom CA of residue 465
Atom CD1 of residue 551
Atom CA of residue 90
Atom N of residue 118
Atom CG of residue 62
ASP
Atom CA of residue 2
TYR
Atom CA of residue 323
Atom O of residue 145
Atom OD2 of residue 136
GLU
Atom CE1 of residue 79
Atom CA of residue 50
Atom CA of residue 124
HIS
TRP
ASN
CYS
Atom CA of residue 347
Atom CA of residue 44
Atom CA of residue 32
P0
Atom CE of residue 110
Atom CA of residue 496
Atom CA of residue 30
Atom CD1 of residue 85
Atom O of residue 503
Atom CA of residue 2650
Atom CA of residue 99
ASN
Atom CA of residue 583
THR
Atom CA of residue 116
SER
Atom CA of residue 488
Atom CA of residue 342
LEU
Atom CB of residue 96
Atom CA of residue 2672
Atom CB of residue 133
Atom OG of residue 42
Atom CA of residue 2630
ALA
Atom CA of residue 243
Atom CZ of residue 149
Atom CG2 of residue 132
Atom CA of residue 5
GLY
Atom CA of residue 153
Atom CA of residue 42
THR
Atom CA of residue 135
Atom CA of residue 67
Model 48
PRO
Atom CA of residue 143
GLU
Atom NH1 of residue 77
LYS
Atom N of residue 18
Atom CD1 of residue 86
Atom CG of residue 64
PRO
Atom CA of residue 53
ALA
Atom CA of residue 48
Atom CB of residue 116
Atom O of residue 437
GLN
Atom OD1 of residue 527
GLU
Atom CA of residue 32
Atom O of residue 432
Atom CG2 of residue 67
Atom CB of residue 145
Atom CA of residue 466
Atom CA of residue 569
Atom CA of residue 123
Atom CA of residue 478
GLU
Atom CA of residue 94
Atom CG of residue 495
LEU
Atom CA of residue 115
LYS
Atom O of residue 47
Atom CA of residue 23
Atom CA of residue 2682
ALA
ASP
Atom O of residue 100
Atom CD of residue 42
Atom OE2 of residue 20
Atom CE1 of residue 519
Atom CA of residue 86
ILE
GLU
Atom N of residue 433
Atom NE of residue 577
Atom CA of residue 104
Atom CA of residue 53
ALA
Atom CB of residue 127
LYS
LEU
ILE
Atom CA of residue 31
Atom NZ of residue 110
Atom CB of residue 131
Atom CA of residue 2641
Atom CB of residue 503
LEU
Atom CA of residue 437
THR
Atom SG of residue 138
ASN
Atom CA of residue 564
Atom CG of residue 117
SER
MET
Atom CA of residue 45
Atom N of residue 96
DensityMap15
VAL
PHE
Atom CA of residue 100
PRO
Atom N of residue 43
VAL
Atom CA of residue 80
Atom CA of residue 44
Atom CA of residue 471
LYS
Atom CA of residue 12
LEU
Atom CA of residue 24
GLN
LYS
Atom CA of residue 445
Atom N of residue 64
Atom CA of residue 16
PHE
Atom CB of residue 437
Atom CA of residue 544
GLU
LEU
LYS
Atom CA of residue 78
Atom CA of residue 146
GLU
GLN
ASN
VAL
Atom CD2 of residue 551
Atom CA of residue 54
Atom CA of residue 46
Atom OD2 of residue 527
PRO
TYR
PHE
Atom CB of residue 432
Atom CG of residue 145
ALA
SER
ILE
GLN
Atom OD1 of residue 495
Atom CG of residue 131
Atom CA of residue 49
Atom C of residue 23
ASP
Atom CB of residue 146
Atom CA of residue 33
Atom CA of residue 130
Atom CD1 of residue 62
Atom CD2 of residue 85
LYS
Atom CA of residue 486
ARG
TRP
Atom CA of residue 7
THR
Atom CG of residue 116
Atom N of residue 134
ALA
Atom N of residue 532
Atom CA of residue 43
Atom C of residue 25
ASN
Atom CG of residue 147
Atom N of residue 68
THR
Atom N of residue 139
Atom CD1 of residue 132
Atom CA of residue 117
Atom CB of residue 47
LYS
Atom CA of residue 326
Atom CD1 of residue 64
Atom NH2 of residue 149
Atom CB of residue 100
Atom CA of residue 91
Atom CA of residue 118
GLN
Atom CA of residue 122
Atom C of residue 80
Atom CD2 of residue 86
Atom CA of residue 46
LEU
Atom CA of residue 324
Atom CA of residue 348
Atom CE1 of residue 551
Atom CA of residue 101
ASP
MET
Atom C of residue 16
Atom NH1 of residue 104
Atom CG of residue 437
HIS
Atom CA of residue 2631
Atom C of residue 564
LEU
Atom CA of residue 489
Atom CB of residue 149
Atom CZ of residue 577
Atom CA of residue 27
ASN
Atom C of residue 48
Atom CA of residue 19
Atom CA of residue 125
GLN
Atom CA of residue 343
GLN
Atom N of residue 433
Atom N of residue 111
Atom N of residue 21
Atom CA of residue 5
Atom CA of residue 154
PRO
Atom CA of residue 2673
Atom OD2 of residue 495
Atom CD of residue 131
Atom CA of residue 130
Atom CA of residue 2651
Atom CA of residue 244
LYS
LEU
Atom CA of residue 440
Atom CA of residue 497
VAL
Atom CA of residue 519
ASN
Atom C of residue 471
Atom CD2 of residue 62
Atom CA of residue 18
PRO
Atom O of residue 25
VAL
Atom CA of residue 7
MET
Atom CG of residue 503
LYS
GLY
ILE
ARG
Atom CG of residue 47
Atom CA of residue 68
Atom CA of residue 570
Atom CA of residue 479
PRO
Atom CA of residue 95
ARG
GLN
Atom CD of residue 117
LYS
Atom O of residue 23
Atom CA of residue 96
Atom CA of residue 33
Atom CA of residue 130
GLY
Atom CA of residue 105
Atom CA of residue 54
LEU
Atom O of residue 569
Atom CA of residue 92
LEU
LYS
GLU
Atom CG of residue 127
Atom CA of residue 70
LYS
Atom CA of residue 32
GLY
Atom CA of residue 64
Atom CA of residue 2642
LYS
Atom O of residue 16
Atom NH2 of residue 104
LYS
Atom NH1 of residue 149
ASP
Atom CA of residue 13
LEU
Atom CD of residue 145
GLN
Atom CA of residue 102
ASP
Atom C of residue 27
LYS
TYR
PRO
Atom C of residue 118
Atom CA of residue 130
Atom O of residue 80
VAL
ILE
PRO
LYS
Atom N of residue 86
Atom CA of residue 44
Atom N of residue 528
GLN
Atom CA of residue 124
Atom CD1 of residue 116
Atom CB of residue 25
Atom CG of residue 149
Atom CA of residue 43
Atom N of residue 496
Atom CA of residue 2652
Atom CA of residue 132
Atom CA of residue 2683
ALA
Atom CA of residue 545
python stream
Atom CA of residue 532
Atom C of residue 30
Atom N of residue 63
VAL
SampledDensityMap18
Atom N of residue 133
Atom NE2 of residue 519
LYS
Atom C of residue 18
VAL
Atom CD2 of residue 64
ASP
ASN
LEU
VAL
Atom CA of residue 55
Atom CA of residue 45
python stream rigid body rigid body positions
Atom CA of residue 66
TYR
ALA
Atom CA of residue 520
Atom O of residue 471
VAL
ASP
GLU
Atom CA of residue 139
Atom N of residue 132
Atom CA of residue 129
Atom NH1 of residue 577
Atom CA of residue 134
PHE
Atom CA of residue 54
Atom CA of residue 71
ASN
Atom O of residue 48
Atom CA of residue 487
Atom CA of residue 76
VAL
Atom O of residue 564
LEU
Atom CB of residue 16
Atom CA of residue 25
THR
Atom OD1 of residue 127
Atom CA of residue 446
Atom CA of residue 50
Atom C of residue 96
Atom CA of residue 133
Atom C of residue 64
Atom N of residue 105
Atom CA of residue 150
PRO
Atom C of residue 13
GLU
Atom OE1 of residue 117
Atom CD2 of residue 570
VAL
Atom CD of residue 47
Atom N of residue 24
Atom O of residue 30
Atom CA of residue 66
ASN
Atom CA of residue 462
LEU
PRO
Atom CD1 of residue 437
Atom CA of residue 70
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CG of residue 100
Atom CA of residue 118
Atom CA of residue 47
LEU
Atom CA of residue 103
LYS
Atom CA of residue 327
Atom CA of residue 111
Atom CA of residue 92
SER
ALA
Atom CD2 of residue 116
Atom CG1 of residue 25
Atom C of residue 149
ASP
Atom CB of residue 80
Atom CA of residue 2632
Atom C of residue 532
Atom OE1 of residue 145
HIS
Atom OD1 of residue 503
Atom CA of residue 133
Atom O of residue 27
Atom N of residue 520
Atom CA of residue 63
Atom O of residue 118
Atom CA of residue 68
ALA
Atom CA of residue 126
Atom CA of residue 19
LYS
SER
LYS
LYS
Atom CA of residue 134
MET
Atom CA of residue 433
CYS
Atom CA of residue 349
Atom CA of residue 2643
Atom CB of residue 48
Atom CA of residue 68
Atom C of residue 43
Atom CA of residue 325
Atom CE2 of residue 551
Atom O of residue 18
Atom N of residue 87
Atom NH2 of residue 577
Atom CA of residue 344
LYS
ASP
ILE
GLN
TRP
Atom CA of residue 100
Atom CA of residue 245
Atom CA of residue 87
Atom OD2 of residue 127
Atom CA of residue 56
Atom CB of residue 30
Atom CA of residue 21
Atom CA of residue 155
Atom CB of residue 471
Atom CA of residue 480
ALA
ARG
PRO
Atom CA of residue 232
Atom CA of residue 75
Atom CA of residue 581
PRO
ILE
Atom O of residue 64
LEU
TYR
Atom CA of residue 134
Atom CA of residue 464
Atom CA of residue 30
PHE
SER
Atom OD1 of residue 100
Atom CB of residue 564
Atom CA of residue 436
TYR
Atom CE1 of residue 64
Atom CA of residue 71
Atom N of residue 117
Atom O of residue 149
Atom CA of residue 2674
Atom CA of residue 11
Atom CA of residue 571
Atom CA of residue 130
Atom CA of residue 2684
GLY
Atom CB of residue 118
Atom CA of residue 96
VAL
Atom CA of residue 65
Atom ND2 of residue 503
Atom NE of residue 47
PHE
Atom CA of residue 53
Atom OE1 of residue 49
LEU
ALA
MET
Atom N of residue 78
GLU
Atom CA of residue 125
Atom CA of residue 64
Atom CD2 of residue 437
Atom CA of residue 106
Atom CA of residue 77
Atom CA of residue 55
Atom CA of residue 580
Atom CA of residue 93
THR
Atom CA of residue 134
Atom C of residue 134
Atom C of residue 433
LEU
HIS
GLU
Atom NZ of residue 48
Atom CA of residue 33
Atom CA of residue 441
LEU
GLU
Atom CA of residue 86
GLY
Atom O of residue 532
Atom C of residue 68
GLN
Atom O of residue 568
Atom CZ of residue 551
Atom CA of residue 63
Atom CA of residue 2653
Atom N of residue 150
Atom C of residue 139
Atom CB of residue 27
TYR
Atom N of residue 128
GLY
Atom CB of residue 64
Atom CA of residue 46
Atom CA of residue 447
GLN
Atom CA of residue 39
Atom CG1 of residue 30
ASP
Atom CG of residue 16
TRP
ARG
Atom CA of residue 105
Atom O of residue 43
THR
LEU
Atom CB of residue 18
Atom CG of residue 118
Atom O of residue 76
Atom CA of residue 26
Atom CA of residue 546
Atom CA of residue 135
Atom NE2 of residue 79
Atom CA of residue 135
TYR
Atom CA of residue 59
ASP
Atom CA of residue 99
Atom OD2 of residue 100
Atom CB of residue 13
Atom CA of residue 48
GLN
GLN
Atom N of residue 504
Atom CA of residue 31
PHE
VAL
LYS
VAL
Atom CA of residue 12
GLU
Atom CA of residue 131
GLY
HIS
Atom OE2 of residue 145
LEU
Atom CG2 of residue 25
Atom CA of residue 560
Atom CA of residue 520
LYS
Atom CA of residue 157
Atom CA of residue 99
SER
Atom CA of residue 488
Atom N of residue 578
ALA
Atom CA of residue 133
GLY
CYS
Atom CA of residue 54
TYR
Atom OD1 of residue 433
SER
LEU
ILE
Atom CA of residue 117
PHE
Atom CA of residue 72
Atom CA of residue 119
Atom OG of residue 471
Atom C of residue 86
LEU
Atom CA of residue 328
Atom CE2 of residue 64
Atom C of residue 111
MET
Atom SD of residue 64
Atom CZ of residue 47
ALA
Atom O of residue 139
Atom CA of residue 12
Atom CE of residue 76
Atom CA of residue 528
Atom CG2 of residue 148
Atom CB of residue 43
Atom OG1 of residue 564
Atom O of residue 134
GLU
Atom CA of residue 350
Atom CA of residue 2644
Atom CA of residue 434
Atom CA of residue 131
Atom CA of residue 87
VAL
VAL
Atom CA of residue 136
Atom N of residue 80
Atom CB of residue 532
Atom C of residue 133
Atom N of residue 552
LYS
Atom C of residue 63
GLU
LYS
ILE
Atom N of residue 101
Atom CA of residue 3
VAL
Atom CA of residue 345
Atom CA of residue 132
Atom CA of residue 127
Atom CA of residue 93
ILE
SER
Atom CA of residue 2675
Atom CA of residue 76
TYR
Atom CA of residue 13
ILE
Atom CA of residue 483
Atom CA of residue 246
Atom C of residue 105
MET
Atom CA of residue 234
Atom CA of residue 314
VAL
Atom CA of residue 20
Atom OE2 of residue 118
Atom CA of residue 57
Atom CA of residue 20
Atom CA of residue 100
ILE
Atom CA of residue 465
Atom N of residue 49
MET
HIS
P0
Atom CA of residue 438
Atom CA of residue 582
Atom C of residue 520
THR
LYS
ALA
Atom CE1 of residue 437
Atom CG of residue 43
Atom CA of residue 88
Atom CA of residue 2654
Atom N of residue 26
PRO
Model 9
Atom OE2 of residue 49
ALA
Atom CA of residue 572
Atom O of residue 86
Atom CA of residue 55
Atom CZ of residue 64
Atom O of residue 111
Atom CA of residue 97
GLU
Atom CE of residue 64
Atom CA of residue 581
LEU
Atom CA of residue 32
Atom CD1 of residue 16
Atom CB of residue 139
Atom NE2 of residue 117
Atom CA of residue 435
Atom C of residue 528
Atom CA of residue 2685
ILE
Atom CA of residue 107
GLN
Atom C of residue 69
Atom CA of residue 70
Atom CA of residue 56
Atom CG2 of residue 564
Atom CA of residue 94
Atom C of residue 25
GLY
THR
Atom O of residue 133
Atom N of residue 146
PRO
LEU
Atom N of residue 472
Atom C of residue 87
Atom CG2 of residue 532
Atom CG2 of residue 30
Atom CA of residue 521
PRO
GLU
Atom CB of residue 21
ASN
Atom CA of residue 2635
SER
Atom CA of residue 1
Atom N of residue 149
ASP
Atom C of residue 560
Atom CG1 of residue 27
Atom C of residue 132
ASP
ARG
PRO
GLY
Atom CB of residue 134
1z5s_A.pdb
Atom CA of residue 2645
ASP
Atom CA of residue 126
Atom CA of residue 484
ARG
Atom CA of residue 513
Atom OD2 of residue 433
Atom CA of residue 448
Atom N of residue 19
Atom CA of residue 27
Atom CA of residue 547
ARG
LYS
PRO
GLN
GLU
Atom CB of residue 86
Atom OE1 of residue 571
Atom CB of residue 111
SER
PRO
Atom CA of residue 47
Atom CA of residue 132
PRO
GLU
TYR
Atom CA of residue 40
Atom CA of residue 439
PRO
Atom CA of residue 49
TYR
Atom O of residue 105
Atom N of residue 65
Atom C of residue 150
SER
Atom O of residue 10
Atom O of residue 520
Atom CA of residue 504
mol0
Atom CG of residue 146
Atom CB of residue 146
Atom CA of residue 60
Atom O of residue 63
ASP
Atom O of residue 528
Atom CA of residue 56
Atom CA of residue 489
SER
Atom O of residue 25
GLY
ALA
ALA
GLN
Atom C of residue 14
Atom CA of residue 578
Atom CA of residue 74
LYS
Atom CA of residue 128
Atom CA of residue 2640
Atom O of residue 87
ILE
GLY
Atom N of residue 65
LEU
GLU
Atom CA of residue 37
Atom CA of residue 120
GLU
Atom CA of residue 329
Atom CE2 of residue 437
Atom CG2 of residue 27
Atom N of residue 565
Atom CA of residue 94
Atom N of residue 50
LEU
LYS
Atom CD1 of residue 30
GLY
Atom CA of residue 101
Atom CD2 of residue 16
ASN
Atom CD of residue 43
Atom CA of residue 2636
PRO
Chain A
GLN
ASP
GLY
Atom N of residue 119
ILE
Atom N of residue 118
Atom CA of residue 41
Atom CG1 of residue 532
Atom CG of residue 139
Atom O of residue 69
MET
Atom CA of residue 433
Atom C of residue 77
Atom O of residue 560
Atom O of residue 132
Atom CA of residue 71
Atom CA of residue 128
Atom CA of residue 552
LEU
Atom CD of residue 14
ARG
Atom CG of residue 134
GLN
Atom CA of residue 351
Atom CA of residue 8
Atom CB of residue 528
Atom CA of residue 346
GLN
LYS
LEU
Atom CA of residue 71
Atom N of residue 434
LEU
GLU
Atom CA of residue 35
Atom CA of residue 2676
Atom O of residue 150
Atom OE2 of residue 83
THR
VAL
Atom C of residue 49
Atom CA of residue 247
Atom CA of residue 65
Atom CA of residue 583
PRO
Atom CB of residue 87
Chain D
Atom CB of residue 133
Atom CA of residue 58
Atom CA of residue 89
Atom CA of residue 57
Atom CA of residue 235
Atom O of residue 148
Atom C of residue 128
PRO
ALA
Atom CB of residue 105
Atom CA of residue 29
Atom CB of residue 520
Atom CB of residue 10
Atom CA of residue 65
ALA
GLY
ARG
VAL
GLU
Atom CB of residue 63
ALA
Atom C of residue 578
Atom CA of residue 18
Atom CZ of residue 437
Atom N of residue 28
ARG
THR
Atom CA of residue 133
ASP
Atom CB of residue 25
ASN
Atom CG of residue 111
Atom CA of residue 101
Atom CA of residue 485
Atom NE1 of residue 16
Atom CA of residue 2686
THR
SER
VAL
Atom CA of residue 573
Atom CA of residue 19
Atom C of residue 117
LYS
SER
GLU
Atom CB of residue 39
LYS
Atom CA of residue 53
Atom C of residue 504
Atom CA of residue 2655
Atom CA of residue 108
Atom CA of residue 57
LYS
GLN
Atom CA of residue 582
Atom CA of residue 95
GLU
Atom CG of residue 86
Atom CG of residue 528
Atom CA of residue 514
Atom OE1 of residue 43
Atom CA of residue 72
Atom CB of residue 69
Atom CA of residue 28
Atom CA of residue 116
PRO
Atom CA of residue 522
Atom C of residue 552
ALA
TYR
ASP
Atom CD1 of residue 134
Atom CD of residue 139
Atom CA of residue 77
Atom CA of residue 449
GLU
Atom CA of residue 127
GLN
GLU
Atom CB of residue 132
Atom CA of residue 156
Atom CA of residue 48
GLY
Atom CA of residue 24
Atom CE of residue 14
Atom O of residue 496
THR
Atom CA of residue 472
Atom CA of residue 50
Atom CA of residue 112
Atom CA of residue 548
SER
Atom CA of residue 61
THR
LEU
Atom CA of residue 50
Atom CA of residue 26
Atom CA of residue 65
Atom N of residue 438
Atom CA of residue 36
Atom CA of residue 463
ASP
Atom C of residue 101
Atom CG of residue 133
Atom CA of residue 9
SER
Atom CG of residue 10
Atom CA of residue 4
GLU
Atom CD1 of residue 532
Atom O of residue 128
Atom CA of residue 2641
CYS
Atom O of residue 117
1z5s_A.pdb
Atom O of residue 578
Atom N of residue 84
PHE
GLY
Atom CA of residue 198
Atom CA of residue 233
SER
Atom CG of residue 63
ASP
PHE
LYS
Atom CG of residue 48
Atom CA of residue 490
THR
PRO
Atom CA of residue 69
LEU
Atom CB of residue 148
Atom CA of residue 565
SER
LEU
Atom CD of residue 111
LYS
GLN
Atom CA of residue 116
GLY
Atom CA of residue 330
PHE
Atom CA of residue 526
Atom CA of residue 79
Atom CA of residue 316
Atom CA of residue 95
PHE
Atom C of residue 19
Atom CG of residue 105
Atom CA of residue 474
GLY
LEU
TRP
Atom CA of residue 10
Atom N of residue 31
Atom CA of residue 134
LEU
Atom CA of residue 30
Atom CG2 of residue 132
Atom CA of residue 118
Atom CG of residue 25
GLY
Atom CA of residue 352
Atom O of residue 552
Atom OG1 of residue 87
Atom CA of residue 25
Atom C of residue 472
Atom CA of residue 128
Atom CB of residue 117
Atom SD of residue 39
Atom C of residue 50
Atom CB of residue 150
GLN
Atom O of residue 433
LYS
Atom CA of residue 121
UpdateRigidBodyMembers14
Atom O of residue 26
Atom CA of residue 347
Atom CD2 of residue 134
LEU
Atom O of residue 68
LYS
Atom CA of residue 2677
LEU
Atom CA of residue 248
Atom N of residue 533
VAL
ALA
THR
Atom O of residue 504
Atom NZ of residue 14
Atom CB of residue 578
ARG
Atom CB of residue 496
Atom CA of residue 59
Atom CG of residue 520
SER
Atom CD1 of residue 86
TYR
Atom CA of residue 5
1z5s_A.pdb
LYS
SER
VAL
LEU
Atom CA of residue 584
Atom CA of residue 2693
THR
THR
Atom CA of residue 20
Atom CA of residue 119
Atom O of residue 101
Atom CA of residue 49
Atom CA of residue 90
Chain C
Atom CA of residue 21
Atom CB of residue 128
Atom CA of residue 34
Atom CA of residue 574
Atom CE2 of residue 16
Atom CD of residue 105
LEU
ALA
HIS
Atom CD of residue 528
Atom CA of residue 117
Atom CA of residue 2687
ALA
Atom CA of residue 62
ALA
VAL
LYS
ASP
Atom CA of residue 481
Atom CA of residue 109
ASP
Atom OE1 of residue 139
Atom CA of residue 58
Atom CA of residue 96
LYS
Atom C of residue 65
Atom CA of residue 54
Atom CB of residue 552
Atom CA of residue 30
ASN
GLU
Atom CD of residue 133
Atom N of residue 69
Atom SD of residue 10
Atom CB of residue 504
PRO
Atom O of residue 50
Atom CA of residue 439
ALA
Atom CA of residue 523
Atom CA of residue 583
Atom CB of residue 26
GLU
THR
Atom C of residue 148
Atom C of residue 118
Atom CZ of residue 87
Atom CD of residue 48
PRO
Atom N of residue 151
Atom CA of residue 37
Atom CB of residue 433
Atom CA of residue 28
Atom CG1 of residue 132
Atom C of residue 565
SER
Atom CA of residue 450
Atom CA of residue 70
ASP
LYS
Atom SD of residue 520
Atom O of residue 472
GLU
Atom CE of residue 39
Atom NE2 of residue 43
Atom CA of residue 549
PRO
Atom CA of residue 24
ALA
Atom CA of residue 135
Atom O of residue 19
Atom CE1 of residue 134
Atom CA of residue 26
LEU
Atom C of residue 65
PHE
Atom C of residue 119
Atom CA of residue 392
LYS
GLY
Atom CA of residue 49
Atom CA of residue 51
ASP
Atom N of residue 3
Atom CA of residue 438
Atom OE1 of residue 111
TYR
Atom CA of residue 21
PRO
Atom CG2 of residue 87
Atom CA of residue 123
LEU
Atom CA of residue 84
Atom CA of residue 62
ASP
LYS
Atom OH of residue 87
Atom CG1 of residue 117
Atom CA of residue 491
Atom CA of residue 84
LEU
SER
Atom NE2 of residue 139
Atom CD of residue 63
SER
Atom CA of residue 118
Atom CB of residue 101
Atom CA of residue 10
ASP
Atom CD2 of residue 86
Atom CD of residue 25
Atom CA of residue 78
Atom N of residue 134
Atom CA of residue 2642
THR
Atom CA of residue 442
MET
Atom N of residue 106
Atom CA of residue 475
ILE
Atom N of residue 497
VAL
PHE
Atom CA of residue 122
ILE
Atom CE of residue 528
Atom CA of residue 331
Atom CA of residue 317
Atom CA of residue 96
Atom CG of residue 578
Atom CA of residue 29
Atom CA of residue 31
ARG
Atom CA of residue 3
VAL
Atom C of residue 28
Atom CE of residue 10
Atom CA of residue 31
LEU
Atom CA of residue 584
ALA
SER
Atom CA of residue 26
SER
Atom CA of residue 85
ASP
Atom C of residue 135
GLU
Atom CA of residue 80
PRO
Atom N of residue 27
ARG
Atom CA of residue 2634
Atom O of residue 119
ALA
Atom O of residue 118
Atom CA of residue 17
GLU
Atom CA of residue 2
Atom CE of residue 48
Atom CA of residue 348
Atom C of residue 438
ASP
Atom CG of residue 433
Atom NE2 of residue 111
Atom CA of residue 98
Atom CA of residue 353
Atom O of residue 565
ASN
Atom CA of residue 2678
Atom CE of residue 520
Atom CB of residue 472
Atom CA of residue 249
LYS
Atom O of residue 65
Atom CA of residue 23
ASP
THR
Atom CG of residue 552
Atom CB of residue 19
Atom OG of residue 504
Atom CG2 of residue 117
Atom C of residue 78
Atom C of residue 84
Atom CA of residue 585
AccumulateRigidBodyDerivatives7
Atom CD of residue 146
Atom O of residue 65
Atom CA of residue 53
Atom OE1 of residue 63
SER
Atom O of residue 14
Atom CA of residue 124
MET
Atom CA of residue 91
Atom CA of residue 31
Atom N of residue 87
Atom N of residue 26
Atom CA of residue 22
GLY
ALA
UpdateRigidBodyMembers21
GLN
Atom CB of residue 50
Atom CA of residue 120
LYS
GLN
Atom N of residue 44
Atom CA of residue 60
Atom CG of residue 128
THR
Atom CA of residue 136
Atom CA of residue 45
Atom CD1 of residue 132
Atom CA of residue 63
PRO
ALA
Atom CA of residue 482
HIS
ARG
UpdateRigidBodyMembers6
Atom O of residue 28
Atom N of residue 11
Atom C of residue 31
LEU
THR
Atom CA of residue 160
Atom N of residue 88
Atom CA of residue 575
ALA
GLN
SER
Atom CA of residue 2633
Atom CA of residue 55
Chain A
Atom CB of residue 118
GLU
Atom CA of residue 529
Atom CB of residue 65
VAL
Atom N of residue 140
GLY
Atom CA of residue 110
Atom CA of residue 533
Atom CA of residue 59
TYR
Atom CA of residue 97
Atom O of residue 438
Atom CZ of residue 147
GLU
LEU
Atom CA of residue 88
ILE
Atom CA of residue 71
Atom CA of residue 28
Atom CA of residue 41
GLU
Atom CA of residue 440
Atom CA of residue 2688
GLU
Atom CA of residue 524
ARG
Atom N of residue 88
Atom N of residue 118
VAL
Atom O of residue 84
ILE
Atom CA of residue 6
Atom NE2 of residue 63
Atom CA of residue 129
ASP
Atom CB of residue 119
Atom C of residue 147
THR
Atom CA of residue 50
LEU
Atom CA of residue 434
UpdateRigidBodyMembers15
SER
Atom CA of residue 11
Atom CB of residue 565
Atom CA of residue 443
ILE
TYR
Atom CA of residue 32
Atom CA of residue 86
Atom N of residue 521
Atom CD of residue 128
Atom N of residue 473
Atom ND1 of residue 578
Atom CA of residue 550
Atom CA of residue 393
LEU
Atom N of residue 133
THR
Atom CG of residue 118
Atom CA of residue 63
Atom CA of residue 505
ASP
Atom NZ of residue 528
TRP
Atom CA of residue 30
Atom N of residue 112
Atom O of residue 31
SER
Atom CA of residue 451
Atom CA of residue 161
Atom CG of residue 101
ARG
Atom CA of residue 2643
PHE
Atom CA of residue 106
Atom C of residue 41
Atom CG of residue 50
Atom CA of residue 476
VAL
mol_2 rigid body rigid body positions
Atom CG of residue 65
ASN
Atom CA of residue 134
Atom CG of residue 19
Atom CB of residue 14
Atom CA of residue 492
Atom CE2 of residue 134
LYS
Atom CA of residue 125
Atom C of residue 533
LYS
Atom CA of residue 123
Atom CA of residue 52
LEU
Atom ND2 of residue 508
Atom CA of residue 46
LEU
Atom CA of residue 332
DensityMap918
Atom CB of residue 28
LEU
Atom CA of residue 318
Atom CA of residue 97
PRO
SER
PRO
GLU
LEU
Atom CD of residue 552
LEU
THR
Atom CA of residue 137
GLY
Atom CA of residue 6
ARG
ARG
LYS
PRO
Atom CB of residue 12
ASN
Atom CA of residue 445
Atom C of residue 31
Atom CA of residue 151
Atom CA of residue 32
Atom CA of residue 26
Atom CA of residue 99
Atom CA of residue 360
Atom CG of residue 64
Atom N of residue 129
TYR
ARG
Atom N of residue 505
Atom CB of residue 76
Atom CD2 of residue 578
Atom CA of residue 349
TYR
PHE
THR
Atom CA of residue 497
Atom CB of residue 31
SER
LEU
Atom C of residue 569
Atom CA of residue 118
Atom CA of residue 23
Atom C of residue 26
Atom CA of residue 250
ASP
ILE
THR
Atom CA of residue 32
PHE
TYR
Atom CD of residue 101
ARG
ASN
Atom CA of residue 54
PRO
python stream
VAL
Atom CA of residue 44
Atom CA of residue 28
CYS
Atom CD of residue 118
Atom C of residue 151
Atom N of residue 75
Atom CA of residue 140
GLY
Atom OE2 of residue 118
Atom N of residue 64
Atom OD1 of residue 19
ASP
PRO
Atom CZ of residue 134
AccumulateRigidBodyDerivatives15
Atom CA of residue 586
GLU
Atom CG of residue 14
Atom CB of residue 438
Atom CA of residue 92
Atom CA of residue 88
Atom CA of residue 2679
Atom CG of residue 565
GLY
Atom N of residue 553
Atom CA of residue 576
Atom N of residue 40
Atom CA of residue 2689
VAL
ASN
Atom N of residue 529
Atom CB of residue 84
Atom CA of residue 64
VAL
Atom CA of residue 447
Atom CA of residue 111
SER
Atom CA of residue 56
Atom O of residue 533
Atom CA of residue 60
Atom CA of residue 585
Atom N of residue 509
LYS
Atom CE1 of residue 578
mol_3
Atom CA of residue 100
Atom CA of residue 61
Atom CA of residue 78
Atom CA of residue 89
ALA
PRO
SER
Atom CA of residue 47
Atom C of residue 497
Atom CA of residue 525
Atom CA of residue 38
Atom C of residue 106
Atom CD of residue 50
Atom CA of residue 126
Atom CA of residue 24
PRO
Atom CA of residue 87
ALA
Atom CA of residue 68
THR
Atom CA of residue 112
Atom C of residue 134
Atom CA of residue 452
Atom CA of residue 88
Atom C of residue 26
normalize rigid bodies
Atom CA of residue 14
Atom CE of residue 101
Atom CG of residue 28
Atom CA of residue 138
GLU
Atom C of residue 44
PRO
ALA
Atom CA of residue 473
Atom O of residue 151
Atom CA of residue 551
CYS
Atom CA of residue 437
Atom CA of residue 521
MET
Atom C of residue 88
Atom CA of residue 444
THR
Atom OH of residue 134
LYS
Atom CA of residue 66
CoarseCC2
Atom CD of residue 65
Atom CA of residue 31
VAL
GLY
Atom CA of residue 51
GLU
Atom CD of residue 565
LYS
Atom CA of residue 477
GLU
rigid bodies list
GLU
GLU
Atom C of residue 87
AccumulateRigidBodyDerivatives21
VAL
ALA
Atom OE1 of residue 118
Atom C of residue 140
PHE
SER
Atom CA of residue 64
GLU
Atom OD2 of residue 19
Atom CA of residue 448
Atom O of residue 152
Atom CA of residue 493
LYS
Atom CA of residue 87
Atom CB of residue 117
ALA
VAL
CYS
Atom CG of residue 438
LYS
SER
LEU
Atom CA of residue 38
Atom CA of residue 2644
SER
Atom CA of residue 124
Atom C of residue 505
TYR
Atom CA of residue 333
GLN
PRO
LEU
HIS
Atom CA of residue 319
Atom CA of residue 586
Atom C of residue 88
Atom NE of residue 50
Atom CG of residue 84
Atom O of residue 31
Atom CA of residue 33
Atom CB of residue 533
Atom N of residue 32
LEU
Atom CB of residue 151
Atom CA of residue 438
SER
Atom CB of residue 117
Atom O of residue 44
Atom CA of residue 133
Atom NH1 of residue 147
TRP
Atom O of residue 497
Atom CA of residue 88
ASP
Atom C of residue 521
Atom N of residue 119
Atom CA of residue 64
Atom O of residue 87
Atom O of residue 106
Atom O of residue 88
Atom NE2 of residue 578
GLN
Atom CA of residue 350
Atom C of residue 112
TYR
ALA
LEU
Atom O of residue 26
Atom CA of residue 2680
PHE
Atom NZ of residue 101
Atom CA of residue 361
Atom CA of residue 251
SER
Atom C of residue 529
SER
Atom CA of residue 127
ASP
Atom CA of residue 55
Atom N of residue 135
GLY
Atom CA of residue 587
Atom CA of residue 435
TYR
Atom CA of residue 86
Atom CE of residue 65
Atom CA of residue 75
Atom O of residue 140
Atom CA of residue 62
Atom CA of residue 93
Atom CA of residue 17
Atom C of residue 473
PRO
Atom CA of residue 139
GLU
Atom CA of residue 67
Atom CE of residue 565
Atom CA of residue 33
Atom CB of residue 152
ALA
Atom CA of residue 2629
Atom O of residue 134
Atom CA of residue 80
Model 43
Atom CZ of residue 50
Atom CA of residue 65
Atom CA of residue 129
Atom CA of residue 553
Atom N of residue 20
Atom O of residue 88
Atom CG of residue 39
Atom CA of residue 2690
LEU
TYR
Atom CA of residue 32
ASN
Atom CA of residue 162
Atom CA of residue 39
Atom NH2 of residue 61
DensityMap13
Atom CA of residue 90
Atom CB of residue 87
Atom CA of residue 39
LYS
Atom CD of residue 28
Atom C of residue 133
LEU
Atom CA of residue 2663
ASN
Atom CA of residue 577
Atom CB of residue 88
Atom CA of residue 31
Atom CB of residue 31
GLU
Atom CA of residue 11
Atom CA of residue 395
Atom CD of residue 61
LEU
GLN
TYR
Atom CA of residue 112
Atom CA of residue 17
Atom CA of residue 61
Atom N of residue 135
LYS
VAL
GLY
Atom CD1 of residue 438
Model 25
Atom CA of residue 453
Atom CA of residue 2663
Atom C of residue 75
Atom CB of residue 497
Atom O of residue 521
Atom CA of residue 526
Atom C of residue 64
TYR
Atom CB of residue 106
Atom CA of residue 57
Atom C of residue 118
Atom CD of residue 84
Atom CA of residue 52
Atom CA of residue 445
ALA
Atom O of residue 112
LEU
GLU
GLU
Atom O of residue 505
Atom CB of residue 88
Atom CB of residue 26
Atom N of residue 153
Atom CA of residue 478
PRO
ARG
GLN
Atom CA of residue 552
Atom CB of residue 140
Atom CA of residue 89
CYS
Atom C of residue 129
Atom CA of residue 65
Atom C of residue 553
GLY
Atom O of residue 473
THR
Atom CA of residue 2647
THR
Atom CA of residue 66
Atom CA of residue 32
THR
LEU
GLY
UpdateRigidBodyMembers0
MET
Atom N of residue 579
Atom CB of residue 44
Atom N of residue 29
LEU
Atom NZ of residue 565
Atom CA of residue 39
ARG
Atom CA of residue 128
GLY
Atom O of residue 146
GLY
Atom N of residue 62
Atom CA of residue 125
HIS
Atom CA of residue 494
Atom CA of residue 334
ILE
ASP
ARG
Atom CA of residue 320
Atom CA of residue 140
ARG
Atom O of residue 75
Atom CA of residue 2632
Atom N of residue 534
LEU
LEU
Atom CA of residue 443
Atom NE of residue 61
LEU
Atom CD2 of residue 438
LEU
Atom O of residue 133
Atom O of residue 529
Atom O of residue 118
ARG
Atom CG of residue 151
GLU
Atom CA of residue 34
Atom NE of residue 84
PRO
ARG
Atom NZ of residue 65
ASP
TYR
GLY
Atom CA of residue 362
ALA
Atom CA of residue 34
Atom CA of residue 41
ASN
MET
Atom CA of residue 351
SER
Atom CA of residue 9
Atom N of residue 102
Atom CA of residue 2681
Atom CA of residue 69
PRO
Atom CG of residue 497
Atom O of residue 553
CYS
ASN
Atom CA of residue 252
Atom CA of residue 135
Chain D
GLU
Atom O of residue 64
Atom CB of residue 505
Atom CA of residue 153
ASN
SER
Atom C of residue 61
Atom CA of residue 56
Atom OG1 of residue 87
SER
LYS
Atom CB of residue 112
Atom CA of residue 25
THR
CYS
Atom CG of residue 88
Atom CA of residue 63
Atom CA of residue 81
Atom O of residue 129
Atom CB of residue 473
VAL
Atom N of residue 107
Atom CA of residue 6
Atom CA of residue 2633
Atom CA of residue 163
Atom NZ of residue 74
Atom CB of residue 118
Atom CA of residue 40
ASN
Atom CA of residue 94
Atom CA of residue 119
Atom CA of residue 91
Atom CA of residue 54
Atom CA of residue 379
Atom CE3 of residue 16
SER
Atom CA of residue 2691
ARG
Atom N of residue 439
Atom OG1 of residue 44
Atom CA of residue 23
PRO
MET
LEU
Atom CA of residue 578
Atom C of residue 61
Atom CG of residue 26
Atom CA of residue 2664
Atom CA of residue 52
Atom CA of residue 449
Atom C of residue 40
MET
Atom CA of residue 58
Atom CG of residue 140
Atom CA of residue 66
Atom NH1 of residue 50
Atom CA of residue 113
ILE
Atom CA of residue 10
Atom CZ of residue 84
Atom CA of residue 396
Atom CA of residue 62
SER
Atom N of residue 522
Atom CB of residue 529
Atom CD of residue 76
Atom CG of residue 88
LYS
Atom CA of residue 129
ASP
Atom CB of residue 133
Atom C of residue 11
ALA
ASP
Atom CB of residue 75
Atom CA of residue 135
Atom CA of residue 527
LYS
LYS
PRO
SER
Atom CA of residue 454
Atom CA of residue 141
Atom C of residue 135
TRP
Atom CD1 of residue 497
VAL
Atom CA of residue 29
LYS
Atom CA of residue 25
Atom CA of residue 93
Atom CA of residue 479
Atom CD of residue 151
Model 23
SER
Atom CA of residue 446
Atom N of residue 31
Atom CA of residue 553
Atom CA of residue 4
ILE
ILE
Atom CB of residue 64
VAL
Atom CD of residue 76
Atom CG of residue 118
VAL
Atom N of residue 66
Atom CA of residue 33
PHE
Atom CA of residue 534
LEU
LEU
Atom O of residue 11
Atom C of residue 119
ARG
Atom CG2 of residue 87
PHE
Atom C of residue 32
DensityMap1071
Atom CA of residue 85
PRO
PRO
Atom CD1 of residue 570
ARG
VAL
Atom CA of residue 62
PHE
Atom CB of residue 129
Atom CA of residue 66
THR
Atom CA of residue 10
Atom CA of residue 495
Atom NH2 of residue 50
Atom CB of residue 116
LYS
GLN
HIS
Atom O of residue 61
Atom CA of residue 90
ASP
Atom CA of residue 335
Atom CA of residue 439
Atom CG1 of residue 112
NullModifier3
ILE
ASN
Atom CA of residue 102
Atom CA of residue 321
Atom CD1 of residue 26
Atom CA of residue 70
LEU
LYS
Atom C of residue 135
MET
Atom CB of residue 553
Atom OD1 of residue 88
PHE
Atom CA of residue 28
Atom CG of residue 473
Atom N of residue 75
Atom CA of residue 35
LEU
GLY
Atom CA of residue 444
Atom OG of residue 505
ASP
LEU
Atom CA of residue 26
Atom CA of residue 32
VAL
Atom N of residue 566
Atom CB of residue 11
Atom CA of residue 5
Atom CG of residue 31
Atom O of residue 135
Atom CG2 of residue 44
ILE
Atom CA of residue 126
Atom CA of residue 107
Atom CA of residue 579
Atom CA of residue 352
Atom OE1 of residue 151
Atom NH2 of residue 84
Atom CA of residue 91
ASN
VAL
Atom CA of residue 2682
ASP
Atom CA of residue 13
Atom CA of residue 19
Atom O of residue 119
Atom CA of residue 436
Atom CA of residue 253
LYS
Atom CA of residue 130
Atom CA of residue 130
Atom CA of residue 26
Atom CD2 of residue 497
Atom C of residue 29
Atom CA of residue 363
Atom CA of residue 446
Atom C of residue 10
Atom CD of residue 88
GLU
ALA
Atom SG of residue 573
ALA
Atom CA of residue 55
Atom CA of residue 142
THR
Atom CA of residue 432
Atom CA of residue 64
Atom CA of residue 164
Atom CA of residue 449
Atom C of residue 534
Atom CA of residue 95
VAL
Atom CA of residue 2645
Atom CG1 of residue 529
Atom C of residue 102
Atom OD1 of residue 140
ALA
ASP
Atom CA of residue 2665
HIS
Atom O of residue 77
Atom CA of residue 53
Atom CA of residue 82
Atom CA of residue 2630
VAL
Atom CA of residue 380
PRO
Atom CA of residue 2692
ASN
ARG
Atom CA of residue 67
GLN
Atom N of residue 130
TYR
CYS
Atom CA of residue 132
Atom CA of residue 522
Atom CG of residue 11
Atom O of residue 32
Atom CA of residue 57
Atom CG of residue 64
VAL
Atom CA of residue 59
GLY
Atom CA of residue 92
Atom CA of residue 35
GLN
Atom CD of residue 118
Atom C of residue 579
LEU
Atom CA of residue 397
Atom CA of residue 579
LEU
Atom N of residue 45
HIS
Atom CG of residue 133
Atom N of residue 554
Atom C of residue 107
THR
Fit restraint
Atom CD1 of residue 473
Atom C of residue 66
Atom N of residue 51
Atom CA of residue 114
GLN
Atom CA of residue 63
Atom C of residue 153
TRP
Atom C of residue 62
Atom CA of residue 28
ILE
Atom CA of residue 455
PHE
LEU
Atom CA of residue 480
Atom CA of residue 67
Atom CA of residue 7
GLN
Atom N of residue 506
Atom O of residue 10
HIS
Atom CB of residue 135
GLN
Atom CA of residue 528
GLN
VAL
Atom CA of residue 16
VAL
LYS
SER
Atom CB of residue 119
Atom CA of residue 433
Atom N of residue 498
Atom ND2 of residue 140
Atom O of residue 29
Atom CA of residue 94
Atom OD1 of residue 508
Atom CG2 of residue 112
TRP
Atom CB of residue 32
LEU
Atom CD2 of residue 26
Atom CA of residue 554
Atom CB of residue 77
Atom CA of residue 131
SER
Atom CA of residue 67
Atom C of residue 75
Atom OD1 of residue 31
Atom O of residue 135
Atom CA of residue 92
PHE
MET
Atom N of residue 89
TYR
ALA
Atom CA of residue 34
Atom CA of residue 68
Atom C of residue 522
VAL
Atom O of residue 102
GLU
GLN
Atom CA of residue 2631
SER
Atom OD2 of residue 88
Atom CA of residue 447
ASP
Atom CA of residue 71
VAL
Atom CD of residue 133
Atom CA of residue 127
Atom N of residue 88
Atom CA of residue 336
Atom O of residue 62
Atom CA of residue 10
MET
Atom CA of residue 322
Atom CA of residue 56
Atom CA of residue 496
ASP
LEU
VAL
LEU
Atom N of residue 574
Atom CB of residue 10
Atom CA of residue 77
GLY
Atom CA of residue 29
HIS
Atom CE of residue 118
Atom O of residue 153
PHE
Atom O of residue 534
LYS
LYS
ASP
Atom CG2 of residue 529
Atom O of residue 107
Atom NE2 of residue 151
Atom CA of residue 19
Atom CA of residue 85
Atom CD1 of residue 11
Atom CA of residue 36
Atom CA of residue 85
Atom CG of residue 32
Atom N of residue 89
ARG
Atom CA of residue 353
Atom CA of residue 134
Atom N of residue 141
Atom CA of residue 364
THR
Atom CA of residue 441
Atom CA of residue 27
SER
Atom O of residue 579
Atom CA of residue 2683
Atom CA of residue 132
Atom CD1 of residue 112
Atom CA of residue 11
Atom CB of residue 135
SER
SER
Atom N of residue 27
GLY
Atom CG2 of residue 135
ALA
Atom CA of residue 498
Atom CA of residue 587
Atom CA of residue 54
ASP
Atom CA of residue 143
ALA
Atom CA of residue 58
Atom CA of residue 165
LEU
Atom CA of residue 2666
HIS
GLN
Atom SD of residue 64
LYS
Atom CA of residue 65
THR
Atom CB of residue 29
Atom N of residue 134
Atom CA of residue 54
Atom CA of residue 24
Atom CA of residue 21
Atom O of residue 522
Atom CA of residue 130
Atom CD of residue 118
Atom CB of residue 153
Atom ND2 of residue 31
ALA
Atom O of residue 66
Atom CD2 of residue 473
VAL
Atom CA of residue 381
ALA
Atom CA of residue 96
SER
Atom CA of residue 93
Atom CA of residue 36
ALA
mol_1
Atom O of residue 117
Atom CA of residue 119
Atom CB of residue 62
Atom CB of residue 102
Atom CB of residue 534
ARG
Atom CA of residue 580
GLY
Atom C of residue 439
GLU
Atom CA of residue 60
ASP
Atom CA of residue 27
Atom CG of residue 571
ALA
Atom CA of residue 398
Atom CA of residue 68
Atom CA of residue 442
Atom CA of residue 31
Atom CA of residue 45
Atom CA of residue 115
PHE
Atom CA of residue 64
SER
Atom CA of residue 16
LYS
PRO
VAL
Atom N of residue 530
Atom CA of residue 481
Atom CA of residue 51
Atom CA of residue 459
NullModifier1
Atom CG of residue 135
ARG
Atom CB of residue 579
Atom CA of residue 2693
PHE
Atom OG1 of residue 135
Atom CA of residue 529
GLU
TYR
Atom CA of residue 9
ARG
ASP
GLY
PHE
Atom CA of residue 434
Atom CE of residue 64
Atom O of residue 75
Atom CA of residue 89
TYR
Atom C of residue 85
LYS
ARG
Atom CA of residue 448
Atom CA of residue 95
Atom N of residue 11
Atom CA of residue 36
Atom N of residue 113
MET
GLU
LEU
GLU
Atom C of residue 506
Atom N of residue 152
Atom CA of residue 555
normalize rigid bodies
PHE
Atom CZ of residue 61
Atom CA of residue 32
Atom CA of residue 29
PHE
Atom CE1 of residue 473
Atom CA of residue 89
Atom CA of residue 561
Atom CA of residue 72
GLN
ILE
Atom CD2 of residue 11
Atom CA of residue 456
Atom CA of residue 88
Atom CA of residue 554
LEU
ALA
Atom CB of residue 66
Atom O of residue 439
Atom CA of residue 133
LEU
GLY
LYS
Atom CA of residue 279
Atom CA of residue 2662
ARG
Atom CB of residue 522
Atom OE1 of residue 118
Atom CA of residue 68
CYS
TYR
Atom C of residue 51
Atom CA of residue 128
LEU
Atom CA of residue 23
Atom CB of residue 107
Atom N of residue 580
SER
ALA
AccumulateRigidBodyDerivatives20
CoarseCC6
Atom CA of residue 323
VAL
Atom CA of residue 530
LYS
VAL
LYS
Atom CG of residue 534
Atom CA of residue 93
Atom C of residue 130
Atom CD of residue 32
ILE
Atom CA of residue 27
Atom CA of residue 78
GLY
Atom CA of residue 135
LEU
Atom OG1 of residue 29
PHE
Atom CA of residue 460
Atom SG of residue 75
Atom CA of residue 141
Atom N of residue 65
ALA
Atom CA of residue 35
THR
THR
VAL
MET
Atom CA of residue 506
Atom CA of residue 11
Atom CG of residue 62
Atom CA of residue 53
GLN
Chain D
Atom CD1 of residue 135
Atom NZ of residue 118
Atom CA of residue 354
LEU
Atom CA of residue 53
GLY
Atom CA of residue 144
Atom CB of residue 75
Atom N of residue 32
Atom O of residue 85
Atom CA of residue 28
Atom CA of residue 166
LEU
Atom CA of residue 94
Atom CG of residue 153
Atom CA of residue 254
Atom C of residue 45
LEU
mol1
Atom CA of residue 365
Atom CA of residue 86
Atom C of residue 554
Atom CA of residue 59
ARG
PHE
THR
LEU
Atom CA of residue 55
Atom CA of residue 2629
LEU
ILE
Atom CA of residue 280
Atom CA of residue 32
GLU
THR
Atom CA of residue 37
Atom CA of residue 574
Atom CD of residue 571
Atom CA of residue 144
Atom O of residue 51
Atom CA of residue 97
Atom NH1 of residue 61
Atom C of residue 88
Atom CA of residue 22
Atom CA of residue 2684
Atom C of residue 498
Atom CA of residue 66
Atom OE1 of residue 32
Atom CA of residue 581
Atom CA of residue 382
LYS
Atom N of residue 136
SER
Atom CG of residue 102
MapReaderWriter28
GLN
PRO
Atom CA of residue 102
VAL
ILE
Atom CA of residue 37
ALA
Atom CA of residue 61
CoarseCC7
Atom O of residue 130
ASP
Atom CA of residue 152
Atom CB of residue 439
Atom CA of residue 463
Atom CA of residue 399
Atom CA of residue 4
Atom CA of residue 14
LEU
Atom CA of residue 94
Atom C of residue 89
Atom CA of residue 2667
Atom CA of residue 482
PHE
Atom OD1 of residue 534
CYS
PRO
LEU
Atom CA of residue 581
PRO
Atom C of residue 27
Atom N of residue 136
Atom CA of residue 30
Atom CA of residue 36
Atom CG2 of residue 29
Atom NH1 of residue 61
PRO
ALA
Atom CA of residue 134
VAL
Atom CE2 of residue 473
SER
Atom CA of residue 23
LYS
VAL
Atom CA of residue 116
Atom CA of residue 12
Atom CD2 of residue 135
Atom CA of residue 65
Atom CA of residue 457
THR
Atom O of residue 506
GLN
Atom CG1 of residue 107
Atom CA of residue 17
VAL
Atom O of residue 554
Atom CA of residue 29
Atom CA of residue 37
Atom CA of residue 453
GLN
Atom CA of residue 113
Atom C of residue 574
Atom CA of residue 256
Atom CG of residue 66
Atom CB of residue 51
Atom CA of residue 530
Atom CA of residue 582
LEU
Atom N of residue 85
LEU
Atom CA of residue 145
VAL
Atom N of residue 76
Atom NH2 of residue 61
Atom CA of residue 146
Atom CD of residue 153
Atom CA of residue 83
ASP
Atom CA of residue 96
LEU
Atom C of residue 530
Atom N of residue 119
ALA
ASP
LYS
Atom OD1 of residue 102
Atom C of residue 141
Atom C of residue 134
Atom N of residue 440
Atom CA of residue 556
GLU
Atom CG of residue 522
LEU
Atom CA of residue 69
LYS
VAL
Atom O of residue 498
Atom CA of residue 60
Atom CA of residue 57
LEU
SER
Atom C of residue 152
Chain A
Atom CA of residue 95
LEU
ASP
Atom O of residue 88
ILE
Atom CA of residue 12
ASP
VAL
Atom CA of residue 72
LEU
Atom SG of residue 75
ILE
PRO
Atom CE1 of residue 11
Atom CA of residue 324
GLU
Atom CB of residue 506
Atom CA of residue 281
Atom CG of residue 32
Atom O of residue 45
Atom CA of residue 18
ARG
ASN
Atom CB of residue 554
Atom CZ of residue 473
Atom C of residue 89
Atom CA of residue 79
Atom CA of residue 33
Atom SD of residue 62
ILE
Atom CA of residue 4
Atom CA of residue 459
Atom CB of residue 130
Atom CA of residue 28
Atom CA of residue 20
Atom CA of residue 65
Atom O of residue 11
Atom CG2 of residue 107
LYS
TYR
Atom CA of residue 73
rigid bodies list
Atom N of residue 575
PRO
Atom CG of residue 61
Atom O of residue 27
Atom CA of residue 131
ALA
LYS
SER
Atom CA of residue 167
LEU
TRP
Atom CA of residue 355
Atom N of residue 62
Atom CA of residue 129
LEU
Model 49
Atom CA of residue 2685
Atom CA of residue 465
Atom CA of residue 2647
Atom CA of residue 366
Atom CA of residue 13
GLN
LEU
VAL
Atom CA of residue 39
ASN
Atom OD2 of residue 102
Atom O of residue 141
LEU
Atom C of residue 580
Atom CA of residue 448
ALA
Atom C of residue 113
Atom CD1 of residue 522
Atom CA of residue 60
Atom CB of residue 88
Atom O of residue 89
Atom CA of residue 35
Atom CB of residue 45
ARG
Atom CA of residue 2668
ASP
Atom OD1 of residue 66
Atom O of residue 152
Atom OE2 of residue 32
LYS
Atom CA of residue 449
PHE
Atom CA of residue 27
LEU
Atom CA of residue 101
Atom CA of residue 562
normalize rigid bodies
Atom CA of residue 148
Atom O of residue 134
Atom CA of residue 20
THR
Atom N of residue 30
GLN
Atom CA of residue 383
Atom CE of residue 62
Atom CA of residue 38
Atom CB of residue 498
LEU
THR
ARG
Atom CB of residue 11
Atom CA of residue 95
Atom CA of residue 38
Atom CA of residue 483
Atom CA of residue 16
Atom CA of residue 575
GLU
Atom CA of residue 582
Atom CA of residue 582
Atom O of residue 89
MapReaderWriter26
Atom CG of residue 51
THR
Atom CA of residue 400
Atom ND2 of residue 534
Atom CA of residue 103
LEU
Atom CA of residue 71
Atom CG of residue 88
THR
Atom OG of residue 89
GLU
PHE
Atom CA of residue 117
Atom CA of residue 67
Atom CE2 of residue 11
Atom C of residue 65
Atom CE of residue 153
LEU
Atom CD1 of residue 107
ILE
LEU
Atom N of residue 76
Atom CA of residue 24
ASP
PRO
Atom CA of residue 61
Atom N of residue 103
Atom CA of residue 460
SER
Atom CA of residue 458
Atom CD of residue 32
Atom CA of residue 531
Atom CA of residue 14
Atom O of residue 530
Atom CB of residue 27
Atom CA of residue 136
Atom CG1 of residue 45
Atom CA of residue 62
GLN
ASP
SER
Atom CA of residue 133
Atom CG of residue 130
Atom CA of residue 135
Atom CA of residue 62
Atom CA of residue 147
Atom CB of residue 89
LEU
Atom CA of residue 255
ASN
Atom CA of residue 97
Atom CA of residue 115
Atom N of residue 63
Atom CB of residue 141
LYS
Atom CA of residue 557
Atom O of residue 113
LYS
PHE
Atom CD2 of residue 522
Atom CA of residue 583
LEU
GLU
Atom CA of residue 205
VAL
Atom CA of residue 58
LYS
Atom OG of residue 506
P2
Atom CB of residue 61
Atom CA of residue 74
Atom CA of residue 84
Atom O of residue 3
Atom N of residue 555
Atom N of residue 474
ALA
GLU
ILE
TRP
GLN
Atom N of residue 535
Atom N of residue 135
Atom CA of residue 69
Atom CA of residue 7
TRP
Atom C of residue 119
Atom CA of residue 464
Atom NH1 of residue 84
Atom CA of residue 70
SER
LEU
ARG
Atom N of residue 136
Atom CZ of residue 11
Atom N of residue 33
Atom CA of residue 325
GLN
Atom CG of residue 11
Atom NZ of residue 153
Atom CA of residue 498
GLN
VAL
Atom OG of residue 579
Atom CA of residue 80
1z5s.pdb rigid body rigid body positions
Atom OD2 of residue 66
MET
MET
SER
GLN
Atom CA of residue 96
python stream rigid body
Atom CG1 of residue 89
Atom CA of residue 168
Atom N of residue 33
Atom CB of residue 152
ALA
Atom CA of residue 62
Atom CA of residue 450
Atom N of residue 108
Atom CA of residue 2648
ALA
Atom CA of residue 432
Atom O of residue 65
LYS
Atom CA of residue 116
Atom CB of residue 530
Atom CA of residue 356
Atom CA of residue 440
Atom CA of residue 146
VAL
GLU
Atom CA of residue 102
Atom N of residue 33
Atom CA of residue 2686
Atom CA of residue 30
ASP
Atom CA of residue 9
THR
Atom N of residue 90
Atom C of residue 136
Atom OD1 of residue 51
Atom CA of residue 461
GLY
ASP
TYR
Atom CA of residue 2669
GLU
Atom CD of residue 130
Atom CA of residue 555
Atom CA of residue 61
LEU
Atom OD1 of residue 88
ARG
PRO
TYR
PRO
Atom CA of residue 367
Atom CA of residue 97
LEU
LEU
GLY
GLN
Atom CB of residue 113
LEU
Atom N of residue 523
LYS
ASP
Atom CA of residue 146
Atom CG of residue 27
Atom CA of residue 39
LEU
Atom CG of residue 498
Atom CA of residue 135
PHE
Atom OH of residue 11
Atom CB of residue 33
Atom CA of residue 154
GLN
Atom CA of residue 384
Atom CA of residue 484
SER
HIS
GLN
Atom CA of residue 583
Atom CA of residue 102
Atom CG of residue 141
Atom CA of residue 39
Atom CA of residue 104
GLY
Atom CA of residue 206
Atom CA of residue 63
TRP
Chain C
VAL
ASP
Atom CA of residue 176
Atom CA of residue 401
GLY
ASP
Atom CD of residue 11
Atom CG2 of residue 45
Atom CA of residue 96
Atom NH2 of residue 147
Atom N of residue 507
Atom CA of residue 580
Atom CA of residue 461
VAL
Atom C of residue 45
LYS
LEU
Atom CA of residue 583
Atom CA of residue 33
Model 45
Atom CA of residue 81
Atom C of residue 30
ILE
rigid bodies list
ASN
TYR
ALA
Atom CA of residue 133
Atom N of residue 5
Atom CA of residue 459
Atom N of residue 153
Atom CA of residue 118
Atom C of residue 575
Atom CA of residue 474
Atom CA of residue 108
VAL
Atom CB of residue 65
ARG
Atom C of residue 136
Atom CA of residue 63
Atom O of residue 136
Atom CA of residue 535
THR
ARG
GLU
ASN
Atom CA of residue 532
Atom CA of residue 584
VAL
GLY
Atom N of residue 67
SER
LYS
Atom CA of residue 82
Atom SD of residue 498
Atom N of residue 12
Atom O of residue 119
LEU
GLY
Atom CA of residue 75
Atom CA of residue 462
Atom CA of residue 136
TYR
LEU
ASP
Atom CA of residue 98
Atom CG2 of residue 89
SER
Atom CA of residue 34
Atom CA of residue 558
Atom CA of residue 103
LEU
Atom CA of residue 71
Atom C of residue 33
Atom CD of residue 27
Atom C of residue 440
python stream rigid body rigid body positions
GLY
LEU
THR
LEU
Atom CA of residue 500
MET
Atom CG1 of residue 4
ILE
ARG
Atom N of residue 154
Atom CA of residue 147
Atom O of residue 45
CYS
Atom CA of residue 98
Atom CA of residue 21
Atom CA of residue 326
PRO
THR
Atom OD2 of residue 88
Atom CA of residue 451
Atom CA of residue 103
Atom CB of residue 86
LYS
Atom CA of residue 61
Atom CG of residue 530
LEU
Atom C of residue 136
PRO
Atom CA of residue 169
PHE
Atom CA of residue 120
ARG
LYS
Atom N of residue 46
Atom CA of residue 130
Atom OE1 of residue 130
THR
Atom CA of residue 66
Atom C of residue 535
Atom CB of residue 119
Atom OD2 of residue 51
LEU
Atom O of residue 30
Atom O of residue 574
ILE
Atom CA of residue 177
Atom CA of residue 357
ASP
Atom CA of residue 71
PHE
Atom CA of residue 38
LEU
Atom CG of residue 33
THR
Atom CA of residue 2687
Atom C of residue 474
ILE
Atom CA of residue 81
Atom CA of residue 2649
Atom CA of residue 368
Atom C of residue 62
Atom C of residue 3
LEU
ASP
Atom C of residue 63
Atom CB of residue 136
Atom CA of residue 136
LEU
Atom CA of residue 86
LEU
Atom C of residue 103
Atom CD of residue 141
GLN
LEU
Atom CA of residue 29
Atom CA of residue 149
Atom O of residue 440
Atom CA of residue 71
Atom CG of residue 113
Atom CE of residue 498
Atom CA of residue 132
Atom CA of residue 523
Atom CA of residue 2655
Atom CA of residue 2670
Atom CA of residue 145
Atom CD1 of residue 89
LYS
Atom CA of residue 501
LYS
Atom N of residue 52
LEU
MET
LYS
Atom CA of residue 103
Atom OG1 of residue 65
GLY
Atom CG1 of residue 86
SER
Atom CA of residue 385
Atom C of residue 11
Atom CD of residue 530
DensityMap23
Atom CA of residue 474
Atom CA of residue 13
LEU
PHE
LYS
Atom CA of residue 56
Atom CA of residue 40
Atom CA of residue 62
Atom CA of residue 447
Atom CA of residue 83
Atom CA of residue 46
LEU
Atom CA of residue 64
ASN
Atom NE2 of residue 130
Atom CA of residue 97
Atom CA of residue 338
Atom C of residue 32
Atom C of residue 108
Atom CA of residue 402
Atom CA of residue 584
PRO
TRP
Atom CG1 of residue 119
Atom C of residue 135
GLU
Fit restraint
Atom CA of residue 105
GLY
SER
Atom O of residue 62
Atom CA of residue 507
Atom CB of residue 89
VAL
THR
Atom CA of residue 70
Atom CB of residue 574
LEU
Atom CA of residue 460
Atom CB of residue 440
Atom O of residue 535
Atom C of residue 555
LYS
Atom NE of residue 141
Atom CB of residue 30
ASP
Atom CA of residue 533
Atom CA of residue 150
Atom O of residue 33
SER
Atom CD1 of residue 113
Atom CA of residue 83
ILE
Atom C of residue 523
PRO
Chain B
Atom CG2 of residue 117
SER
Atom NE of residue 27
GLU
LYS
PHE
ARG
Atom O of residue 474
GLU
Atom CA of residue 90
Atom CA of residue 117
Atom CA of residue 67
VAL
Atom CA of residue 63
Atom CA of residue 133
Atom CA of residue 99
PHE
Atom CG1 of residue 136
CoarseCC1
Atom CA of residue 52
MET
Atom CA of residue 8
Atom NZ of residue 530
Atom CA of residue 178
SER
Atom O of residue 63
Atom CA of residue 559
Atom CB of residue 45
Atom CA of residue 20
Atom O of residue 103
Atom O of residue 136
ARG
Atom CA of residue 585
Atom N of residue 499
GLY
TRP
Atom C of residue 447
GLY
Atom CA of residue 76
Atom CB of residue 147
Atom CD of residue 33
SampledDensityMap14
Atom CA of residue 52
ALA
Atom CB of residue 62
Atom CA of residue 136
LEU
Atom N of residue 89
Atom CA of residue 121
Atom CA of residue 62
PRO
Atom CA of residue 339
Atom CA of residue 72
Atom CA of residue 153
GLU
Atom CA of residue 82
Atom CA of residue 327
LEU
Atom CA of residue 170
Atom C of residue 507
Atom CA of residue 452
Atom CA of residue 104
ARG
Atom C of residue 154
Atom CA of residue 82
Atom O of residue 135
Atom O of residue 32
GLY
Atom O of residue 108
Atom CG of residue 440
Atom CA of residue 42
Atom CA of residue 66
HIS
MET
Atom CA of residue 120
PHE
Atom CZ of residue 141
Atom CA of residue 30
Atom CD2 of residue 113
ALA
Atom CA of residue 103
Atom CG of residue 18
Atom CZ of residue 27
Atom N of residue 131
GLN
Atom CA of residue 358
Atom C of residue 67
Atom CA of residue 2650
1tdx.pdb
LEU
Atom CB of residue 136
Atom OG of residue 574
ALA
THR
Atom CB of residue 33
Atom CA of residue 2688
HIS
Atom CG2 of residue 65
GLU
Atom N of residue 118
SER
GLY
TYR
Atom CG2 of residue 86
Atom CA of residue 35
Atom CA of residue 72
Atom O of residue 523
Atom CA of residue 2656
Atom CA of residue 63
LEU
Atom CA of residue 2671
LEU
Atom CA of residue 21
Atom O of residue 555
Atom CB of residue 474
Atom CB of residue 45
LEU
THR
Atom CA of residue 369
LYS
Atom CG of residue 62
ALA
GLN
ILE
Atom CA of residue 104
PRO
GLY
Atom CB of residue 63
PRO
Atom C of residue 153
Atom CA of residue 87
Atom CG1 of residue 45
ALA
Atom CB of residue 103
LYS
Atom O of residue 507
Atom CG2 of residue 119
Atom CA of residue 63
Atom CA of residue 386
GLN
ARG
Atom O of residue 4
LEU
VAL
Atom O of residue 154
Atom CA of residue 41
Atom CA of residue 585
Atom CA of residue 104
Atom N of residue 531
Atom CA of residue 179
ASN
Atom CA of residue 65
Atom CA of residue 138
Atom CA of residue 106
Model 5
Atom CA of residue 151
Atom CA of residue 22
Atom CA of residue 403
Atom CB of residue 535
Atom O of residue 32
Atom CB of residue 32
Atom CA of residue 84
ALA
VAL
PRO
MET
MET
Atom O of residue 67
Atom CA of residue 41
LYS
Atom CG of residue 136
Atom CB of residue 135
ALA
Atom N of residue 90
ARG
Atom CB of residue 108
Atom N of residue 66
Atom CA of residue 340
ILE
Atom C of residue 46
Atom CB of residue 555
LEU
PRO
Atom N of residue 114
LEU
Atom CG of residue 30
TRP
Atom CG2 of residue 136
Atom CA of residue 118
ARG
Atom CA of residue 66
THR
Atom O of residue 447
Atom N of residue 120
Atom N of residue 87
THR
GLU
Atom O of residue 153
TYR
Atom CD1 of residue 440
Atom CA of residue 83
Atom CA of residue 534
Atom CG of residue 8
Atom CA of residue 586
ARG
Atom NH1 of residue 27
Atom CA of residue 81
GLY
Atom CA of residue 149
Atom CA of residue 84
Atom CA of residue 5
TYR
ALA
Atom CA of residue 53
LEU
LYS
Atom CA of residue 77
Atom CA of residue 499
Atom C of residue 17
GLN
ARG
Atom CA of residue 64
Atom CA of residue 100
ARG
ALA
Atom NH1 of residue 141
Atom CB of residue 67
Atom CA of residue 560
Atom CA of residue 56
Atom CA of residue 89
Atom CA of residue 171
TRP
Atom CA of residue 131
TYR
ALA
Atom CA of residue 33
Atom CG of residue 555
ALA
Atom CG of residue 474
LYS
ILE
Atom CA of residue 105
Atom N of residue 4
Atom CG2 of residue 108
LEU
THR
THR
Atom CG of residue 33
Atom CA of residue 83
Atom CG2 of residue 45
Atom CA of residue 105
Atom SD of residue 62
Atom CA of residue 63
Atom CB of residue 17
Atom CG of residue 63
Atom CD of residue 30
LEU
Atom CB of residue 447
Atom CD1 of residue 136
Atom CA of residue 329
Atom CA of residue 31
PHE
Atom CG1 of residue 45
GLU
PRO
Atom CB of residue 153
LEU
Atom CA of residue 43
Atom OD1 of residue 136
Atom CB of residue 523
ALA
Atom CD of residue 17
Atom CA of residue 180
PRO
Atom CA of residue 499
Atom CA of residue 359
Atom O of residue 46
Atom CA of residue 42
GLU
ASN
GLN
Atom CB of residue 507
Atom NH2 of residue 27
Atom CA of residue 36
ARG
Atom CA of residue 73
PRO
Atom CA of residue 67
Atom CG of residue 535
Atom C of residue 52
Atom C of residue 499
Atom CA of residue 370
LYS
Atom CA of residue 64
GLU
Atom CA of residue 341
Atom CA of residue 531
Atom NH2 of residue 141
LYS
Atom CA of residue 88
Atom CD2 of residue 440
LEU
Atom C of residue 89
ASP
Atom CA of residue 452
Atom CA of residue 65
Atom CA of residue 6
Atom CA of residue 2652
Atom CG of residue 103
Atom CA of residue 139
ARG
Atom CA of residue 2657
Atom CA of residue 118
GLY
Atom CA of residue 2672
GLU
LEU
Atom C of residue 33
Atom CD1 of residue 474
Atom CB of residue 154
Atom CG of residue 17
Atom CA of residue 2689
Atom CA of residue 105
Atom CA of residue 387
Atom CA of residue 41
Atom N of residue 46
ARG
TYR
Atom CA of residue 38
Atom CE of residue 30
Atom CA of residue 42
Atom CG of residue 447
LEU
Atom C of residue 131
Atom CG2 of residue 45
ARG
Atom CA of residue 404
PHE
Atom CG of residue 135
Atom CD2 of residue 555
Atom CA of residue 147
PRO
GLU
GLY
P2
Atom CA of residue 586
Atom CA of residue 66
LYS
Atom C of residue 90
Atom OG1 of residue 108
Atom CE of residue 62
ALA
Atom CA of residue 107
Atom CB of residue 46
PRO
Atom CD1 of residue 535
Atom OD2 of residue 136
Atom OD1 of residue 33
GLU
GLU
Atom N of residue 137
Atom N of residue 6
Atom CA of residue 119
PRO
CYS
Chain B
SER
GLY
Atom CD1 of residue 437
PHE
Atom O of residue 52
Atom CA of residue 84
Atom CA of residue 535
Atom O of residue 89
Atom CG of residue 507
Atom N of residue 28
TYR
Atom CA of residue 150
Atom CA of residue 2653
Atom CA of residue 85
Atom CD1 of residue 103
HIS
LYS
ILE
PHE
ASP
Atom CG of residue 67
Atom CA of residue 119
Atom CA of residue 114
Atom O of residue 499
Atom CA of residue 181
PRO
Atom CA of residue 17
P0
Atom CG of residue 523
LEU
Atom CA of residue 101
Atom CD1 of residue 555
Atom CA of residue 457
Atom CA of residue 131
Atom CA of residue 43
Atom CA of residue 587
PHE
Atom CA of residue 172
VAL
Atom CE of residue 530
Atom CG of residue 154
Atom CD1 of residue 63
Atom CA of residue 40
PRO
Atom CD1 of residue 45
LEU
Atom CA of residue 82
Atom CA of residue 78
Atom CA of residue 39
Atom CD1 of residue 135
Atom O of residue 33
Atom CD2 of residue 474
ARG
Atom CA of residue 342
Atom N of residue 53
LYS
Atom CG of residue 153
Atom CA of residue 46
ILE
Atom CA of residue 108
Atom OE1 of residue 17
Atom CA of residue 63
Atom CA of residue 64
ILE
Atom CA of residue 106
Atom NZ of residue 30
Atom CA of residue 57
LEU
Atom CA of residue 447
Atom CA of residue 84
Atom CA of residue 38
LEU
Atom CA of residue 87
Atom CA of residue 37
LYS
Atom O of residue 131
ILE
Atom CB of residue 89
Atom CD2 of residue 437
GLN
ALA
Atom CA of residue 32
Atom C of residue 66
Atom CD of residue 17
Atom CA of residue 85
Atom CA of residue 153
ALA
Atom N of residue 47
Atom CA of residue 74
AccumulateRigidBodyDerivatives17
ASP
Atom CD2 of residue 103
Atom CD2 of residue 535
Atom N of residue 142
LEU
Atom CA of residue 360
TYR
Atom C of residue 114
Atom CA of residue 64
Atom CD1 of residue 447
Atom CA of residue 2690
Atom CA of residue 467
Atom CD1 of residue 523
LEU
Atom CA of residue 330
SampledDensityMap5
GLN
VAL
THR
Atom CA of residue 65
ASP
Atom CD2 of residue 63
LEU
ALA
Atom CA of residue 2658
ASN
Atom C of residue 120
Atom N of residue 109
Atom CA of residue 2674
ARG
Atom CA of residue 461
SER
TYR
Atom OD2 of residue 33
Atom CA of residue 371
THR
Atom CA of residue 450
LYS
PRO
python stream
Atom CA of residue 89
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.mrc
LEU
THR
Atom CA of residue 130
Atom O of residue 90
Atom CA of residue 388
Atom CE1 of residue 440
Atom CD1 of residue 507
Atom CA of residue 182
Atom C of residue 87
Atom CD2 of residue 135
PHE
Atom N of residue 475
Atom CA of residue 148
Atom CE1 of residue 437
Atom OD1 of residue 67
ARG
VAL
Atom CA of residue 46
Atom CA of residue 587
Atom CA of residue 106
LEU
Atom CA of residue 405
Atom OE2 of residue 17
Atom O of residue 147
LYS
Atom CA of residue 108
LYS
Atom NE1 of residue 103
GLN
GLU
Atom CA of residue 137
Atom CA of residue 40
Atom CA of residue 109
PRO
Atom CA of residue 120
Atom CA of residue 343
ALA
Atom C of residue 118
GLU
Atom CB of residue 131
PRO
Atom CA of residue 5
GLN
Atom CA of residue 39
Atom CB of residue 499
Atom CA of residue 502
Atom NE of residue 17
Atom CA of residue 86
Atom CA of residue 43
LEU
Atom N of residue 64
Atom CA of residue 151
Atom CD of residue 153
ALA
Atom N of residue 536
Atom N of residue 63
CoarseCC3
Atom O of residue 114
LYS
Atom CA of residue 29
ASP
Atom CD of residue 154
Atom CA of residue 2675
LEU
HIS
Atom CD2 of residue 523
GLY
Atom CB of residue 90
Atom N of residue 46
Atom C of residue 17
PHE
ALA
SER
Atom CA of residue 137
GLY
Atom CA of residue 536
Atom CA of residue 2629
Atom O of residue 66
Atom CA of residue 173
Atom CA of residue 72
ALA
Atom C of residue 447
Atom CD2 of residue 570
Atom CA of residue 53
Atom CD2 of residue 507
ILE
Atom O of residue 87
Atom CA of residue 79
ARG
Atom CA of residue 90
Atom CA of residue 43
Atom CA of residue 2654
Model 46
PRO
ASN
Atom C of residue 570
Atom CA of residue 142
Atom CG of residue 6
SER
ALA
Atom CD2 of residue 447
Atom CA of residue 102
Atom CG1 of residue 89
Atom O of residue 118
ILE
Atom CA of residue 88
VAL
LEU
Atom CA of residue 28
Atom CA of residue 463
Atom N of residue 136
Atom CA of residue 468
HIS
THR
Atom CA of residue 475
Atom N of residue 556
ASP
ASP
Atom CA of residue 85
Atom CA of residue 38
Atom CA of residue 154
Atom CA of residue 60
Atom CA of residue 65
Atom N of residue 34
GLN
Atom CE2 of residue 440
Atom CA of residue 45
Atom CA of residue 75
LEU
Atom CA of residue 47
Atom CA of residue 328
Atom CA of residue 183
Atom OD2 of residue 67
ILE
PHE
Atom CE of residue 154
Atom CE2 of residue 437
Atom C of residue 137
PRO
Atom CG1 of residue 90
Atom O of residue 120
Atom CA of residue 361
Atom CE of residue 153
Atom CA of residue 110
Atom O of residue 17
Atom O of residue 17
Atom CA of residue 107
Atom CB of residue 87
Atom CA of residue 2691
TYR
SER
ASP
PHE
CYS
Atom CA of residue 41
Atom CA of residue 87
Atom CA of residue 65
Atom CA of residue 536
PRO
Atom CA of residue 344
Atom CB of residue 114
Atom CA of residue 101
Atom CA of residue 33
Atom CB of residue 118
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom CA of residue 372
Atom N of residue 524
Atom N of residue 132
Atom CA of residue 451
LEU
Atom N of residue 148
THR
Atom CG of residue 499
Atom CA of residue 49
ALA
VAL
Atom CA of residue 90
GLY
Atom CB of residue 66
Atom CA of residue 2659
MET
Atom C of residue 28
Atom CA of residue 146
LEU
Atom CA of residue 567
LYS
normalize rigid bodies
ALA
Atom CA of residue 389
ASP
Atom C of residue 142
Atom O of residue 12
ALA
Atom CA of residue 107
LYS
Atom CZ of residue 17
Atom N of residue 68
Atom CA of residue 47
Atom CA of residue 44
Atom CA of residue 89
VAL
LEU
Atom CB of residue 17
GLY
LYS
Atom CA of residue 44
LEU
TYR
GLY
Atom CZ of residue 440
ILE
Atom C of residue 46
GLY
Atom NZ of residue 153
Atom CA of residue 406
Atom CA of residue 121
ILE
PHE
Atom CA of residue 2630
ASP
Atom CG of residue 87
Atom CA of residue 138
Atom CA of residue 44
LEU
Atom CA of residue 109
Atom CA of residue 109
SER
Atom CA of residue 64
Atom CA of residue 152
Atom C of residue 53
Atom CE1 of residue 507
Atom CG2 of residue 89
Atom CA of residue 69
Atom CE2 of residue 103
TYR
Atom C of residue 49
Atom CB of residue 17
ARG
Atom O of residue 137
Atom CA of residue 76
Atom CA of residue 2651
Atom CA of residue 48
Atom CA of residue 73
Atom CB of residue 120
Atom C of residue 47
Atom CD of residue 499
Atom CA of residue 503
Atom CA of residue 462
LYS
Atom CA of residue 537
Atom CA of residue 174
Atom CA of residue 184
Atom CB of residue 149
PRO
MET
CYS
Atom O of residue 28
ASP
Atom CA of residue 106
Atom C of residue 63
ILE
Atom CA of residue 40
GLY
ALA
Atom CA of residue 524
Atom CB of residue 12
Atom C of residue 475
Atom N of residue 448
Atom CA of residue 103
Atom NZ of residue 154
Atom C of residue 21
Atom CZ of residue 437
VAL
Atom CA of residue 454
Atom N of residue 441
Atom CA of residue 42
Atom O of residue 46
Atom CA of residue 345
TYR
ILE
TYR
ASN
Atom CA of residue 80
Atom CA of residue 91
Atom CA of residue 469
Atom CA of residue 83
TYR
Atom O of residue 142
Atom CA of residue 136
Atom CA of residue 108
TYR
Atom O of residue 49
THR
Atom CA of residue 155
LEU
Atom CA of residue 66
ILE
Atom CG2 of residue 90
ALA
Atom CA of residue 46
Atom CA of residue 556
Atom CG of residue 66
Atom CG of residue 40
Atom CA of residue 39
Atom CA of residue 154
Atom CA of residue 133
Atom CE3 of residue 103
Atom C of residue 536
SER
Atom CA of residue 174
Atom CA of residue 34
GLU
Atom CA of residue 2631
PRO
Atom NH1 of residue 17
Atom C of residue 109
SER
Atom O of residue 47
LEU
ALA
PRO
ASN
GLU
ASN
ARG
Atom CG of residue 118
ILE
PRO
ASP
Atom CA of residue 135
Atom CA of residue 362
Atom C of residue 64
TYR
LYS
Atom CG of residue 17
Atom CA of residue 86
Atom CB of residue 570
ARG
Atom CA of residue 2692
Atom CG of residue 17
Atom CA of residue 2630
Atom CB of residue 137
Atom CG of residue 114
Atom CB of residue 46
GLY
Atom CA of residue 409
Atom OE1 of residue 499
LYS
Atom CD1 of residue 89
PRO
Atom CB of residue 49
LEU
Atom CD1 of residue 87
Atom CG of residue 149
UpdateRigidBodyMembers17
Atom CA of residue 2660
PRO
Atom CB of residue 28
Atom CA of residue 455
TYR
THR
normalize rigid bodies
VAL
Atom CA of residue 2
Atom CA of residue 102
Atom CA of residue 34
Atom CD1 of residue 90
Atom CG of residue 120
Atom O of residue 568
Atom CA of residue 458
Atom CA of residue 373
Atom CA of residue 31
Atom O of residue 475
Atom N of residue 438
Atom O of residue 53
LYS
PHE
Atom CA of residue 390
Atom CA of residue 185
Atom CA of residue 139
Atom CA of residue 91
Atom C of residue 556
Atom CA of residue 58
TYR
Atom CD of residue 66
Atom CE2 of residue 507
Atom CB of residue 47
THR
Atom CZ2 of residue 103
Atom CA of residue 45
Atom CA of residue 122
Atom C of residue 34
Atom CA of residue 107
PHE
Atom N of residue 155
Atom NH2 of residue 17
VAL
PRO
CYS
Atom CA of residue 132
Atom C of residue 136
Atom CA of residue 108
THR
THR
Atom CA of residue 43
Atom CA of residue 68
Atom CB of residue 142
VAL
Atom CA of residue 110
VAL
Atom CA of residue 153
ALA
Atom CA of residue 6
Atom O of residue 109
Atom NE of residue 577
Atom O of residue 536
Atom CB of residue 7
Atom N of residue 90
Atom CA of residue 2673
ALA
Atom N of residue 154
Atom CD1 of residue 114
VAL
Atom N of residue 47
Atom CA of residue 74
LEU
Atom CB of residue 39
Atom CA of residue 504
Atom C of residue 524
Atom O of residue 63
GLY
Atom CA of residue 2632
Atom CA of residue 135
LEU
Atom CA of residue 175
LYS
Atom CA of residue 464
Atom CA of residue 346
GLY
ALA
Atom CB of residue 53
ALA
ASP
VAL
Atom CA of residue 136
Atom CA of residue 68
TYR
ARG
GLU
Atom CA of residue 87
LEU
Atom NE2 of residue 499
ALA
GLN
THR
Atom CA of residue 538
Atom CA of residue 31
Atom O of residue 556
Atom CD of residue 118
Atom CD2 of residue 87
Atom O of residue 64
GLU
Atom CG1 of residue 117
LEU
GLU
ALA
Atom O of residue 34
Atom CA of residue 81
Atom CA of residue 441
Atom CA of residue 92
Atom CG of residue 39
Atom CA of residue 470
SER
ASN
Atom CD1 of residue 120
Atom N of residue 18
PHE
Atom CA of residue 475
ALA
Atom C of residue 132
Atom CA of residue 2631
THR
Atom CB of residue 475
Atom N of residue 22
Atom CA of residue 104
Atom CZ of residue 577
Atom CA of residue 156
LYS
Atom CA of residue 459
Atom CA of residue 87
ASP
Atom N of residue 67
Atom CA of residue 109
Atom CA of residue 456
Atom C of residue 68
Atom CZ3 of residue 103
Atom CB of residue 63
Atom N of residue 29
LYS
Atom CD2 of residue 114
GLY
LYS
LYS
PHE
Atom CA of residue 40
Atom O of residue 136
Atom CA of residue 32
Atom CA of residue 175
LYS
Atom CA of residue 186
LEU
Atom N of residue 50
Atom CD of residue 17
Atom CA of residue 67
VAL
Atom CA of residue 47
ILE
Atom CB of residue 109
Atom CG of residue 53
Atom CB of residue 536
SER
TYR
THR
PRO
Atom O of residue 149
Atom CA of residue 363
Atom CA of residue 132
Atom CA of residue 47
Atom CA of residue 375
Atom C of residue 117
ASP
ALA
Atom CA of residue 2693
Atom CG of residue 137
Atom CA of residue 460
Atom CA of residue 44
ARG
Atom O of residue 524
VAL
Atom N of residue 35
LEU
Atom CG1 of residue 142
PRO
Atom CE2 of residue 87
Atom CA of residue 86
Atom O of residue 5
Model 1
Atom O of residue 68
Atom CD of residue 39
VAL
Atom CA of residue 103
Atom CA of residue 35
LYS
ARG
Atom CA of residue 32
Atom CA of residue 527
ILE
ALA
Atom CE of residue 118
VAL
Atom CA of residue 500
PRO
Atom CA of residue 137
Atom CA of residue 140
GLY
Atom CA of residue 92
VAL
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
ASN
Atom CA of residue 88
Atom CB of residue 64
GLU
Atom CA of residue 445
Atom CG of residue 63
Atom CA of residue 123
Atom CA of residue 391
HIS
Atom C of residue 23
Atom CD2 of residue 120
Atom CG of residue 47
Atom O of residue 132
Atom CA of residue 46
Atom CA of residue 109
Atom CA of residue 10
ARG
Atom CA of residue 50
Atom OE1 of residue 17
Atom CA of residue 59
GLU
Atom CA of residue 136
Atom CA of residue 156
GLU
Atom CA of residue 154
GLY
ASN
THR
Atom C of residue 448
Atom N of residue 91
ASP
VAL
Atom CH2 of residue 103
Atom N of residue 115
TYR
Atom CA of residue 138
Atom CA of residue 75
ILE
Atom CD1 of residue 137
Atom C of residue 441
Atom CA of residue 438
GLY
Atom CB of residue 68
Atom CB of residue 556
Atom CA of residue 111
Atom CA of residue 176
Atom CA of residue 155
Atom N of residue 40
GLU
PRO
Atom NZ of residue 118
GLN
Atom CG1 of residue 109
TYR
Atom CA of residue 52
Atom CA of residue 347
Atom CA of residue 187
Atom CA of residue 505
Atom CB of residue 524
Atom CA of residue 33
LEU
PRO
Atom CA of residue 35
ASN
Atom CA of residue 456
Atom CG2 of residue 142
TRP
Atom CB of residue 136
LEU
Atom CA of residue 539
ILE
GLY
ASP
Atom CA of residue 2629
PRO
Atom CG2 of residue 148
Atom C of residue 154
Atom O of residue 117
Atom CA of residue 471
ASP
Atom CA of residue 101
ARG
VAL
Atom CA of residue 45
GLY
Atom CA of residue 105
GLY
python stream rigid body
Atom CA of residue 564
Atom CA of residue 23
Atom C of residue 47
Atom OE2 of residue 17
Atom CG of residue 475
Atom CA of residue 18
ALA
LYS
Atom CA of residue 67
Atom CA of residue 90
Atom C of residue 155
LYS
Atom CG of residue 64
ASP
ILE
PRO
Atom C of residue 438
Atom CE1 of residue 87
Atom CA of residue 82
Atom CA of residue 93
Atom CA of residue 376
Atom CA of residue 2630
CYS
Atom O of residue 23
Atom CA of residue 110
Atom N of residue 121
Atom CA of residue 87
Atom CD2 of residue 137
Atom CD1 of residue 53
SER
Atom CB of residue 132
LYS
ARG
THR
Atom N of residue 500
Atom CA of residue 68
ILE
GLN
VAL
Atom CA of residue 41
Atom NH1 of residue 577
Atom CA of residue 48
Atom CA of residue 446
Atom CG of residue 136
Atom CA of residue 176
PRO
THR
ASP
Atom CA of residue 129
ILE
ALA
ALA
Atom CD of residue 47
Atom CG of residue 536
Atom CA of residue 33
Atom CD1 of residue 63
Atom CA of residue 69
SER
Atom CA of residue 364
Atom CA of residue 456
Atom N of residue 557
PRO
PHE
Atom CB of residue 5
THR
Atom CA of residue 119
Atom CA of residue 2
SER
Atom N of residue 135
HIS
Atom O of residue 448
Atom CA of residue 29
Atom O of residue 154
MapReaderWriter4
LEU
GLY
Atom CA of residue 36
ASN
Atom CD of residue 475
Atom CA of residue 141
GLN
Atom CG2 of residue 109
Atom O of residue 441
Chain D
SER
Atom CA of residue 124
Atom C of residue 147
Atom N of residue 149
SER
Atom CA of residue 565
CYS
Atom CA of residue 104
Atom CA of residue 101
Atom CA of residue 188
LEU
Atom CA of residue 53
Atom CA of residue 528
Atom CA of residue 392
Atom CG of residue 68
LYS
Atom O of residue 47
GLY
Atom O of residue 438
Atom CA of residue 157
Atom CA of residue 155
Atom CA of residue 93
Atom NH2 of residue 577
Atom CA of residue 40
LEU
ALA
Atom OD1 of residue 136
Atom CA of residue 84
Atom CA of residue 47
Atom CA of residue 91
Atom O of residue 155
SER
Atom N of residue 18
LEU
ASP
Atom CA of residue 46
Atom CD1 of residue 536
Atom CA of residue 76
LYS
VAL
Atom CE1 of residue 137
LYS
Atom CG of residue 132
LYS
Atom CA of residue 110
Atom CA of residue 130
Atom CA of residue 131
Atom NE of residue 47
Chain D
Atom CA of residue 112
Atom CA of residue 177
Atom CB of residue 448
Chain A
Atom N of residue 143
ALA
LYS
Atom C of residue 18
GLU
Atom O of residue 447
VAL
Atom CB of residue 441
Atom CA of residue 457
Atom CA of residue 408
Atom N of residue 104
Atom C of residue 67
Atom C of residue 29
ARG
ARG
Atom N of residue 24
Atom CA of residue 493
Atom CA of residue 78
THR
Atom CA of residue 115
Atom CA of residue 506
Atom CE of residue 475
Atom CA of residue 92
ARG
Atom CD2 of residue 53
GLY
Atom CG of residue 524
Atom C of residue 62
Atom CA of residue 348
Atom CA of residue 67
ConjugateGradients
SER
ASN
ARG
Atom CA of residue 472
TYR
Atom N of residue 119
LYS
Atom CD1 of residue 155
Atom C of residue 500
Atom CD2 of residue 63
PRO
PHE
CYS
Atom CB of residue 92
Atom C of residue 4
Atom CA of residue 540
LYS
Atom CA of residue 394
Atom CD1 of residue 109
LEU
PRO
Atom CA of residue 83
Atom CD1 of residue 64
Atom CA of residue 94
Atom CD2 of residue 536
LYS
Atom CB of residue 438
PRO
Atom CA of residue 24
Atom C of residue 40
LYS
Atom CA of residue 106
Atom CB of residue 447
ASP
Atom CZ of residue 47
Atom CA of residue 69
Atom CA of residue 132
ILE
Atom CA of residue 111
LEU
Atom CA of residue 88
PHE
ILE
Atom CA of residue 447
GLU
Atom OD2 of residue 136
Atom C of residue 91
Atom CG of residue 441
ARG
Atom CD of residue 132
Atom O of residue 29
Atom CA of residue 189
Atom C of residue 42
Atom CA of residue 42
Atom C of residue 50
Atom O of residue 62
Atom CA of residue 177
Atom CA of residue 85
ILE
Atom CA of residue 494
TYR
Atom C of residue 115
VAL
GLN
VAL
LEU
Atom CD of residue 524
Atom CA of residue 34
Atom CG of residue 448
Atom CD1 of residue 68
Atom N of residue 578
Atom CA of residue 49
Atom CG of residue 92
PHE
Atom CA of residue 365
Atom O of residue 40
Atom CA of residue 47
SER
ALA
Atom CD of residue 14
Atom O of residue 67
GLU
VAL
Atom CB of residue 154
Atom CA of residue 68
GLY
Atom CA of residue 113
GLU
Atom CA of residue 121
Atom CA of residue 458
Atom NZ of residue 475
Atom CA of residue 142
Atom NE of residue 147
Atom CA of residue 44
MET
Atom CA of residue 455
LEU
Atom C of residue 35
THR
Model 8
Atom CA of residue 33
Atom CA of residue 125
Atom CD2 of residue 64
Atom CE1 of residue 536
Atom CA of residue 105
GLN
Atom CG of residue 438
Atom CA of residue 529
LYS
Atom O of residue 18
Atom CG of residue 447
Atom N of residue 54
Atom O of residue 500
ALA
TYR
d1q3sa1.pdb
Atom CA of residue 156
Atom CA of residue 94
LEU
Atom CB of residue 40
ASN
Atom CA of residue 143
Atom N of residue 110
Atom CA of residue 34
ALA
Atom CA of residue 104
ASN
Atom CA of residue 102
Atom CA of residue 77
Atom CA of residue 562
Atom CA of residue 374
Atom CA of residue 18
Atom CA of residue 557
Atom CA of residue 111
Atom C of residue 121
LYS
Atom CE2 of residue 137
Atom CE of residue 524
Atom CE of residue 14
Atom CA of residue 178
PRO
PHE
Atom CB of residue 12
HIS
LYS
Atom CA of residue 396
Atom CA of residue 448
Atom CA of residue 3
Atom CA of residue 2662
Atom O of residue 91
GLN
Atom OE1 of residue 132
ALA
Atom CB of residue 29
Atom O of residue 42
ILE
Atom OE1 of residue 32
ASP
ALA
Atom OG1 of residue 40
Atom CA of residue 22
Atom O of residue 115
Atom O of residue 50
Atom CA of residue 133
Atom CA of residue 93
Atom CB of residue 18
VAL
HIS
ILE
GLY
Atom CA of residue 48
Atom CA of residue 113
Atom O of residue 35
Atom CD2 of residue 155
Atom CA of residue 517
Atom CG of residue 154
GLY
ILE
Atom CA of residue 190
Atom CA of residue 361
Atom CE1 of residue 64
LEU
Atom CA of residue 473
Atom CB of residue 67
Atom CA of residue 349
GLN
Atom CD of residue 96
Atom CA of residue 24
VAL
Atom CA of residue 507
Atom N of residue 64
GLN
ALA
ALA
LEU
Atom C of residue 143
PRO
Atom CA of residue 541
LYS
Atom CA of residue 48
Atom C of residue 104
VAL
Atom CA of residue 2661
Atom CD of residue 448
Atom CA of residue 114
Atom CA of residue 6
LYS
ASP
PHE
LEU
Atom CD of residue 441
Atom CA of residue 21
SER
Atom C of residue 557
Atom CA of residue 107
Atom CZ of residue 137
Atom CB of residue 500
Atom CA of residue 57
ARG
GLY
ALA
Atom OE1 of residue 12
Atom CA of residue 76
Atom CG of residue 567
Atom CA of residue 98
Atom N of residue 51
GLN
ALA
Atom CB of residue 119
Atom CA of residue 89
Atom CA of residue 84
Atom CA of residue 95
ASN
P1
Atom CD1 of residue 92
Atom NZ of residue 14
LYS
Atom CB of residue 42
SampledDensityMap37
Atom N of residue 92
Atom O of residue 121
Atom CA of residue 43
Atom CD2 of residue 68
PRO
Atom NZ of residue 524
Atom CA of residue 178
Atom CA of residue 452
LEU
Atom CA of residue 395
Atom CA of residue 75
Atom NH1 of residue 47
ASN
GLY
VAL
ILE
PRO
python stream rigid body rigid body positions
Atom CA of residue 35
Atom OE2 of residue 132
LEU
PHE
Atom CA of residue 157
CYS
Atom CA of residue 495
Atom CD1 of residue 438
Atom CA of residue 578
Atom CE of residue 96
LEU
Atom CA of residue 462
Atom CA of residue 441
Atom CA of residue 366
SER
Atom CG2 of residue 40
Atom N of residue 116
Atom CG of residue 570
PHE
THR
Atom CA of residue 112
Atom CA of residue 143
Chain A
ILE
Atom C of residue 18
Atom N of residue 476
Atom CB of residue 14
Atom CE1 of residue 155
Atom CD1 of residue 447
Atom CA of residue 126
CYS
Atom O of residue 76
Atom CA of residue 19
Atom CG of residue 29
Atom CA of residue 110
Atom CE1 of residue 68
ILE
Atom O of residue 557
SER
ALA
ASP
Atom CB of residue 35
Atom OH of residue 137
Atom CA of residue 115
Atom CA of residue 7
LEU
Atom CA of residue 397
Atom O of residue 143
Atom NE of residue 448
ASP
Atom CA of residue 518
Atom CA of residue 191
Atom CA of residue 54
GLU
python stream rigid body
Atom O of residue 104
THR
ASP
Atom CA of residue 71
ASP
Atom CB of residue 121
LEU
SER
Atom CA of residue 106
Atom CA of residue 103
Atom OG1 of residue 67
Atom CA of residue 78
CYS
Atom N of residue 442
Atom CE2 of residue 536
Atom CA of residue 530
LEU
VAL
Atom CA of residue 49
Atom CA of residue 179
Atom CA of residue 95
Atom NH2 of residue 47
Atom C of residue 578
Atom NZ of residue 96
Atom CA of residue 49
ASN
Atom CE2 of residue 64
ASP
ASP
ILE
GLU
Atom CD of residue 154
MET
ASN
Atom N of residue 41
Atom CD2 of residue 92
Atom CA of residue 21
LEU
Atom CG of residue 42
Atom CA of residue 58
Atom CA of residue 112
GLN
GLU
THR
Atom CA of residue 149
Atom CA of residue 517
Atom CA of residue 463
Atom CA of residue 114
ALA
VAL
Atom CG of residue 14
ARG
Atom OE2 of residue 32
Atom CB of residue 557
GLN
Atom OG1 of residue 35
Atom CG1 of residue 119
Atom C of residue 457
ARG
GLY
HIS
Atom CA of residue 141
GLU
Atom CA of residue 362
Atom CA of residue 116
ASN
Atom CA of residue 508
GLY
Atom CA of residue 64
Atom CA of residue 94
Atom CA of residue 350
Atom CG of residue 121
Atom OE2 of residue 12
Atom CA of residue 104
Atom CZ of residue 448
Atom CA of residue 19
AccumulateRigidBodyDerivatives12
LYS
Atom CG of residue 570
MET
ALA
Atom N of residue 15
PHE
Atom CG2 of residue 67
Atom CA of residue 442
Atom CZ of residue 536
ARG
Atom CA of residue 465
LYS
Atom CA of residue 72
Atom CA of residue 92
Atom CD2 of residue 438
Atom N of residue 138
LYS
SER
Atom CG of residue 500
ALA
Atom CB of residue 143
Atom CA of residue 71
Atom CA of residue 542
TRP
Atom C of residue 110
Atom CZ of residue 64
Atom C of residue 54
Atom O of residue 578
VAL
Atom CA of residue 99
Atom CB of residue 104
Atom O of residue 18
Atom CD2 of residue 447
Atom CA of residue 85
Atom CE of residue 154
Atom CA of residue 96
P2
Atom CA of residue 93
SER
Atom CA of residue 76
Atom CA of residue 51
ILE
Atom CA of residue 108
MET
Atom CA of residue 113
Atom CA of residue 90
Atom CA of residue 29
Atom CA of residue 476
GLU
Atom NZ of residue 14
Atom CA of residue 192
Atom O of residue 115
Atom N of residue 525
Atom CB of residue 155
LYS
Atom CA of residue 77
Atom CA of residue 44
Atom CA of residue 15
Atom CA of residue 150
Atom CA of residue 179
TRP
Atom CA of residue 497
DensityMap3
Atom CA of residue 142
LEU
Atom CD of residue 29
Atom CA of residue 73
Atom C of residue 64
LEU
Atom N of residue 13
MapReaderWriter10
Atom CE of residue 76
ILE
Atom CA of residue 50
Atom CA of residue 450
Atom CA of residue 485
Atom CA of residue 367
PHE
Atom N of residue 48
ALA
LYS
Atom C of residue 92
Atom CA of residue 127
GLY
ASN
THR
Atom OH of residue 536
Atom CA of residue 192
Atom O of residue 457
Atom CA of residue 59
Atom CA of residue 79
GLY
SER
Atom CB of residue 578
Atom CB of residue 18
GLU
Atom CD of residue 42
Atom N of residue 97
Atom C of residue 41
Atom CD of residue 500
Atom N of residue 33
ALA
Atom CA of residue 518
LEU
Atom CA of residue 100
PRO
Atom CA of residue 12
Atom CA of residue 398
Atom CA of residue 107
Atom N of residue 133
Atom N of residue 68
Atom CG2 of residue 35
Atom CG2 of residue 119
LYS
GLY
Atom N of residue 93
PRO
ASP
Atom CA of residue 531
SER
ASP
Atom CD of residue 121
Atom N of residue 19
Atom O of residue 110
CYS
Atom CE2 of residue 68
ARG
Atom CA of residue 11
Fit restraint
created density map
Atom C of residue 476
Atom CA of residue 180
VAL
Atom CA of residue 96
P1
ILE
Atom CA of residue 32
SER
Atom CA of residue 70
Atom CA of residue 105
Atom O of residue 54
Atom CA of residue 62
Atom CA of residue 50
Atom OG of residue 568
Atom CG of residue 557
Atom CA of residue 104
Atom NE of residue 29
Atom CA of residue 74
ASN
Atom CG of residue 32
Atom O of residue 64
NormalizeRotation0
Atom CA of residue 113
Atom CA of residue 393
LEU
Atom CA of residue 443
Atom CA of residue 476
TRP
Atom C of residue 116
THR
Atom N of residue 439
MET
Atom CB of residue 457
ASP
Atom N of residue 448
Atom O of residue 12
Atom CG of residue 104
SampledDensityMap12
Atom O of residue 92
GLY
GLU
Atom CA of residue 80
Atom NZ of residue 154
Atom CA of residue 15
Atom CG of residue 18
ARG
Atom N of residue 8
Atom CA of residue 95
Atom CA of residue 193
LYS
VAL
Atom CE of residue 500
Atom C of residue 51
MET
Atom CA of residue 115
Atom CG of residue 155
Atom CA of residue 363
ASP
Atom CA of residue 151
Atom NH1 of residue 448
Atom CA of residue 351
ALA
Atom CA of residue 475
Atom N of residue 65
Atom CA of residue 77
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/three_particles_in.em
Atom N of residue 537
ASP
HIS
Atom CA of residue 466
VAL
Atom CA of residue 138
Atom CB of residue 54
Atom CA of residue 51
ALA
Atom CA of residue 509
VAL
PRO
Atom OE1 of residue 42
Atom CZ of residue 68
Atom CA of residue 525
ILE
Atom CA of residue 543
Atom CG of residue 143
Atom CB of residue 64
ALA
Atom CA of residue 496
Atom CA of residue 19
ARG
GLY
Atom N of residue 36
Atom CZ of residue 29
ILE
ALA
GLU
DensityMap4
Atom CA of residue 85
Atom CA of residue 109
Atom CE of residue 121
Atom CB of residue 110
Atom CA of residue 444
VAL
Atom CA of residue 7
Atom CG of residue 19
GLN
Atom O of residue 476
ALA
Atom C of residue 442
Atom CG1 of residue 457
Atom N of residue 15
THR
Atom CA of residue 114
Atom O of residue 453
Atom CA of residue 41
Atom CD of residue 104
LEU
Atom CA of residue 97
Atom CA of residue 86
Atom CA of residue 97
ASP
UpdateRigidBodyMembers3
Atom CA of residue 45
Atom C of residue 567
Atom CG of residue 578
Atom CA of residue 180
SER
Atom CA of residue 17
Atom CA of residue 14
Atom CG1 of residue 54
Atom CA of residue 79
Atom CA of residue 97
Atom O of residue 116
GLY
Atom CA of residue 486
ALA
Atom CE2 of residue 82
ASP
Atom CA of residue 63
Atom NH2 of residue 448
Atom CA of residue 128
VAL
Atom CA of residue 133
ARG
SER
Atom CA of residue 368
SER
LYS
Atom CA of residue 48
Atom C of residue 93
LYS
PRO
Atom CA of residue 91
SER
ILE
Atom CD of residue 557
Atom O of residue 41
Atom NZ of residue 500
Atom C of residue 525
Atom CA of residue 193
Atom OE2 of residue 42
Atom CD of residue 143
Atom CA of residue 18
Atom CA of residue 68
Atom CA of residue 36
Atom C of residue 119
PHE
Atom N of residue 155
ALA
GLY
ASN
PRO
Atom C of residue 118
Atom CA of residue 122
Atom CA of residue 194
Atom CA of residue 477
Atom CA of residue 399
Atom CD of residue 19
ALA
PHE
Atom CA of residue 64
Atom CA of residue 181
Atom C of residue 138
Atom OH of residue 68
Atom CA of residue 98
Atom CA of residue 152
Atom CD1 of residue 18
ASN
ILE
Atom CB of residue 453
ASP
ASN
LEU
Atom O of residue 51
Atom CA of residue 108
Atom CA of residue 105
AccumulateRigidBodyDerivatives3
Atom CA of residue 82
Atom C of residue 32
PRO
P2
Atom CB of residue 41
Atom CA of residue 52
Atom CA of residue 532
Atom CA of residue 51
GLU
VAL
Atom CB of residue 476
Atom CZ of residue 82
Atom CA of residue 75
Atom CA of residue 13
LEU
Atom O of residue 442
Atom C of residue 48
Atom CA of residue 33
THR
PRO
Atom CA of residue 19
TYR
ASN
Atom CA of residue 66
Atom NE of residue 104
ConjugateGradients
Atom C of residue 133
Atom CB of residue 92
PHE
Atom CA of residue 439
Atom CA of residue 65
GLN
Atom CA of residue 7
Atom CA of residue 28
LEU
PRO
ALA
Atom CA of residue 114
Atom CG of residue 110
VAL
Atom CB of residue 116
Atom CA of residue 116
GLN
Atom CA of residue 43
Atom OE1 of residue 143
GLY
LEU
Atom N of residue 449
Atom C of residue 97
Atom CG1 of residue 41
Atom CA of residue 143
LYS
LEU
Atom CE of residue 14
MET
Atom NH1 of residue 29
Atom CA of residue 364
Atom CA of residue 537
Atom CG of residue 64
Atom CA of residue 352
SER
PRO
Atom CA of residue 510
Atom OE1 of residue 19
PHE
Atom CA of residue 96
DensityMap5
Atom N of residue 69
Atom ND1 of residue 578
Atom CG2 of residue 51
Atom O of residue 525
Atom O of residue 119
THR
Atom CA of residue 12
Atom OG of residue 453
Atom CG2 of residue 457
THR
ILE
Atom N of residue 558
PHE
GLU
Atom CA of residue 55
ILE
Atom O of residue 133
VAL
Atom CA of residue 474
THR
Atom CG2 of residue 476
Atom N of residue 83
Atom O of residue 138
ARG
SER
Atom CD2 of residue 18
Atom CA of residue 544
PRO
Atom CA of residue 36
Atom CB of residue 442
Atom CG2 of residue 54
Atom O of residue 48
Atom CA of residue 80
Atom ND2 of residue 567
Atom C of residue 439
PHE
Atom CA of residue 87
Atom O of residue 97
Atom O of residue 93
Atom CA of residue 20
GLU
Atom CA of residue 115
Atom CA of residue 195
Atom CA of residue 92
Atom CA of residue 52
Atom CA of residue 86
LEU
TYR
Atom O of residue 132
Atom CA of residue 110
Atom CG2 of residue 116
Atom CA of residue 153
Atom CA of residue 65
Atom CA of residue 487
Atom CG of residue 92
Atom O of residue 118
Atom CA of residue 46
Atom CA of residue 107
Atom CA of residue 181
LEU
Atom CA of residue 81
PHE
GLU
Atom CZ of residue 104
Atom C of residue 36
Atom NH2 of residue 29
Atom C of residue 65
Atom CA of residue 53
SER
Atom CA of residue 464
ILE
Atom CA of residue 500
Atom CA of residue 442
Atom CA of residue 11
ILE
Atom CD of residue 110
Atom CA of residue 369
GLY
PHE
Atom CD1 of residue 457
ALA
TRP
TRP
Atom N of residue 501
Atom OE2 of residue 143
VAL
Atom N of residue 43
Atom CG2 of residue 41
ASN
Atom CA of residue 194
LEU
Atom CD of residue 14
Atom NZ of residue 121
Model 6
GLN
Atom CA of residue 156
Atom CA of residue 478
Atom CA of residue 68
ILE
Atom CB of residue 48
Atom CA of residue 400
Atom C of residue 537
Atom CA of residue 182
HIS
THR
Atom CB of residue 525
Atom CA of residue 19
HIS
THR
PHE
Atom C of residue 68
Atom O of residue 439
Atom CA of residue 109
PRO
Atom N of residue 454
Atom CA of residue 18
Atom CA of residue 16
VAL
Atom CA of residue 533
VAL
Atom C of residue 5
Atom N of residue 55
Atom CB of residue 133
Chain B
Atom CD1 of residue 64
ARG
Atom CB of residue 138
Atom CA of residue 155
PRO
Atom CA of residue 34
Atom CB of residue 93
Atom OE2 of residue 19
Atom CA of residue 2
Atom CG1 of residue 476
Atom CA of residue 52
PRO
Atom OG of residue 442
LEU
Atom CA of residue 22
ALA
Atom CB of residue 10
ARG
LYS
THR
Atom CB of residue 97
Atom CA of residue 106
GLY
Atom CB of residue 118
Atom CA of residue 37
GLN
VAL
Atom CA of residue 4
SER
Atom CA of residue 115
Atom CB of residue 132
Atom CA of residue 14
Atom CA of residue 3
Atom N of residue 42
Atom CG1 of residue 116
ALA
Atom CA of residue 20
Atom CA of residue 501
CYS
LEU
Atom CA of residue 146
Atom CA of residue 38
Atom N of residue 52
Atom CA of residue 196
Atom O of residue 65
Atom CA of residue 100
LEU
Atom CA of residue 449
SER
SER
GLY
Atom CD2 of residue 578
LYS
PRO
MET
Atom CA of residue 97
Atom CB of residue 439
Fit restraint scratch map
Atom CA of residue 365
Atom N of residue 19
Atom CA of residue 117
Atom CA of residue 353
Atom CA of residue 42
Atom C of residue 155
Atom CA of residue 54
LEU
Atom CA of residue 8
PRO
GLY
PRO
Atom CG of residue 40
Atom O of residue 537
Atom CA of residue 511
Atom CA of residue 558
ARG
Atom O of residue 68
Atom CA of residue 83
Atom CA of residue 17
ILE
Atom CA of residue 32
Atom CA of residue 454
Atom CA of residue 545
ASN
Atom CA of residue 12
ALA
Atom CD1 of residue 92
Atom N of residue 122
Atom CE1 of residue 578
Atom CA of residue 147
Atom CA of residue 157
Atom C of residue 129
ALA
LYS
SER
Atom CA of residue 109
Atom CA of residue 26
Atom CA of residue 81
LEU
Atom CA of residue 87
Atom O of residue 36
Atom N of residue 30
SER
Atom CA of residue 488
Atom CA of residue 116
Atom CE of residue 110
Atom CA of residue 93
ALA
TYR
LYS
Atom CA of residue 501
ARG
Atom C of residue 449
ASN
ALA
Atom CA of residue 147
GLY
Atom CA of residue 47
Atom CA of residue 88
Atom CG of residue 147
Atom CA of residue 39
Atom CD2 of residue 64
Atom CA of residue 182
GLN
Atom CA of residue 69
Atom CG of residue 48
Atom CA of residue 19
LEU
PRO
Atom N of residue 134
Atom N of residue 20
GLU
Atom CA of residue 60
GLN
Atom N of residue 11
Atom CA of residue 99
Atom CA of residue 433
Atom N of residue 44
Atom CA of residue 370
ILE
LEU
Atom N of residue 144
Atom C of residue 558
LEU
PHE
Atom CB of residue 65
Atom N of residue 443
Atom CG1 of residue 97
Atom N of residue 477
Atom CA of residue 479
Atom CA of residue 57
THR
TRP
Atom CA of residue 195
Atom C of residue 132
Atom CA of residue 183
CYS
Atom CA of residue 28
Atom O of residue 155
Atom CG of residue 93
VAL
GLU
Atom OG of residue 525
PRO
Atom CD2 of residue 92
ASP
Atom C of residue 69
Atom CA of residue 401
Atom NH1 of residue 104
Atom CA of residue 451
Atom C of residue 42
LYS
Atom CD1 of residue 116
Atom N of residue 458
Atom CA of residue 89
LEU
MET
ILE
Atom CA of residue 38
Atom CA of residue 70
Atom N of residue 538
Atom CA of residue 142
MET
Atom N of residue 69
Atom NZ of residue 110
THR
Atom CA of residue 53
Atom C of residue 501
Atom CE1 of residue 64
Atom C of residue 22
Atom CA of residue 13
Atom SG of residue 138
LEU
VAL
Atom O of residue 449
VAL
Atom CA of residue 110
Atom CA of residue 17
Atom O of residue 129
Atom CA of residue 107
Atom CA of residue 34
Atom C of residue 454
Atom CA of residue 55
ASP
Atom CA of residue 534
Atom CB of residue 36
GLN
SER
GLU
GLY
Atom CA of residue 35
Atom C of residue 83
Atom N of residue 440
TYR
GLU
Atom CA of residue 110
Atom O of residue 69
Atom O of residue 558
Atom CA of residue 21
VAL
ALA
Atom CD1 of residue 155
Atom CA of residue 116
GLN
Atom CA of residue 270
LEU
Atom CA of residue 118
GLY
PRO
LEU
Atom CA of residue 20
ALA
Atom N of residue 526
ARG
Atom CD1 of residue 22
ALA
Atom CA of residue 366
Atom CA of residue 90
Atom NH2 of residue 104
Atom CA of residue 354
PRO
Atom N of residue 117
SER
Atom CA of residue 85
Atom CA of residue 30
VAL
Atom CA of residue 512
Atom C of residue 19
Atom CA of residue 61
Atom CA of residue 143
Atom CB of residue 449
ILE
ARG
Atom SD of residue 48
CYS
Atom CA of residue 90
LYS
Atom N of residue 139
Atom CA of residue 538
Atom CB of residue 51
GLN
Atom CA of residue 78
Atom CA of residue 7
LYS
Atom CA of residue 454
Atom CG of residue 65
Atom CA of residue 18
Atom CA of residue 54
Atom CA of residue 149
VAL
Atom OD1 of residue 93
ASN
GLN
Atom CA of residue 8
Atom CA of residue 20
Atom CA of residue 18
Atom CA of residue 489
ARG
VAL
Atom CB of residue 69
Atom CA of residue 82
Atom O of residue 501
TYR
Atom CB of residue 558
Atom CA of residue 546
Atom N of residue 130
ILE
LEU
Atom C of residue 122
Atom CA of residue 448
Atom CA of residue 144
Atom CA of residue 94
Atom CA of residue 486
ARG
Atom N of residue 69
Atom N of residue 93
Atom NE2 of residue 578
Atom CG2 of residue 97
ILE
ILE
ASN
Atom N of residue 111
Atom CA of residue 48
Atom CA of residue 55
Atom CA of residue 42
Atom CA of residue 183
SER
SER
GLU
VAL
Atom CA of residue 91
TRP
Atom N of residue 105
Atom CA of residue 434
Atom NZ of residue 76
Atom CA of residue 268
Atom CA of residue 16
Atom CA of residue 21
TYR
GLU
GLU
Atom CG of residue 36
Atom C of residue 30
Atom CA of residue 480
Atom CA of residue 371
THR
Atom CA of residue 184
VAL
Atom CA of residue 117
Atom CG of residue 118
ILE
SER
Atom CA of residue 37
GLN
Atom CA of residue 498
Atom CA of residue 111
PHE
Atom C of residue 20
Atom O of residue 83
PHE
Atom CD2 of residue 22
GLU
Atom CD of residue 65
Atom O of residue 42
Atom CA of residue 458
Atom CA of residue 79
ARG
GLU
Atom CA of residue 196
ALA
Atom CA of residue 443
Atom CA of residue 402
PRO
Atom CA of residue 134
VAL
Atom CA of residue 58
SER
Atom C of residue 144
Atom CE2 of residue 64
Atom SG of residue 43
Atom CA of residue 487
Atom CE of residue 48
Atom CA of residue 111
ASP
GLY
Atom N of residue 98
Atom CA of residue 56
Atom OG1 of residue 51
ASP
Atom CA of residue 535
Atom CA of residue 141
Atom CA of residue 11
GLN
Atom C of residue 55
Atom N of residue 579
GLN
Atom CD2 of residue 155
MET
Atom CB of residue 501
Atom CA of residue 526
LYS
ASN
Atom CA of residue 69
Atom CA of residue 498
ALA
Atom CB of residue 42
PRO
TYR
Atom CA of residue 477
GLN
GLN
Atom CA of residue 108
ARG
GLU
PHE
Atom CA of residue 10
Atom CA of residue 144
Atom CA of residue 117
Atom CG of residue 449
GLU
Atom CD of residue 118
Atom O of residue 454
Atom CA of residue 29
Atom OD2 of residue 93
ALA
GLN
Atom CA of residue 22
Atom CB of residue 83
LEU
Atom CA of residue 139
Atom O of residue 19
GLN
ALA
Atom CA of residue 20
Atom C of residue 11
SER
Atom CA of residue 37
Atom C of residue 443
Atom CB of residue 20
Atom SD of residue 36
Atom O of residue 30
VAL
Atom CA of residue 367
MET
Atom CA of residue 59
VAL
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 355
Atom CG of residue 69
Atom N of residue 49
Atom OG of residue 42
Atom C of residue 134
Atom CG of residue 558
created density map
Atom CA of residue 119
Atom CZ of residue 64
ASP
Atom O of residue 122
Atom CE1 of residue 22
Atom CE of residue 65
MET
GLU
Atom C of residue 458
Atom CA of residue 143
Atom CA of residue 111
Atom O of residue 55
Atom CA of residue 144
Atom CA of residue 91
Atom CA of residue 490
Atom CA of residue 144
Atom CA of residue 4
GLN
Atom CA of residue 547
Atom CA of residue 112
Atom NZ of residue 96
Atom CA of residue 105
Atom O of residue 144
Atom CA of residue 154
LEU
Atom CA of residue 83
Atom CA of residue 138
THR
Atom CA of residue 69
Atom CA of residue 440
HIS
Atom N of residue 43
Atom CB of residue 19
Atom CA of residue 118
Atom CE of residue 118
Atom CA of residue 95
GLN
SER
Atom C of residue 538
ALA
Atom C of residue 477
Atom CA of residue 54
Atom CA of residue 93
ALA
Atom CA of residue 271
Atom CE1 of residue 155
PRO
TYR
ILE
Atom CA of residue 130
MET
Atom CA of residue 49
Atom CA of residue 117
1z5s.pdb
Atom CA of residue 184
GLN
GLN
Atom O of residue 11
SER
SER
Atom CA of residue 481
Atom CA of residue 92
GLU
1tyq_A.pdb
Atom CA of residue 185
LEU
Atom CD of residue 115
LYS
LEU
ARG
Atom CB of residue 122
Atom CG of residue 83
Atom CA of residue 372
LYS
Atom CG of residue 20
CYS
GLY
Atom CB of residue 55
Atom C of residue 69
Atom CE of residue 36
Atom CB of residue 30
TYR
Atom O of residue 78
VAL
TYR
Atom CA of residue 49
Atom O of residue 134
Atom CD1 of residue 449
Atom CA of residue 80
Atom CB of residue 454
Atom CA of residue 110
Atom CA of residue 499
P1
Atom N of residue 65
Fit restraint scratch map
GLN
THR
Atom N of residue 94
Model 44
Atom C of residue 526
Chain A
Atom C of residue 93
Atom NZ of residue 65
Atom CA of residue 98
Atom CA of residue 57
Atom CA of residue 403
Atom O of residue 458
Atom CG of residue 19
GLN
Atom C of residue 69
Atom NZ of residue 118
Atom N of residue 97
Atom CB of residue 11
ILE
ARG
Atom CD of residue 69
Atom CA of residue 89
Atom C of residue 117
Atom N of residue 502
Atom C of residue 105
Atom CB of residue 144
Atom CD1 of residue 558
ARG
Atom CA of residue 32
Atom C of residue 139
Atom N of residue 444
Atom O of residue 538
Atom CA of residue 112
Atom CA of residue 435
Atom CA of residue 197
Atom O of residue 477
Atom CA of residue 109
Atom CA of residue 483
TRP
Atom CA of residue 536
PHE
GLU
Atom CA of residue 499
Atom C of residue 440
Atom C of residue 43
ARG
Atom CA of residue 219
Atom CG of residue 122
Atom CA of residue 115
Atom CA of residue 155
Atom CG1 of residue 55
GLU
Atom CA of residue 579
GLU
Atom CA of residue 139
Atom CA of residue 23
Atom O of residue 69
PRO
LEU
THR
Atom CA of residue 55
TYR
TYR
Atom CA of residue 140
Atom CA of residue 118
python stream
Atom CA of residue 120
Atom CA of residue 142
Atom OG of residue 454
Atom CA of residue 368
ASP
GLN
LYS
GLU
ILE
Atom CB of residue 78
Atom O of residue 526
LYS
LYS
Atom O of residue 22
GLU
VAL
Atom O of residue 93
Atom N of residue 37
THR
Atom CA of residue 116
Atom CA of residue 97
Atom CA of residue 145
PHE
Atom CA of residue 491
Atom CA of residue 145
Atom CB of residue 134
GLN
GLY
Atom C of residue 111
Atom CB of residue 155
ALA
PHE
Atom CB of residue 458
Atom O of residue 69
Atom ND1 of residue 83
Atom CA of residue 33
Atom O of residue 139
Atom C of residue 579
Atom C of residue 43
LEU
SER
SER
Atom C of residue 130
Atom CA of residue 66
Atom C of residue 98
TYR
Atom CA of residue 119
Atom CA of residue 55
Atom O of residue 43
Atom CA of residue 8
Atom CA of residue 548
ILE
Atom CA of residue 119
Atom CA of residue 488
HIS
Atom O of residue 105
PHE
Atom CB of residue 69
Atom CA of residue 272
GLU
MET
Atom CB of residue 538
Atom CB of residue 477
GLU
Atom CA of residue 50
Atom N of residue 70
Atom O of residue 20
Atom CA of residue 50
Atom CA of residue 185
ASN
GLU
Atom CA of residue 186
GLU
LYS
Atom O of residue 440
Atom CA of residue 2676
GLY
Atom CD of residue 19
AccumulateRigidBodyDerivatives5
Atom CA of residue 476
Atom N of residue 455
GLY
Atom CA of residue 111
VAL
Atom CB of residue 93
SER
Atom CA of residue 84
GLY
Atom CA of residue 77
Atom CA of residue 373
GLU
Atom CA of residue 115
LEU
Atom CA of residue 96
GLN
Atom CD2 of residue 449
ASN
Atom CG1 of residue 30
Atom CB of residue 117
Atom O of residue 130
Atom O of residue 111
Atom CB of residue 22
Atom CA of residue 500
Atom O of residue 43
Atom CA of residue 502
Atom N of residue 459
Atom CA of residue 88
Atom OD1 of residue 122
Atom CB of residue 139
Atom CB of residue 526
Atom CA of residue 51
Atom CA of residue 198
Atom CD2 of residue 83
Atom CG2 of residue 55
Atom CA of residue 58
Atom CA of residue 65
ARG
GLU
Atom N of residue 77
Atom CA of residue 94
Atom CA of residue 24
Atom CA of residue 8
Atom CG of residue 134
Atom CA of residue 436
Atom CD2 of residue 558
GLN
MET
SER
Atom CA of residue 404
Atom CB of residue 69
Atom CG of residue 11
LEU
Atom O of residue 579
Atom CA of residue 56
Atom CG of residue 144
Atom N of residue 450
Atom CA of residue 485
Atom CA of residue 537
LYS
GLU
Atom CA of residue 117
GLU
Atom N of residue 119
VAL
TRP
Atom CG of residue 155
Atom NH2 of residue 77
GLY
Atom CA of residue 84
Atom CB of residue 105
Atom CA of residue 220
Atom CA of residue 77
ASP
Atom CA of residue 78
Atom C of residue 61
GLY
Atom OG of residue 477
Atom CA of residue 110
LEU
Atom CB of residue 111
Atom N of residue 66
Atom CA of residue 36
Atom N of residue 559
Atom CA of residue 141
Atom CA of residue 119
Atom CA of residue 24
Atom CG2 of residue 30
Atom CB of residue 440
Atom CB of residue 43
ALA
Atom CA of residue 444
Atom O of residue 98
Atom OE1 of residue 19
Atom CB of residue 130
GLU
Atom CA of residue 459
Atom C of residue 65
LEU
Atom CA of residue 136
Atom CA of residue 37
Atom CG of residue 69
Atom CA of residue 369
ILE
Atom CA of residue 52
LYS
Atom CA of residue 56
Atom C of residue 94
UpdateRigidBodyMembers13
Atom CA of residue 492
Atom CA of residue 580
ALA
ALA
Atom CD2 of residue 81
THR
Atom CA of residue 121
Atom CG of residue 22
ILE
Atom C of residue 49
Atom C of residue 502
PRO
SER
GLN
Atom CD1 of residue 144
Atom CG of residue 526
ARG
Atom CA of residue 39
Atom CA of residue 25
Atom CE1 of residue 83
Atom N of residue 56
Atom CD1 of residue 134
Atom CA of residue 452
Atom CA of residue 146
ILE
VAL
Atom CB of residue 579
Atom CB of residue 98
Atom O of residue 61
LEU
Atom CA of residue 549
Atom CG of residue 93
Atom CA of residue 489
PRO
1z5s.pdb rigid body
GLY
Atom CA of residue 2
Atom CG of residue 139
Atom CG of residue 538
GLN
GLY
LYS
Atom CA of residue 450
Atom CA of residue 120
Atom OD2 of residue 122
GLN
Atom CA of residue 97
ASP
Atom CA of residue 70
Atom N of residue 82
Atom CA of residue 187
ARG
Atom CD1 of residue 30
Atom CA of residue 273
Atom CA of residue 337
Atom CG of residue 440
PRO
Atom CA of residue 44
Atom OE2 of residue 19
Atom CA of residue 51
Atom CA of residue 186
Atom CD of residue 11
ILE
Atom CA of residue 137
Atom O of residue 65
LYS
LEU
Atom N of residue 478
LEU
Atom C of residue 37
PHE
Atom CA of residue 455
Atom CA of residue 112
Atom CB of residue 43
GLY
Atom O of residue 94
Atom CA of residue 559
ASP
LEU
Atom CA of residue 26
Atom CA of residue 374
GLN
Atom CB of residue 443
Atom CA of residue 2677
PHE
Atom CA of residue 22
Atom CA of residue 54
ASN
Atom O of residue 49
Atom C of residue 97
Atom CA of residue 61
ALA
MET
Atom CA of residue 86
Atom CG of residue 105
Atom CD2 of residue 144
Atom CD of residue 69
Atom C of residue 146
Atom CA of residue 56
THR
Atom CG of residue 111
Atom CA of residue 147
Atom CA of residue 199
Atom CA of residue 46
GLY
Atom CA of residue 2647
Atom CA of residue 486
Atom CG of residue 130
ALA
Atom CA of residue 501
Atom CA of residue 116
Atom CG of residue 69
ILE
Atom CA of residue 98
Atom CD of residue 538
Atom C of residue 66
LYS
Atom CB of residue 61
Atom CD2 of residue 134
ASP
GLU
ASP
Atom C of residue 44
Atom O of residue 443
Atom CA of residue 405
Atom CB of residue 65
Atom CA of residue 40
Atom CB of residue 119
ARG
Atom OG of residue 579
LEU
Atom C of residue 4
Atom CZ2 of residue 16
ASN
Atom CA of residue 30
Atom CG of residue 43
Atom CB of residue 94
Atom NE2 of residue 83
Atom CA of residue 336
Atom C of residue 26
ARG
Atom CD of residue 139
Atom O of residue 502
SER
LEU
Atom CA of residue 111
LEU
GLY
Atom CB of residue 49
Atom CA of residue 82
Atom CA of residue 538
Atom CA of residue 221
Atom N of residue 31
PHE
Atom CA of residue 437
LYS
Atom CG of residue 98
Atom O of residue 97
Atom CA of residue 27
Atom CA of residue 25
GLU
Atom CA of residue 85
ASP
GLU
Atom CD of residue 105
SER
Atom CA of residue 581
Atom OD1 of residue 93
ARG
Atom CA of residue 41
Atom CA of residue 57
Atom CA of residue 120
Atom CA of residue 493
Atom CD1 of residue 440
Atom CA of residue 370
Atom C of residue 70
THR
Atom CA of residue 122
LYS
ALA
Atom CD of residue 69
SER
Atom CE1 of residue 144
LEU
Atom CA of residue 137
Atom CA of residue 113
Atom CA of residue 515
Atom CD of residue 526
LYS
VAL
Atom CD of residue 111
Atom C of residue 455
Atom O of residue 3
ALA
Atom CB of residue 136
GLY
Atom OD1 of residue 130
Atom CA of residue 490
Atom CA of residue 113
ASP
Atom O of residue 26
VAL
VAL
Atom CB of residue 502
Atom N of residue 539
Atom C of residue 459
ALA
Atom N of residue 123
Atom O of residue 66
Atom CG of residue 49
Atom CB of residue 97
Atom CE1 of residue 134
PRO
Atom CA of residue 188
Atom CZ3 of residue 16
Atom O of residue 37
PHE
Atom O of residue 44
VAL
PRO
Atom CA of residue 451
Atom CA of residue 121
Atom CA of residue 2
Atom CA of residue 11
Atom CA of residue 550
GLN
ASN
Atom CA of residue 274
ASP
LEU
ASN
Atom CD of residue 43
TRP
Atom C of residue 21
Atom CA of residue 52
Atom CA of residue 62
Atom CA of residue 187
TYR
Atom NE of residue 69
Atom CA of residue 148
Atom CA of residue 87
LEU
ALA
Atom CA of residue 478
Atom CA of residue 2678
Atom CG of residue 61
Atom N of residue 20
Atom ND1 of residue 98
GLU
GLN
1tdx.pdb
Atom N of residue 84
VAL
Atom N of residue 580
LEU
Atom CA of residue 79
Atom N of residue 106
TYR
Atom OE1 of residue 526
ILE
UpdateRigidBodyMembers4
GLU
Atom CG of residue 443
ILE
Atom CG of residue 65
Atom CD2 of residue 440
Atom CB of residue 26
Atom CA of residue 440
Atom CA of residue 42
ALA
VAL
VAL
Atom CA of residue 482
Atom CA of residue 502
Atom NE of residue 69
Atom CB of residue 37
Atom CA of residue 466
Atom CA of residue 113
Atom C of residue 451
Atom CG of residue 21
Atom OE1 of residue 139
TYR
Atom CG1 of residue 94
Atom CA of residue 345
GLY
Atom CG2 of residue 119
Atom CA of residue 31
Atom C of residue 56
LEU
Atom O of residue 459
TYR
Atom CA of residue 2648
Atom CB of residue 44
Atom OE1 of residue 43
Atom CA of residue 451
TYR
LEU
Atom CA of residue 114
Atom O of residue 70
Atom CA of residue 406
Atom CG of residue 502
LEU
Atom CA of residue 47
Atom C of residue 559
Atom CZ of residue 69
LEU
Atom CB of residue 66
Atom NH2 of residue 147
Atom CA of residue 43
Atom CA of residue 539
Atom CH2 of residue 16
Atom CA of residue 338
Atom CA of residue 200
ARG
ALA
THR
Atom OD2 of residue 93
Atom CA of residue 222
PRO
Atom O of residue 455
Atom CA of residue 86
Atom CA of residue 81
Atom CA of residue 120
GLU
ARG
Atom OE2 of residue 526
Atom CA of residue 69
Chain A
Atom CA of residue 112
Atom CA of residue 26
ASP
Atom CA of residue 21
Atom CA of residue 121
Atom CA of residue 494
Atom OE1 of residue 111
Atom N of residue 27
GLU
Atom CD of residue 49
PRO
Atom CA of residue 31
ASP
Atom CA of residue 138
Atom ND2 of residue 130
Atom CG of residue 37
Atom CA of residue 371
LEU
ALA
Atom CB of residue 459
Atom C of residue 478
Atom CA of residue 138
PRO
Atom NE2 of residue 139
Atom CB of residue 70
Atom N of residue 45
Atom CE2 of residue 144
SER
SER
Atom CA of residue 433
PHE
Atom NE2 of residue 43
Atom CA of residue 58
GLU
Atom CA of residue 582
ALA
Atom N of residue 94
Atom CA of residue 122
Atom CE1 of residue 440
Atom CG1 of residue 97
Atom CG of residue 78
PHE
GLY
GLY
Atom CA of residue 123
Atom CA of residue 491
Atom CD of residue 443
PRO
Atom CZ of residue 69
Atom CB of residue 455
Atom CA of residue 114
Atom C of residue 82
Atom CA of residue 123
GLY
PRO
PRO
Atom CA of residue 189
ARG
ILE
Atom CA of residue 139
ALA
SER
Atom CA of residue 516
Atom CD of residue 65
Atom O of residue 559
Atom CA of residue 551
Atom CA of residue 459
Atom CD2 of residue 98
LEU
LEU
TYR
VAL
Atom CD1 of residue 502
Atom C of residue 571
Atom CA of residue 201
ILE
GLU
Atom CA of residue 275
Atom CA of residue 539
VAL
ASP
Atom N of residue 17
Atom NE2 of residue 111
Atom CA of residue 27
VAL
Atom CG2 of residue 94
Atom CA of residue 71
Atom CA of residue 188
GLY
Atom CA of residue 53
GLY
Atom N of residue 131
ASN
Fit restraint scratch map
VAL
Atom CA of residue 114
Atom CA of residue 106
ASN
Atom NH1 of residue 69
CYS
Atom CG of residue 147
Atom OG of residue 70
Atom CA of residue 584
Atom CA of residue 8
Atom CZ of residue 144
Atom CA of residue 84
Atom CA of residue 467
Atom CA of residue 484
LEU
Atom CA of residue 45
Atom CA of residue 43
PHE
Atom CE2 of residue 134
Atom CB of residue 559
Atom CA of residue 72
Atom OE1 of residue 49
Atom CA of residue 2679
GLN
PRO
Atom O of residue 478
GLN
Chain A
GLN
Atom O of residue 56
Atom CG1 of residue 455
Atom N of residue 527
LEU
Atom CA of residue 48
Atom C of residue 8
Atom C of residue 123
Atom CA of residue 74
Atom CB of residue 79
ARG
ILE
Atom CA of residue 2649
Atom CA of residue 94
Atom CA of residue 136
GLN
Atom O of residue 82
Atom CA of residue 42
Atom CA of residue 346
VAL
Atom CA of residue 503
Atom CA of residue 580
Atom CE1 of residue 98
ASN
LEU
Atom CD of residue 12
Atom OG of residue 61
Atom N of residue 140
PRO
Atom OD1 of residue 37
Atom CA of residue 20
Atom N of residue 25
Atom CA of residue 47
PHE
Atom O of residue 567
Atom CG of residue 66
Atom CA of residue 28
VAL
ILE
Atom CA of residue 408
Atom CA of residue 59
Atom C of residue 20
Atom C of residue 84
CYS
Atom CG of residue 559
Atom NH2 of residue 69
Atom CA of residue 339
PRO
Atom CA of residue 460
Atom OH of residue 144
Atom CE of residue 65
Atom CA of residue 113
Atom O of residue 450
Atom CA of residue 223
ASN
Atom C of residue 539
Atom CG of residue 459
Atom CZ of residue 134
Atom CB of residue 82
CYS
Atom CA of residue 441
Atom CA of residue 540
Atom CA of residue 495
Atom CA of residue 101
THR
Atom CA of residue 9
Atom O of residue 117
Atom CA of residue 27
Atom CA of residue 585
Atom CA of residue 139
Atom CA of residue 16
Atom CA of residue 73
PRO
ILE
Atom NH1 of residue 47
THR
Atom CA of residue 87
ARG
PRO
Atom CA of residue 14
ASP
GLU
Atom NH1 of residue 69
Atom O of residue 123
LEU
Atom CA of residue 435
Atom CG of residue 79
Atom CA of residue 82
Atom CD1 of residue 94
Atom CE2 of residue 440
Atom N of residue 112
Atom CA of residue 372
Atom C of residue 580
Atom CA of residue 59
Atom CA of residue 122
Atom CA of residue 140
Atom CA of residue 124
Atom CB of residue 478
Atom CB of residue 8
Atom CA of residue 492
ASN
Atom CB of residue 56
GLU
ASN
GLY
Atom CA of residue 45
ALA
LYS
Atom CA of residue 583
Atom O of residue 8
THR
Atom CA of residue 464
ARG
Atom C of residue 106
Atom CA of residue 190
Atom OD1 of residue 66
Atom CA of residue 60
Atom NZ of residue 65
Atom NH2 of residue 115
GLY
Atom N of residue 83
Atom CA of residue 36
Atom OE1 of residue 12
Atom N of residue 70
Atom O of residue 84
Atom N of residue 456
LEU
Atom CD of residue 61
Atom C of residue 119
VAL
Atom CD2 of residue 502
Atom CA of residue 517
GLY
Atom OH of residue 134
PHE
PRO
MET
ASP
Atom NH2 of residue 47
Atom N of residue 71
Atom CG2 of residue 97
LEU
ALA
ILE
Atom CA of residue 26
Atom CB of residue 123
Atom CA of residue 276
ASN
LEU
GLU
Atom N of residue 95
Atom CA of residue 18
Atom CA of residue 552
Atom CA of residue 131
LEU
TYR
Atom O of residue 580
Atom CA of residue 18
THR
Atom CA of residue 527
Atom CA of residue 189
Atom NH2 of residue 69
LYS
GLN
Atom CA of residue 25
Atom N of residue 145
Atom CZ of residue 440
ILE
Atom CA of residue 54
Atom CA of residue 115
Atom O of residue 539
Atom CD of residue 459
ALA
GLU
Atom N of residue 451
Atom ND2 of residue 37
Atom CA of residue 137
ASN
THR
Atom CA of residue 2680
Atom C of residue 9
ALA
ASP
ARG
Atom NE2 of residue 98
Atom CD1 of residue 559
Atom CA of residue 140
LYS
Atom CA of residue 3
LYS
GLN
Atom CA of residue 87
Atom CA of residue 14
Atom N of residue 98
ASN
ARG
Atom OD2 of residue 66
Atom CA of residue 42
Atom CA of residue 83
Atom CA of residue 49
Atom CB of residue 84
SER
Atom CA of residue 75
Atom CA of residue 584
Atom CA of residue 504
Atom OE2 of residue 49
Atom CD of residue 25
Atom CA of residue 10
Atom CA of residue 438
Atom CA of residue 123
LYS
Atom CG2 of residue 455
Atom CB of residue 580
Atom CA of residue 347
Atom CE1 of residue 502
Atom O of residue 106
Atom CA of residue 6
Atom CA of residue 450
Atom O of residue 119
Atom CD of residue 79
Atom O of residue 20
Atom CA of residue 2650
Atom CG1 of residue 56
Atom CA of residue 66
PRO
Atom OG of residue 478
ILE
ILE
Fit restraint scratch map
Atom CA of residue 518
SER
Atom OE2 of residue 12
PRO
Atom NE of residue 61
Atom CA of residue 49
Atom CA of residue 112
Atom CA of residue 22
VAL
Atom CA of residue 48
Atom CA of residue 409
Atom N of residue 135
Atom CA of residue 74
Atom CA of residue 541
Atom CA of residue 496
Atom CZ of residue 13
SER
Atom CA of residue 18
Atom CA of residue 45
Atom O of residue 9
Atom CA of residue 224
Atom CA of residue 340
Atom N of residue 99
Atom CA of residue 140
GLU
Atom C of residue 131
LYS
VAL
Atom CA of residue 88
Atom C of residue 45
TYR
Atom C of residue 527
THR
Atom N of residue 70
Atom CA of residue 45
ALA
HIS
PRO
Atom CA of residue 145
Atom CA of residue 114
Atom C of residue 94
Atom N of residue 441
Atom N of residue 67
Atom CB of residue 539
THR
Atom CA of residue 123
PRO
Atom CA of residue 102
Atom CA of residue 48
Atom CA of residue 141
Atom CA of residue 465
GLY
Atom CA of residue 493
Atom CA of residue 373
ARG
Atom C of residue 140
ASN
Atom CA of residue 4
Atom CA of residue 398
Atom CA of residue 21
Atom C of residue 569
LEU
Atom CA of residue 439
Atom CA of residue 10
Atom CA of residue 191
SER
Atom CA of residue 60
ILE
Atom CB of residue 20
ASN
Atom CA of residue 21
LYS
PRO
Atom CA of residue 277
GLY
LEU
Atom CA of residue 125
Atom CA of residue 72
LYS
Atom CG1 of residue 119
Atom CG1 of residue 123
Atom CA of residue 456
Atom CA of residue 55
Atom CD2 of residue 559
LYS
Atom CB of residue 106
Atom OE1 of residue 459
ASP
CYS
ALA
Atom N of residue 48
THR
Atom N of residue 80
GLU
SER
Atom CG2 of residue 56
Atom N of residue 50
Atom CA of residue 88
ASN
Atom CA of residue 553
Atom N of residue 26
LEU
Atom N of residue 66
ALA
THR
THR
Atom C of residue 27
Atom O of residue 45
PHE
Atom CE2 of residue 502
Atom CZ of residue 61
ILE
Atom CA of residue 46
LEU
LEU
THR
PRO
Atom C of residue 112
Atom CA of residue 26
THR
Atom CA of residue 190
ASP
Atom N of residue 38
Atom CA of residue 27
Atom CG of residue 84
ARG
PRO
Atom CA of residue 586
Atom CA of residue 116
Atom CA of residue 80
SER
Atom CA of residue 5
Atom O of residue 94
Atom CG of residue 69
Atom CA of residue 80
Atom CG of residue 580
PRO
ILE
LEU
Atom O of residue 527
GLY
ALA
Atom NH1 of residue 13
Atom O of residue 140
LEU
Atom CA of residue 8
Chain  
TYR
ALA
Atom CA of residue 2681
Atom CA of residue 98
LYS
ILE
ALA
ASP
Atom N of residue 479
LEU
ASN
Atom O of residue 131
Atom CA of residue 29
THR
Atom CA of residue 495
ARG
Atom NE2 of residue 459
Atom C of residue 450
MET
Atom CA of residue 70
Atom CA of residue 80
Atom CG of residue 539
Atom CA of residue 95
Atom CA of residue 348
Atom CA of residue 2651
Atom CB of residue 94
Atom CA of residue 88
Atom O of residue 27
Atom CA of residue 71
Atom CB of residue 45
LEU
Atom CA of residue 74
Atom CA of residue 505
ASN
SER
ASP
Atom CA of residue 77
Atom CG2 of residue 4
Atom CA of residue 124
LEU
TYR
ASP
Atom CZ of residue 502
VAL
Atom C of residue 98
Atom CA of residue 49
mol1
Atom CA of residue 135
THR
LYS
Atom CA of residue 497
THR
LEU
ASN
Atom CA of residue 30
Atom CA of residue 37
TYR
PRO
ASP
Atom N of residue 57
ILE
Atom CA of residue 141
GLU
Atom CA of residue 36
Atom CA of residue 225
Atom C of residue 70
Atom CG of residue 8
Atom CA of residue 587
Atom C of residue 95
Atom CD of residue 76
Atom CA of residue 115
Atom CG2 of residue 123
Atom CA of residue 341
Atom N of residue 107
Atom CA of residue 542
Atom CA of residue 103
Atom O of residue 112
Atom CA of residue 142
VAL
Atom CA of residue 46
Atom CA of residue 73
Atom CD1 of residue 4
Atom CA of residue 441
Atom CB of residue 27
LEU
Atom CG of residue 20
ALA
VAL
Atom N of residue 2
Atom CA of residue 89
Atom CB of residue 140
Atom CA of residue 32
Atom CA of residue 4
Atom CG1 of residue 94
Atom CA of residue 374
Atom CA of residue 27
Atom CA of residue 38
Atom CA of residue 460
Atom CB of residue 527
Atom CA of residue 7
LYS
Atom N of residue 88
Atom CA of residue 192
ASP
Atom CA of residue 81
Atom CA of residue 434
PRO
Fit restraint
Atom CA of residue 61
Atom CD1 of residue 539
Atom CA of residue 22
Atom CA of residue 124
Atom CA of residue 585
LEU
P2
Atom CA of residue 56
Atom C of residue 71
Atom CA of residue 126
Atom CD of residue 69
Atom CD of residue 84
SER
Atom CA of residue 26
ARG
GLY
ASN
TRP
Atom CA of residue 99
Atom CA of residue 399
Atom CB of residue 131
ASP
Atom CD1 of residue 580
Atom O of residue 98
TYR
Atom O of residue 95
LEU
Atom CA of residue 70
LEU
LYS
LYS
Atom C of residue 135
MET
Atom CA of residue 278
Atom CA of residue 67
Atom CG2 of residue 45
Atom CA of residue 50
ARG
AccumulateRigidBodyDerivatives19
Atom CA of residue 519
Atom CA of residue 5
Atom CA of residue 52
normalize rigid bodies
LYS
LYS
Atom CA of residue 89
GLY
Atom N of residue 503
Atom C of residue 441
ILE
LYS
LEU
PRO
Atom CA of residue 38
VAL
Atom CA of residue 41
ILE
Atom CB of residue 567
PRO
Atom N of residue 560
Atom CG1 of residue 27
ALA
Atom CA of residue 191
Atom CA of residue 554
Atom CA of residue 479
GLY
PRO
LEU
ASP
SER
TRP
Atom C of residue 48
Atom O of residue 70
Atom CA of residue 202
LEU
Atom CA of residue 117
VAL
Atom CA of residue 21
SER
Atom C of residue 80
LEU
Atom CA of residue 18
ASN
Atom CA of residue 42
Atom CB of residue 112
ARG
Atom O of residue 71
Atom CA of residue 2682
ASP
Atom C of residue 99
Atom CA of residue 69
Atom CB of residue 95
Atom C of residue 66
Atom N of residue 124
ARG
ASP
Atom CA of residue 586
Atom CA of residue 496
Atom CA of residue 138
Atom CA of residue 78
GLN
Atom C of residue 70
Atom CA of residue 89
Atom CD2 of residue 539
Atom N of residue 460
Atom CD of residue 8
GLU
Atom C of residue 67
Atom C of residue 50
Atom CA of residue 12
ASP
Atom C of residue 456
Atom CA of residue 82
Atom CA of residue 506
Atom CA of residue 6
Atom CA of residue 349
Atom CA of residue 28
Atom CA of residue 125
Atom CA of residue 279
Atom CG of residue 140
Atom CA of residue 28
Atom O of residue 135
Atom CD of residue 20
Atom CA of residue 53
LEU
Atom N of residue 85
GLU
Atom CA of residue 107
Atom CG of residue 527
Atom CA of residue 498
LYS
Atom C of residue 38
Atom CA of residue 25
Atom O of residue 441
Atom CA of residue 42
VAL
Atom C of residue 83
Atom CA of residue 31
Atom O of residue 13
Atom CA of residue 142
ALA
Atom C of residue 479
Atom CA of residue 31
Atom O of residue 99
ARG
ILE
Atom CG2 of residue 94
Atom NE of residue 69
Atom CA of residue 40
Atom CB of residue 71
TYR
Atom CG of residue 131
Atom C of residue 25
Atom CA of residue 543
TYR
Atom CA of residue 226
SER
Atom CA of residue 143
GLU
ASP
Atom CA of residue 47
PHE
PRO
Atom CA of residue 12
P2
Atom CA of residue 342
Atom CA of residue 90
Atom CD1 of residue 45
GLN
Atom O of residue 66
Atom CA of residue 74
Atom CB of residue 70
Atom CA of residue 57
LYS
Atom CB of residue 98
Atom CA of residue 140
GLN
Atom CA of residue 116
Atom CA of residue 88
Atom CA of residue 193
Atom CA of residue 57
GLN
Atom CA of residue 34
Atom CA of residue 125
Atom CA of residue 104
PHE
Atom CA of residue 375
THR
Atom O of residue 50
Atom CA of residue 6
PHE
ASN
Atom N of residue 28
Atom CA of residue 203
Atom CB of residue 441
Atom CD2 of residue 580
Model 26
Atom CA of residue 400
Atom C of residue 573
Atom CA of residue 21
ALA
Atom C of residue 107
ASP
Atom CA of residue 5
MET
Atom O of residue 70
Atom N of residue 13
LEU
Atom O of residue 38
GLN
SER
VAL
Atom CA of residue 62
LEU
ASN
Atom N of residue 540
Atom CA of residue 521
Atom O of residue 83
ILE
Atom CG1 of residue 112
Atom C of residue 8
Atom O of residue 67
ALA
Atom CA of residue 127
GLU
ASP
Atom CA of residue 2629
Atom OG of residue 71
VAL
Atom O of residue 25
Atom CB of residue 135
Atom CD of residue 131
ALA
Atom CA of residue 12
Atom O of residue 48
TYR
Atom CA of residue 90
CYS
Atom CA of residue 34
Atom CD1 of residue 94
ALA
Atom CA of residue 42
Atom O of residue 80
Atom CA of residue 100
Atom CG of residue 95
ASP
Atom OE1 of residue 20
Atom CA of residue 98
Atom CA of residue 555
Atom O of residue 479
Atom C of residue 88
ARG
Atom CB of residue 99
Atom CA of residue 29
Atom CA of residue 477
ASN
Atom CG2 of residue 70
GLY
Atom CA of residue 192
ILE
HIS
ILE
ARG
Atom CA of residue 28
Atom O of residue 456
ARG
GLY
Atom CA of residue 72
Atom CB of residue 83
Atom CG2 of residue 27
SampledDensityMap32
Atom CA of residue 22
LYS
Atom CA of residue 2654
Atom CB of residue 38
Atom CA of residue 124
GLU
Atom C of residue 57
rigid bodies list
GLY
ILE
PHE
Atom N of residue 581
Atom CG of residue 98
Atom CA of residue 280
Atom CA of residue 29
MET
Atom CA of residue 503
Atom OD1 of residue 527
Atom CA of residue 36
Atom OD1 of residue 140
Atom CA of residue 2683
GLU
GLN
TYR
ASP
Atom CB of residue 25
Atom CA of residue 9
Atom CB of residue 48
Atom CA of residue 343
Atom CA of residue 145
Atom CA of residue 118
Chain B
Atom CA of residue 85
P0
ALA
Atom O of residue 107
Atom C of residue 460
Atom CA of residue 350
Atom CA of residue 499
Atom CB of residue 70
Atom CZ of residue 69
Atom CA of residue 540
Atom CA of residue 9
Atom CA of residue 95
ARG
Atom CB of residue 67
Atom CA of residue 143
Atom CA of residue 101
Atom OE2 of residue 20
GLU
LEU
VAL
Atom CA of residue 204
Atom CA of residue 90
Atom CA of residue 507
VAL
Atom CA of residue 43
Atom CA of residue 478
Atom C of residue 33
ASN
Atom O of residue 88
Atom CA of residue 126
Atom CG2 of residue 135
Atom N of residue 132
Atom CB of residue 80
ILE
LEU
LEU
Chain D
Atom C of residue 124
Atom CB of residue 456
TYR
Atom CB of residue 50
VAL
Atom CA of residue 139
Atom CA of residue 20
Atom CG of residue 83
Atom O of residue 573
Atom N of residue 9
MET
Atom CB of residue 479
Atom CA of residue 227
Atom CG of residue 441
Atom CB of residue 66
Atom CA of residue 117
Atom CA of residue 194
Atom OG1 of residue 70
Atom CA of residue 78
Atom N of residue 72
Atom CA of residue 46
Atom C of residue 503
Atom OD2 of residue 527
Atom CA of residue 19
Atom CA of residue 544
Atom CA of residue 105
TRP
Atom CA of residue 58
Atom ND2 of residue 140
LYS
LYS
Atom CG of residue 25
Atom CA of residue 48
GLY
Atom CG2 of residue 112
Atom CA of residue 28
ARG
LEU
Atom CA of residue 30
Atom CA of residue 75
Atom NE of residue 13
Atom CG of residue 48
Atom CA of residue 146
Atom CA of residue 376
Atom CA of residue 91
Atom O of residue 57
Atom CG of residue 99
ASP
Atom OD1 of residue 95
VAL
GLU
GLN
rigid bodies list
SER
GLN
GLU
Atom CA of residue 63
TRP
Atom O of residue 460
Atom CA of residue 126
Atom CB of residue 88
Atom CA of residue 22
ILE
VAL
VAL
MET
PRO
Atom CA of residue 21
PHE
Atom CA of residue 128
SampledDensityMap16
PHE
Atom CA of residue 75
GLN
Atom NH1 of residue 69
GLU
Atom OG1 of residue 135
Atom CA of residue 14
Atom CA of residue 401
Atom CA of residue 494
GLU
GLY
SER
Atom CG of residue 456
Atom ND1 of residue 98
ALA
Atom O of residue 124
Atom CA of residue 99
Atom CA of residue 20
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CG2 of residue 479
Atom C of residue 46
Atom CA of residue 91
Atom CA of residue 2668
VAL
GLU
ILE
THR
ASN
Atom CG of residue 38
SER
GLU
P0
Atom N of residue 528
Atom CA of residue 80
HIS
Atom OG1 of residue 70
Atom C of residue 85
Atom CD1 of residue 9
Atom N of residue 141
Atom CG of residue 50
LYS
Atom CG of residue 66
Atom CA of residue 193
Atom CD1 of residue 112
Atom CA of residue 23
Atom CA of residue 556
Atom CA of residue 76
GLN
DensityMap0
ASP
THR
Atom CA of residue 119
ASP
PRO
Atom CA of residue 34
GLU
PRO
Atom O of residue 503
Atom CB of residue 573
GLN
HIS
PHE
Atom NH2 of residue 69
Atom CB of residue 57
Atom CA of residue 2684
Atom CB of residue 107
Atom C of residue 540
Atom O of residue 33
GLU
Atom N of residue 95
GLN
Atom CA of residue 30
Atom CG of residue 80
LEU
PRO
Atom CB of residue 124
Atom CD of residue 441
PRO
Atom CA of residue 79
Chain C
VAL
Atom CA of residue 73
Atom CA of residue 581
Atom CA of residue 8
PRO
Atom CA of residue 500
Atom OE2 of residue 12
AccumulateRigidBodyDerivatives18
Atom CD2 of residue 98
Atom CA of residue 42
Atom CA of residue 91
Atom CA of residue 144
GLU
Atom CA of residue 31
Atom CA of residue 41
ALA
Atom CA of residue 351
Atom CA of residue 100
Atom N of residue 71
Atom CG of residue 67
Atom CA of residue 508
Atom CD of residue 83
Atom N of residue 21
Atom CA of residue 127
Atom CA of residue 149
GLY
GLU
Atom CA of residue 132
Atom SD of residue 48
Atom CA of residue 44
Atom CG2 of residue 70
Atom CA of residue 23
Atom N of residue 46
SER
Atom CA of residue 2653
ASP
UpdateRigidBodyMembers18
Atom CA of residue 13
SER
LYS
ALA
Atom CA of residue 159
Atom CA of residue 147
PRO
Atom CA of residue 12
Atom CG1 of residue 479
ARG
Atom N of residue 58
Atom OD1 of residue 99
Atom OG of residue 7
Atom CA of residue 195
VAL
THR
LYS
Atom CA of residue 545
GLU
Atom CG of residue 88
Atom N of residue 70
Atom CB of residue 33
Atom CA of residue 49
ASN
Atom N of residue 113
Atom CD1 of residue 456
HIS
Atom C of residue 581
Atom ND2 of residue 95
Atom CA of residue 44
Atom CA of residue 76
Atom CA of residue 59
Atom CA of residue 92
VAL
Atom N of residue 136
ILE
GLU
Atom CA of residue 6
Atom CA of residue 2630
PRO
LEU
Atom CA of residue 81
LYS
Atom CA of residue 118
Atom CA of residue 68
Atom CA of residue 377
Atom CA of residue 43
Atom CB of residue 503
NormalizeRotation6
Atom CB of residue 460
Atom CA of residue 127
Atom CA of residue 156
Atom CA of residue 106
TRP
Atom CD1 of residue 38
ILE
Atom CA of residue 99
Atom O of residue 540
Atom CA of residue 36
Atom OD1 of residue 67
Atom CD of residue 50
TYR
GLU
Atom O of residue 85
Atom CA of residue 278
UpdateRigidBodyMembers10
ARG
Atom CA of residue 402
SER
LYS
MET
ASN
Atom CA of residue 64
Atom N of residue 96
Atom CA of residue 2652
ASP
Atom CA of residue 13
Atom N of residue 442
THR
ARG
Atom CG1 of residue 107
Atom CA of residue 573
Atom CA of residue 7
LEU
Atom CD2 of residue 9
Atom CD of residue 80
Atom CB of residue 61
Atom OE1 of residue 83
LEU
Atom OD1 of residue 66
Atom CA of residue 141
PRO
Atom OD2 of residue 99
Atom CD of residue 78
Atom CA of residue 522
CYS
Atom CA of residue 8
ALA
Atom CE of residue 48
Atom CA of residue 58
Atom O of residue 581
GLU
Fit restraint scratch map
Atom CA of residue 528
Atom N of residue 71
Atom CA of residue 32
Atom CG of residue 33
ASP
GLN
Atom CA of residue 479
Atom CA of residue 557
Atom CA of residue 37
Atom CA of residue 2669
Atom CA of residue 194
MET
THR
Atom OG of residue 124
Atom CB of residue 85
NullModifier6
LYS
Atom CA of residue 24
Atom CA of residue 78
GLU
Atom CA of residue 40
ASP
Atom CA of residue 120
Atom CE1 of residue 98
THR
ALA
Atom CA of residue 70
GLY
Atom C of residue 28
VAL
Atom N of residue 573
Atom CA of residue 160
LEU
Atom CD2 of residue 456
PHE
Atom OD2 of residue 67
Atom CA of residue 81
Atom NE of residue 50
Atom CA of residue 92
Atom N of residue 32
THR
Atom CA of residue 2631
Atom C of residue 95
GLU
Atom CA of residue 2648
Atom CA of residue 150
Atom CG of residue 460
ILE
ASP
Atom CD2 of residue 38
SER
Atom CA of residue 31
GLU
Atom CA of residue 501
PHE
MET
Atom N of residue 480
ALA
Atom CA of residue 72
SER
Atom CA of residue 2685
Atom CA of residue 145
Atom CG2 of residue 107
Atom CB of residue 540
GLU
GLY
Atom CD of residue 88
Atom OD2 of residue 66
Atom CA of residue 45
GLU
Atom N of residue 100
Atom CA of residue 523
Atom CA of residue 82
Atom CA of residue 352
ALA
SER
Atom CA of residue 49
THR
Atom CA of residue 69
Atom N of residue 10
Atom CG of residue 503
Atom CA of residue 96
Atom CA of residue 10
ASN
THR
Atom CE of residue 78
Atom CA of residue 45
VAL
LEU
GLY
Atom C of residue 21
THR
Atom CA of residue 509
Atom N of residue 81
GLU
Atom CB of residue 85
Atom CA of residue 128
Atom CG of residue 85
Atom CA of residue 92
GLU
LEU
Atom CA of residue 587
Atom CA of residue 196
GLY
GLN
Atom C of residue 528
Atom CA of residue 98
PRO
LEU
CYS
Atom CA of residue 39
Atom CA of residue 41
Atom CA of residue 113
Atom CA of residue 457
Atom N of residue 68
GLY
Atom CZ of residue 50
GLU
Atom CA of residue 85
ALA
ALA
Atom NH2 of residue 147
Atom CA of residue 157
Atom C of residue 72
ALA
LYS
ALA
Atom CA of residue 77
Atom CA of residue 119
Atom CA of residue 131
Atom CA of residue 60
Atom CA of residue 33
Atom CA of residue 75
Atom CA of residue 35
PHE
Atom CA of residue 546
Atom CA of residue 107
PHE
Atom CA of residue 71
GLY
HIS
Atom CA of residue 520
PRO
Atom CA of residue 378
Atom C of residue 141
LEU
LYS
Atom OD1 of residue 33
Atom CA of residue 144
Atom CA of residue 93
Atom CA of residue 66
LEU
Atom N of residue 125
Atom CG1 of residue 45
Atom C of residue 33
Atom CA of residue 65
Atom OD1 of residue 503
ASN
PHE
Atom CA of residue 128
PHE
LYS
Atom CA of residue 161
PRO
Atom CA of residue 442
Atom CD1 of residue 107
Atom CA of residue 69
LEU
SER
Atom CA of residue 81
Atom CB of residue 581
Atom CG of residue 85
Atom O of residue 21
Atom CA of residue 10
PRO
Atom N of residue 39
ALA
GLU
Atom CA of residue 66
GLY
Atom N of residue 89
PRO
Atom O of residue 28
Atom NE2 of residue 98
GLU
Atom CA of residue 136
Atom CA of residue 71
HIS
Atom N of residue 457
Atom CA of residue 93
Chain  
Atom CA of residue 52
Atom NZ of residue 78
Atom CA of residue 480
Atom C of residue 71
Atom CA of residue 2670
ASP
Atom CA of residue 7
Atom O of residue 72
Atom CA of residue 264
GLU
Atom N of residue 67
Atom CA of residue 79
Atom O of residue 95
PRO
MET
Atom CD of residue 460
Atom CA of residue 195
VAL
Atom N of residue 49
Atom CA of residue 2687
MET
Atom CA of residue 32
Atom O of residue 141
Atom CA of residue 121
Atom CA of residue 82
Atom CA of residue 558
LEU
Atom C of residue 113
Atom CA of residue 2649
Atom CA of residue 151
CYS
LYS
ILE
Atom CA of residue 502
HIS
Atom O of residue 528
PRO
Atom CA of residue 2658
Atom CG1 of residue 117
Atom CA of residue 146
Atom CA of residue 86
PRO
Atom O of residue 6
SER
Atom CA of residue 282
Atom CG of residue 540
Atom OD2 of residue 33
TRP
ASP
PRO
Atom CA of residue 26
Atom CB of residue 9
Atom CA of residue 100
TYR
Atom CA of residue 25
Atom CA of residue 132
Atom CB of residue 28
LEU
GLN
Atom OD1 of residue 85
LYS
Atom CG of residue 581
Atom ND2 of residue 503
Atom CA of residue 353
ILE
Atom CB of residue 72
Atom N of residue 99
Atom N of residue 108
PHE
GLN
Atom CB of residue 95
ARG
Atom CA of residue 93
Atom CA of residue 510
Atom C of residue 58
Atom CA of residue 42
Atom C of residue 96
TYR
Atom OD1 of residue 136
Atom CA of residue 67
Atom CA of residue 46
ASP
Atom CA of residue 80
Atom CA of residue 197
PRO
Atom OE1 of residue 460
Atom CA of residue 99
Atom C of residue 136
Atom CA of residue 87
LEU
Atom CB of residue 560
Atom CA of residue 162
Atom O of residue 71
GLU
ILE
GLU
Atom CA of residue 68
GLU
Atom CB of residue 135
LEU
Atom CB of residue 49
Atom C of residue 442
Atom CA of residue 76
THR
GLN
Atom CA of residue 144
Atom CA of residue 2629
Atom CA of residue 30
PHE
Atom CA of residue 480
TYR
Atom CA of residue 547
TYR
LYS
Atom CA of residue 78
Atom C of residue 71
Atom C of residue 70
Atom CA of residue 61
Atom CB of residue 141
LYS
Atom SD of residue 540
Atom CA of residue 34
VAL
Chain C
Atom O of residue 113
Atom CA of residue 94
Atom NH1 of residue 50
P1
DensityMap24
PRO
PHE
Atom CG of residue 28
Atom CB of residue 62
ASP
Atom CD1 of residue 85
Atom CA of residue 54
Atom CA of residue 120
GLU
Atom CD1 of residue 581
Atom O of residue 96
Atom CB of residue 528
Atom CA of residue 34
HIS
Atom CA of residue 108
Atom C of residue 457
Atom CG of residue 72
GLN
Atom CA of residue 10
VAL
Atom CG of residue 95
Atom CA of residue 20
Atom CB of residue 21
ILE
Atom CG of residue 560
Atom CG of residue 9
Atom CA of residue 68
Atom O of residue 58
Atom C of residue 100
Atom CA of residue 89
Atom CA of residue 2
GLN
ASP
Atom CA of residue 100
THR
VAL
Atom O of residue 70
ASN
LYS
THR
LYS
Atom N of residue 504
Atom CA of residue 283
Atom CA of residue 137
Atom CA of residue 108
Atom CA of residue 481
Atom CA of residue 70
Atom CA of residue 125
LYS
PRO
Atom O of residue 136
Atom CA of residue 265
Atom CA of residue 94
Atom CA of residue 35
Atom CA of residue 145
Atom CB of residue 71
Atom CA of residue 36
Atom CA of residue 67
AccumulateRigidBodyDerivatives6
Atom CA of residue 66
Atom ND2 of residue 85
Atom CA of residue 53
Atom CE of residue 540
Atom N of residue 34
Atom CA of residue 19
Atom CA of residue 196
Atom CA of residue 559
Atom C of residue 480
Atom CA of residue 20
Atom CA of residue 2650
Atom CA of residue 152
Atom NH2 of residue 50
Atom N of residue 118
Atom CA of residue 2671
GLN
GLU
Atom CA of residue 122
THR
Atom CD2 of residue 85
LEU
Atom CA of residue 163
SER
Atom CA of residue 43
Atom CA of residue 88
THR
LEU
Atom C of residue 81
Atom CB of residue 58
Atom CA of residue 147
Atom NE2 of residue 460
GLU
Atom CA of residue 26
LYS
Atom O of residue 71
Atom C of residue 14
ASP
ARG
MET
Atom CB of residue 70
Atom CB of residue 113
Atom C of residue 68
Atom CD of residue 96
ALA
GLU
ASP
Atom O of residue 442
Atom CA of residue 27
Atom CG of residue 528
Atom CG of residue 21
VAL
PHE
python stream
Atom CA of residue 2659
Atom CA of residue 118
Atom CA of residue 99
TYR
LYS
ARG
Atom C of residue 125
Atom CG of residue 141
THR
Atom CA of residue 354
ARG
LYS
Atom C of residue 67
Atom CA of residue 198
ALA
Atom CD of residue 28
Atom CA of residue 33
PRO
TRP
Atom CA of residue 2688
Atom CA of residue 47
Atom CA of residue 504
Atom CA of residue 250
TRP
THR
GLY
TYR
Atom CG of residue 49
Atom CA of residue 77
LYS
LYS
Atom CD of residue 72
Atom CA of residue 511
GLU
Atom CA of residue 37
Atom CB of residue 136
GLU
Atom OD1 of residue 95
Atom CA of residue 67
SER
Atom O of residue 100
Atom CD1 of residue 560
Atom O of residue 14
Atom CA of residue 94
LEU
Atom O of residue 480
Atom C of residue 89
Atom CB of residue 442
GLN
ARG
Atom N of residue 569
ILE
Atom CD2 of residue 581
Atom C of residue 99
Atom N of residue 541
ARG
Atom O of residue 457
Atom CA of residue 79
Atom CA of residue 62
Atom C of residue 31
DensityMap10
Atom CA of residue 21
Atom N of residue 86
ASN
Atom CA of residue 121
Atom CD1 of residue 6
Atom CA of residue 2686
Atom CA of residue 477
Atom CA of residue 548
Atom CA of residue 109
CYS
Atom N of residue 86
SER
Atom CA of residue 55
Atom CB of residue 71
Atom O of residue 125
Atom C of residue 108
Atom O of residue 68
Atom CA of residue 95
Atom N of residue 51
Atom CE of residue 96
LEU
VAL
Atom CA of residue 164
PHE
Atom O of residue 67
ILE
Atom CA of residue 77
Atom N of residue 461
Atom CA of residue 13
Atom CA of residue 15
Fit restraint
Fit restraint scratch map
Atom CA of residue 138
ASP
SER
Atom CA of residue 482
Atom C of residue 34
Atom CA of residue 71
PHE
ILE
THR
Atom CG2 of residue 117
THR
VAL
ASN
ASP
Atom CA of residue 77
Atom CA of residue 237
Atom CA of residue 3
Atom O of residue 81
Atom CG of residue 71
Atom OG of residue 442
Atom N of residue 29
Atom CA of residue 95
Atom CA of residue 31
Atom CA of residue 28
Atom N of residue 582
ASN
Atom CA of residue 54
TYR
Atom CA of residue 2651
Atom CA of residue 154
Atom N of residue 73
Atom OG of residue 58
Atom CA of residue 2672
Atom CA of residue 11
Atom CG1 of residue 136
Atom CB of residue 14
Atom CB of residue 100
Atom CA of residue 197
Atom CD2 of residue 560
Atom OG1 of residue 70
SER
GLN
Atom CB of residue 480
VAL
Atom CB of residue 457
GLY
Atom CA of residue 148
VAL
Atom CA of residue 580
Atom CD of residue 49
Atom CA of residue 20
Atom CA of residue 36
LEU
Atom CD of residue 21
Atom CB of residue 67
Atom CA of residue 560
ASN
GLY
SER
Atom CD of residue 141
ASP
TYR
ILE
Atom CG of residue 113
Atom ND2 of residue 95
Atom CA of residue 83
Atom CA of residue 2660
CYS
Atom C of residue 504
Atom CG of residue 96
ASP
Atom CD of residue 528
Atom O of residue 108
Atom CA of residue 156
Atom CA of residue 10
Atom CA of residue 3
Atom O of residue 89
Atom CA of residue 96
Atom CB of residue 68
Atom CA of residue 123
MET
ALA
GLY
Atom CA of residue 199
Atom CB of residue 81
Atom CA of residue 355
ILE
ARG
Atom CD1 of residue 71
Atom CA of residue 29
DensityMap885
Atom CA of residue 63
VAL
THR
GLY
Atom CA of residue 4
Atom CG of residue 71
Atom CA of residue 78
Atom CA of residue 155
Atom CA of residue 34
Atom CA of residue 73
Atom CA of residue 512
Atom CA of residue 48
Atom CA of residue 8
GLU
Atom CA of residue 165
Atom CA of residue 257
Atom CD2 of residue 6
THR
Atom O of residue 99
Atom CA of residue 32
LEU
HIS
Atom CA of residue 561
GLU
THR
LEU
THR
GLU
ASP
PRO
GLU
Atom CB of residue 125
Atom OE1 of residue 21
LEU
Atom NE of residue 141
Atom N of residue 59
THR
Atom CG of residue 14
Atom CB of residue 89
Atom CD1 of residue 113
Atom CG of residue 100
PHE
ILE
MET
Atom CA of residue 478
Atom CA of residue 549
ALA
Atom CG of residue 480
Atom CA of residue 63
VAL
Atom CA of residue 359
Atom CE of residue 528
PHE
Fit restraint
Atom CG1 of residue 132
PHE
ASN
Atom CB of residue 96
HIS
1z5s_C.pdb
Atom CA of residue 86
GLU
Atom CA of residue 96
Atom CA of residue 94
Atom CA of residue 267
GLN
Atom CA of residue 541
Atom O of residue 34
Atom CA of residue 56
LEU
TYR
LYS
Atom CG of residue 81
Atom CA of residue 86
Atom CA of residue 122
Atom CA of residue 70
THR
Atom CA of residue 51
Atom CA of residue 46
GLY
ARG
Atom CA of residue 110
Atom CG2 of residue 70
Atom CB of residue 99
Atom O of residue 504
Atom CA of residue 483
LYS
ASN
Atom CD1 of residue 71
Atom N of residue 443
Atom CB of residue 108
Atom CA of residue 80
GLU
Atom CA of residue 6
LYS
Atom N of residue 7
Atom N of residue 561
Chain A
Atom CG1 of residue 457
ALA
Atom CA of residue 532
Atom CA of residue 84
Atom CA of residue 42
TRP
Atom CD2 of residue 71
PHE
LYS
Atom C of residue 63
Atom CA of residue 35
Atom CG2 of residue 136
Atom CG of residue 67
Atom CB of residue 77
Atom CA of residue 72
Atom CZ of residue 141
Atom CA of residue 96
Atom CA of residue 461
Atom CA of residue 18
Atom OG of residue 89
SER
Atom CA of residue 50
Atom CD2 of residue 113
Atom CA of residue 439
SER
Atom CA of residue 149
Atom NZ of residue 528
Atom CA of residue 198
Atom CG of residue 125
P2
Atom CA of residue 55
Atom C of residue 86
Atom CA of residue 561
Atom C of residue 86
Atom CA of residue 2652
LEU
Atom CA of residue 124
Atom CA of residue 34
Atom CA of residue 2673
Atom C of residue 541
Atom N of residue 4
Atom CA of residue 22
Atom CA of residue 52
PRO
ASP
Chain C
PRO
PHE
Atom CA of residue 29
Atom CD1 of residue 480
GLU
Atom N of residue 96
Atom C of residue 29
GLN
Atom CD2 of residue 6
LEU
LYS
normalize rigid bodies
ILE
Atom CG of residue 99
GLU
Atom N of residue 35
Atom CA of residue 15
Atom CG2 of residue 132
Atom CA of residue 72
Atom CA of residue 475
Atom CA of residue 24
Atom CG2 of residue 108
Atom C of residue 90
Atom CA of residue 97
Atom CA of residue 79
SER
Atom C of residue 51
Atom C of residue 461
Atom CA of residue 22
Atom OE2 of residue 21
GLY
ALA
Atom CA of residue 200
Atom N of residue 71
Atom CG of residue 68
ILE
ALA
Atom CA of residue 582
MET
Atom CD1 of residue 136
Atom CA of residue 2661
Atom CA of residue 147
Atom CA of residue 95
GLY
Atom CB of residue 504
Atom CA of residue 356
Atom CA of residue 141
Atom CG of residue 77
ALA
Atom CD2 of residue 71
Atom CZ of residue 13
PRO
ASP
Atom CA of residue 43
Atom CA of residue 294
Atom CA of residue 258
Atom N of residue 63
VAL
Atom N of residue 72
Atom CD1 of residue 81
ASP
Atom N of residue 7
SER
Atom CA of residue 9
Atom CA of residue 153
GLY
LYS
Atom CA of residue 265
Atom CA of residue 22
Atom C of residue 49
Atom O of residue 86
LYS
Atom CE of residue 146
ASP
Atom CA of residue 51
Atom N of residue 114
Atom C of residue 582
Atom CA of residue 25
ARG
Atom CD of residue 100
ALA
Atom CA of residue 479
Atom CA of residue 80
PRO
Atom O of residue 86
ILE
THR
ILE
Atom CA of residue 476
Atom CA of residue 81
Atom O of residue 90
Atom CA of residue 64
SER
GLU
Atom O of residue 541
Atom OD1 of residue 67
LYS
Atom C of residue 561
PHE
SER
LEU
Atom CG2 of residue 457
Atom CD1 of residue 68
PRO
Atom CA of residue 25
ALA
Atom CD2 of residue 480
Atom CA of residue 123
Atom CA of residue 268
PRO
Atom N of residue 529
Atom CA of residue 57
Atom CA of residue 550
Atom CA of residue 111
PHE
LYS
Atom O of residue 51
GLN
Atom CA of residue 484
ARG
Atom CD1 of residue 132
Atom NH1 of residue 141
GLY
Atom CD of residue 125
ALA
Atom CA of residue 97
Atom CA of residue 148
Atom CA of residue 329
Atom OG1 of residue 108
Atom O of residue 461
GLN
PRO
Atom C of residue 434
Atom CA of residue 533
Atom CA of residue 157
Atom N of residue 90
GLY
Atom CB of residue 86
Atom CA of residue 295
Atom CA of residue 7
Atom CA of residue 20
Atom N of residue 137
PHE
Atom CA of residue 76
THR
VAL
Atom CA of residue 73
ALA
Atom N of residue 72
Atom OD1 of residue 99
ARG
Atom N of residue 22
Atom CA of residue 263
Chain A
Atom O of residue 582
VAL
THR
Atom CB of residue 86
Atom CA of residue 23
Atom CA of residue 95
Atom CA of residue 59
Atom OE1 of residue 100
THR
VAL
Atom CB of residue 90
Atom O of residue 49
Atom C of residue 73
Atom CD2 of residue 81
Atom CA of residue 37
Atom CA of residue 150
GLU
ALA
Atom CA of residue 81
Atom O of residue 29
Atom CA of residue 56
Atom CA of residue 2653
Atom CA of residue 2674
Atom CA of residue 276
LEU
Atom CD2 of residue 68
VAL
Atom CA of residue 328
ARG
Atom NH1 of residue 13
Atom CA of residue 96
ASP
Atom CA of residue 125
VAL
TYR
Atom CB of residue 51
ALA
Atom CB of residue 461
Atom CA of residue 95
Atom CA of residue 437
Atom CD1 of residue 457
Atom NH2 of residue 141
VAL
Atom CA of residue 97
Atom CA of residue 2656
Atom CA of residue 15
Atom CA of residue 562
GLY
PRO
GLY
Atom NE of residue 125
Atom CA of residue 443
Atom C of residue 7
LEU
Atom CB of residue 541
Atom CA of residue 53
Atom CA of residue 201
GLN
Atom O of residue 434
Atom CA of residue 33
ILE
ALA
Atom CA of residue 26
ARG
Atom CE1 of residue 480
LEU
Atom C of residue 59
Atom CA of residue 71
ILE
Atom CB of residue 582
DensityMap52
Atom CA of residue 27
Atom CA of residue 142
Atom N of residue 133
Atom CA of residue 73
MET
Atom OG of residue 504
PRO
SER
GLN
ASP
Atom CA of residue 2633
Atom CA of residue 357
Atom OE2 of residue 100
Atom CA of residue 21
ASP
GLY
Atom CA of residue 26
Atom CA of residue 82
GLU
Atom OE1 of residue 21
Atom CA of residue 43
TYR
Atom CA of residue 72
Atom CA of residue 259
Atom CA of residue 72
Atom CA of residue 11
Atom CA of residue 11
GLY
Atom CE1 of residue 68
Atom OG1 of residue 461
Atom CA of residue 289
Atom CA of residue 438
Atom NH2 of residue 13
Atom C of residue 96
Atom CA of residue 296
GLY
GLY
Atom CA of residue 35
Atom CA of residue 529
LEU
Atom O of residue 561
Atom CA of residue 480
Atom O of residue 7
ASP
GLN
Atom N of residue 109
Atom CA of residue 16
VAL
Atom CA of residue 527
Atom CB of residue 29
THR
Atom OD2 of residue 67
PHE
Atom CZ of residue 125
Atom C of residue 443
TRP
Atom CA of residue 203
Atom CB of residue 434
PRO
Atom CA of residue 149
Atom OD2 of residue 99
Atom OE2 of residue 21
ASN
Atom CA of residue 82
ASP
Atom CA of residue 114
Atom CA of residue 65
VAL
Atom CA of residue 551
GLN
Atom CA of residue 12
Atom CA of residue 485
HIS
Atom CA of residue 144
ILE
Atom CG1 of residue 86
Atom CA of residue 2654
ARG
Atom CA of residue 269
ILE
Atom N of residue 505
LYS
TYR
LEU
Atom CG of residue 86
Atom O of residue 73
Atom NH1 of residue 115
Atom CA of residue 534
Atom CA of residue 124
Atom CG1 of residue 90
GLU
Atom N of residue 82
Atom O of residue 59
Atom CA of residue 137
Atom N of residue 68
ASN
LEU
Atom CA of residue 112
Atom CA of residue 149
Atom N of residue 23
LEU
ALA
ALA
Atom CA of residue 266
HIS
UpdateRigidBodyMembers16
Atom CA of residue 8
Atom O of residue 96
Atom CA of residue 12
Atom CA of residue 13
Atom C of residue 35
Atom CA of residue 30
Atom CA of residue 58
PHE
Atom N of residue 458
Atom CG of residue 51
Atom CA of residue 151
Atom C of residue 72
Atom CA of residue 74
Atom C of residue 71
Atom O of residue 443
GLU
Atom CB of residue 561
Atom N of residue 142
ARG
Atom N of residue 101
Atom CA of residue 2657
AccumulateRigidBodyDerivatives16
Atom C of residue 114
ASP
Atom CA of residue 22
ARG
ILE
THR
Atom CA of residue 7
Atom CA of residue 466
Atom CA of residue 145
Atom CA of residue 74
Atom N of residue 12
GLU
PRO
ALA
Atom CA of residue 126
Atom CA of residue 57
Atom CA of residue 16
SER
Atom CA of residue 563
Atom CA of residue 79
Atom CB of residue 59
Atom CA of residue 27
Atom CA of residue 2675
Atom CA of residue 54
Atom CA of residue 290
PHE
ARG
Atom CA of residue 297
Atom CB of residue 73
Atom CA of residue 434
ASN
Atom N of residue 542
ASN
Atom CD1 of residue 62
PHE
GLU
Atom CA of residue 90
ILE
Atom CA of residue 2662
Atom OG1 of residue 29
GLU
VAL
THR
Atom CA of residue 96
MET
Atom CA of residue 72
Atom CB of residue 96
Atom CA of residue 130
PHE
Atom C of residue 72
Atom CG of residue 582
Atom CG2 of residue 461
LYS
Atom O of residue 35
Atom CA of residue 26
Atom CG2 of residue 90
Atom CB of residue 443
ALA
LEU
PHE
THR
SER
Atom C of residue 22
Atom CA of residue 68
Atom CA of residue 358
ASP
VAL
Atom CA of residue 271
Atom C of residue 137
Atom CA of residue 22
ALA
ASN
ARG
ALA
TYR
Atom CG2 of residue 86
ALA
Atom CA of residue 454
ARG
Atom C of residue 7
Atom CA of residue 264
Atom CA of residue 199
Atom CD1 of residue 86
Atom CA of residue 481
Atom CG1 of residue 148
ALA
Atom CE2 of residue 480
Atom CG1 of residue 434
ILE
Atom CG of residue 59
ASP
PRO
GLU
Atom O of residue 72
LEU
Atom CA of residue 505
Atom CA of residue 29
Atom C of residue 529
LEU
VAL
P1
PRO
Atom CA of residue 2634
GLU
LYS
Atom N of residue 148
Atom CA of residue 205
THR
Atom CG of residue 73
LEU
Atom CA of residue 150
Atom N of residue 100
PHE
LEU
Atom O of residue 114
Atom CE2 of residue 68
Atom C of residue 82
Atom CA of residue 14
Atom CA of residue 79
VAL
Atom C of residue 90
Atom O of residue 8
Atom CA of residue 486
GLU
Atom CA of residue 143
LYS
Atom CA of residue 83
ASN
ASN
PRO
Atom CA of residue 2655
SER
Atom OD1 of residue 51
Atom CA of residue 23
TYR
PRO
Chain A
Atom CA of residue 48
Atom CA of residue 133
PRO
Atom CA of residue 528
Atom NH1 of residue 125
Atom CA of residue 131
Atom CA of residue 535
Atom CA of residue 59
Atom CA of residue 125
ALA
Atom O of residue 71
Atom CG of residue 443
Atom CA of residue 552
Atom CA of residue 113
Atom CG2 of residue 29
Atom CA of residue 142
Atom N of residue 462
ASN
Atom N of residue 562
Atom CA of residue 136
AccumulateRigidBodyDerivatives14
GLU
Atom CA of residue 291
Atom O of residue 72
Atom CA of residue 298
Atom CA of residue 57
ALA
Atom CA of residue 101
Atom CA of residue 39
Atom O of residue 7
Atom CA of residue 109
Atom CA of residue 146
LYS
Atom CZ of residue 480
Atom CA of residue 86
GLU
Atom CA of residue 458
ILE
Atom CA of residue 152
Atom C of residue 23
Atom CA of residue 467
Atom O of residue 22
Atom CA of residue 146
Atom CD2 of residue 62
Atom CA of residue 29
THR
GLU
Atom O of residue 529
ALA
Atom O of residue 137
Atom CA of residue 75
Atom CD of residue 582
Atom CB of residue 71
ALA
Atom CA of residue 330
Atom CA of residue 542
Atom CZ of residue 68
PRO
Atom O of residue 90
ILE
Atom CA of residue 28
LYS
Atom CA of residue 2658
VAL
THR
Atom N of residue 87
PHE
Atom CA of residue 37
Atom OD2 of residue 51
Atom CA of residue 58
Atom CA of residue 572
GLU
MET
Atom CA of residue 80
Atom CA of residue 2676
Atom CA of residue 75
Atom CG of residue 96
Atom NH2 of residue 125
Atom CA of residue 127
Atom CB of residue 35
Atom CA of residue 20
Atom CA of residue 562
LYS
Atom CB of residue 114
Atom OD1 of residue 59
Atom CA of residue 134
PRO
ASN
python stream rigid body
ASP
Atom CA of residue 97
GLU
Atom CG2 of residue 434
Atom CA of residue 2656
LYS
LEU
Atom CA of residue 564
GLU
ILE
Atom CA of residue 85
Atom OE1 of residue 11
Atom CB of residue 72
PRO
ASP
Atom CA of residue 272
Atom CA of residue 55
LYS
Atom N of residue 23
LEU
ARG
Atom N of residue 63
NormalizeRotation2
Atom O of residue 23
Atom CB of residue 529
LYS
Chain  
Atom N of residue 481
LEU
Atom C of residue 458
Atom CD of residue 73
MET
Atom CA of residue 15
GLU
ASP
Atom N of residue 30
Atom C of residue 142
SER
HIS
Atom CA of residue 73
Atom C of residue 109
Atom CB of residue 72
Atom N of residue 91
Atom CG of residue 71
MET
Atom C of residue 101
Atom C of residue 505
Atom CD2 of residue 86
ASP
TYR
Atom OH of residue 68
Atom N of residue 52
Atom OE1 of residue 582
Atom CA of residue 100
Atom CA of residue 482
Atom O of residue 77
Atom CA of residue 206
MET
Atom CA of residue 2635
Atom N of residue 79
ILE
PHE
Atom CA of residue 137
Atom CD of residue 443
PRO
Atom CA of residue 515
Atom O of residue 82
Atom CA of residue 73
Atom CB of residue 137
Atom CA of residue 147
Atom CA of residue 292
Atom CD1 of residue 90
Atom CA of residue 299
Atom CA of residue 82
Atom N of residue 73
Atom CA of residue 151
Atom CA of residue 15
Atom C of residue 542
Atom CA of residue 49
PHE
Atom CA of residue 80
HIS
VAL
ASP
Atom CA of residue 487
Atom CA of residue 30
Atom CA of residue 12
VAL
Atom CA of residue 30
Atom ND2 of residue 40
Atom N of residue 87
THR
Atom NE2 of residue 11
Atom C of residue 100
PHE
GLY
Atom CA of residue 84
GLN
Atom CA of residue 200
ASP
Atom OG1 of residue 35
Atom C of residue 68
VAL
LYS
ASN
Atom O of residue 458
ARG
TYR
VAL
Atom CA of residue 553
HIS
PRO
GLY
Atom CA of residue 60
ASP
Atom CA of residue 529
ILE
Atom CA of residue 68
ALA
THR
Atom N of residue 91
Atom O of residue 505
Atom CA of residue 2664
PRO
Atom N of residue 126
GLY
CYS
Atom CA of residue 536
ASP
1tdx.pdb
LYS
Atom CA of residue 126
Atom CA of residue 87
Atom CD of residue 96
GLY
Atom N of residue 435
Atom CA of residue 23
Atom N of residue 74
Atom CA of residue 153
HIS
Atom O of residue 109
ARG
Atom CA of residue 468
SER
Atom CA of residue 114
LYS
Atom O of residue 142
Atom OD2 of residue 59
PRO
LYS
GLU
SER
THR
THR
PRO
GLN
VAL
THR
GLU
Atom N of residue 41
Atom CA of residue 83
Atom N of residue 69
Atom CB of residue 82
Atom O of residue 101
Atom CG1 of residue 529
PRO
Atom CA of residue 331
ARG
Atom C of residue 12
Atom CA of residue 87
Atom N of residue 444
Atom CA of residue 28
ASN
LEU
Atom CB of residue 458
Atom CA of residue 2659
Atom CA of residue 148
Atom CB of residue 40
Atom CD1 of residue 71
Atom CA of residue 38
Atom O of residue 63
Atom CA of residue 26
Atom C of residue 32
Atom CA of residue 76
Atom CA of residue 2663
Atom CA of residue 141
Atom CA of residue 263
Atom CG of residue 114
Atom CA of residue 55
Atom CA of residue 435
ARG
Atom CA of residue 23
Atom CA of residue 293
Atom CA of residue 22
Atom CA of residue 300
Atom CA of residue 59
Atom CA of residue 87
Atom O of residue 68
Atom CA of residue 565
GLY
SER
P0
Atom CA of residue 44
Atom CA of residue 2677
Atom CA of residue 56
LYS
SER
PHE
ASN
TYR
Atom CA of residue 462
Atom CA of residue 481
GLN
Atom CA of residue 530
LEU
Atom CA of residue 74
TYR
Atom O of residue 542
LYS
Atom CZ of residue 8
LEU
Atom CA of residue 63
Atom CA of residue 2657
ARG
Atom CA of residue 466
Atom CA of residue 98
Atom CA of residue 74
PRO
THR
Atom CA of residue 73
VAL
Atom CA of residue 128
Atom CB of residue 505
ALA
Atom CA of residue 41
LEU
Atom N of residue 73
Atom CG of residue 87
TRP
Atom NE2 of residue 582
Atom N of residue 22
Atom CG2 of residue 529
ASP
Atom CA of residue 483
Atom CA of residue 86
Atom CA of residue 91
PHE
HIS
Atom CB of residue 109
Atom CG2 of residue 35
TYR
Atom CB of residue 68
Atom CA of residue 202
Atom CA of residue 444
ASN
Atom CA of residue 52
Atom CA of residue 74
Atom CA of residue 269
Atom CB of residue 142
Atom CA of residue 19
Atom CA of residue 2646
Atom CA of residue 79
GLN
Atom CG of residue 137
VAL
GLU
Atom CE of residue 96
Atom CA of residue 152
Atom CA of residue 3
THR
Atom CA of residue 143
ARG
Atom CA of residue 50
Atom CA of residue 30
PRO
Atom CB of residue 101
Atom O of residue 100
THR
Atom CA of residue 81
ARG
Atom CD1 of residue 114
Atom CA of residue 488
VAL
UpdateRigidBodyMembers7
LYS
Atom CA of residue 27
Atom C of residue 462
GLU
Atom CA of residue 56
PHE
CYS
GLY
Atom CA of residue 24
Atom CA of residue 516
Atom CA of residue 436
Atom CG of residue 21
Atom CA of residue 78
GLU
Atom CD2 of residue 71
SER
LYS
Atom CB of residue 63
Atom CB of residue 542
ASN
LYS
LEU
DensityMap27
Atom C of residue 481
THR
Atom CA of residue 9
Atom CA of residue 267
Atom CG of residue 63
PHE
Atom CA of residue 467
DensityMap1
GLY
HIS
Atom CA of residue 440
ALA
Atom CA of residue 142
Atom CG of residue 82
ALA
Atom N of residue 36
Atom CG of residue 68
Atom CA of residue 61
THR
Atom CG of residue 77
Atom CA of residue 270
Atom CA of residue 537
SER
VAL
GLU
Atom CA of residue 127
ASN
Atom CA of residue 91
Atom CA of residue 435
Atom CA of residue 24
Atom CA of residue 154
Atom CA of residue 469
Atom CA of residue 554
VAL
HIS
Atom CA of residue 115
Atom NZ of residue 96
Atom CA of residue 126
Atom CA of residue 301
Atom CA of residue 2638
LYS
LYS
Atom CA of residue 22
LEU
Atom CB of residue 100
Atom C of residue 79
Atom CD1 of residue 137
GLY
Atom C of residue 562
Atom CA of residue 459
Atom C of residue 73
THR
ALA
Atom OG of residue 505
GLU
PRO
Atom CA of residue 2665
Atom CD1 of residue 87
Atom N of residue 459
Atom CA of residue 69
Atom CA of residue 21
LEU
Atom N of residue 22
Atom NH1 of residue 8
Atom CA of residue 88
Atom CA of residue 2664
GLY
Atom CA of residue 266
Atom CD2 of residue 114
SER
Atom CG1 of residue 109
MET
GLU
Atom C of residue 23
Atom CA of residue 84
Atom O of residue 462
ARG
Atom C of residue 30
Atom CA of residue 61
PRO
Atom CA of residue 332
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.mrc
TYR
Atom N of residue 60
LEU
Atom N of residue 583
Atom CD2 of residue 4
GLY
Atom C of residue 74
LEU
Atom CA of residue 2660
PRO
PRO
Atom C of residue 91
VAL
Atom CA of residue 60
Atom CA of residue 20
Atom CA of residue 77
MET
Atom C of residue 435
Atom CA of residue 7
GLU
Atom CG1 of residue 142
Atom CA of residue 129
Atom C of residue 52
Atom CA of residue 45
Atom CG of residue 63
Atom CA of residue 2678
MET
VAL
Atom CA of residue 5
Atom O of residue 481
Atom CA of residue 73
Atom C of residue 126
Atom CA of residue 144
Atom CA of residue 201
Atom CA of residue 34
Atom N of residue 102
SER
Atom CG of residue 542
Atom C of residue 22
VAL
ALA
Atom CA of residue 97
LYS
Atom CA of residue 99
GLN
GLN
Atom CG of residue 100
Atom O of residue 79
GLY
Atom CD2 of residue 137
Atom O of residue 562
Atom CA of residue 566
ASP
ILE
HIS
Atom CA of residue 57
ARG
Atom CA of residue 204
GLY
ASP
Atom CA of residue 459
LEU
Atom CA of residue 484
Atom CA of residue 14
ILE
Atom CA of residue 143
CYS
LYS
Atom N of residue 530
ALA
ARG
THR
Atom CA of residue 26
Atom CA of residue 71
LEU
Atom CA of residue 75
Atom CD of residue 63
Atom CA of residue 44
Atom CD1 of residue 82
Atom CD1 of residue 68
Atom CA of residue 360
Atom CA of residue 87
Atom CD1 of residue 77
Atom CA of residue 153
GLY
Atom CA of residue 166
Atom CD2 of residue 87
ILE
Atom CA of residue 82
Atom CA of residue 460
PRO
Atom CA of residue 12
Atom CA of residue 302
Atom N of residue 115
Atom C of residue 69
Atom CA of residue 489
Atom C of residue 87
Atom CA of residue 442
Atom C of residue 91
PHE
Atom CA of residue 26
LEU
Atom O of residue 30
TYR
Atom CB of residue 562
Atom CA of residue 377
Atom O of residue 435
Atom CA of residue 2661
Atom O of residue 22
ILE
Atom O of residue 126
Atom CA of residue 51
LEU
Atom CB of residue 79
Atom CG2 of residue 109
GLN
GLU
LEU
PHE
LYS
Atom CA of residue 517
Atom CA of residue 11
Atom CA of residue 334
PRO
ILE
ASN
Atom CG2 of residue 142
GLY
Atom CA of residue 62
VAL
LEU
Atom CA of residue 79
Atom CB of residue 481
Atom C of residue 73
Atom CA of residue 531
GLU
Atom CA of residue 2
SER
CYS
LEU
Atom O of residue 23
ASP
ALA
Atom CA of residue 489
LEU
Atom CA of residue 139
GLU
Atom CA of residue 157
Atom CD1 of residue 542
Atom CA of residue 36
LYS
Atom CA of residue 470
Atom CA of residue 62
Atom CA of residue 555
Atom N of residue 72
Atom CA of residue 583
Atom CB of residue 462
Atom CA of residue 145
Atom CA of residue 72
HIS
Atom N of residue 97
Atom CD of residue 63
Atom CE1 of residue 137
Atom CA of residue 261
PRO
LYS
GLN
Atom O of residue 91
Atom CA of residue 2666
Atom CE1 of residue 87
Atom CA of residue 2636
Atom CA of residue 433
TYR
Atom N of residue 506
Atom CA of residue 538
PHE
PHE
Atom CA of residue 128
Atom O of residue 52
ASN
Atom CA of residue 492
Atom CA of residue 88
VAL
Atom CA of residue 116
Atom CB of residue 435
Atom O of residue 73
Atom C of residue 41
Atom O of residue 74
PRO
Atom CA of residue 91
Atom CA of residue 2665
Atom OE1 of residue 63
TYR
Atom CB of residue 126
Atom CG of residue 562
Atom CA of residue 68
Atom CA of residue 60
Atom CD of residue 100
Atom O of residue 87
Atom CA of residue 202
ALA
Atom CA of residue 326
Atom C of residue 444
ASP
Atom CA of residue 25
PHE
Atom CG of residue 79
Atom CA of residue 77
Atom CB of residue 30
Atom O of residue 69
ASP
Atom CA of residue 6
SER
LYS
LEU
Atom CA of residue 19
Atom CB of residue 23
Atom CA of residue 461
Atom CE2 of residue 87
Atom CA of residue 6
SER
Atom CA of residue 167
Atom CD2 of residue 82
Atom CA of residue 39
Atom CD2 of residue 68
Atom CB of residue 91
ALA
Atom CA of residue 130
Atom CA of residue 518
Atom CA of residue 158
Atom CD1 of residue 109
Atom C of residue 20
Atom CA of residue 530
GLU
Model 24
Atom N of residue 53
Atom C of residue 583
VAL
VAL
Atom CA of residue 532
GLY
Atom CA of residue 61
GLN
Atom CB of residue 87
Atom CA of residue 567
TYR
Atom O of residue 91
Atom NH1 of residue 33
Atom CA of residue 2679
Atom CA of residue 58
LEU
Atom ND2 of residue 40
Atom O of residue 41
Atom CA of residue 2661
SER
MapReaderWriter6
PRO
Atom CB of residue 6
Atom CA of residue 485
PRO
Atom CA of residue 35
VAL
PRO
GLN
VAL
Atom CA of residue 468
Atom CA of residue 12
ILE
ARG
Atom CG of residue 462
ALA
Atom CA of residue 76
Atom CA of residue 78
Atom CB of residue 21
MET
TYR
Atom CA of residue 64
Atom CA of residue 101
Atom CA of residue 472
Atom CA of residue 378
Atom CA of residue 138
Atom CG of residue 30
Atom CA of residue 154
Atom C of residue 60
PHE
Atom CA of residue 43
Atom CA of residue 2
Atom CA of residue 67
Atom CA of residue 83
Atom O of residue 73
Atom CA of residue 92
Atom CA of residue 81
Atom CA of residue 102
PRO
Atom CA of residue 443
THR
Atom CB of residue 73
ARG
Atom CB of residue 74
LEU
Atom CA of residue 4
Atom NH2 of residue 33
LYS
Atom C of residue 36
Atom CG1 of residue 23
Atom CA of residue 76
Atom O of residue 20
ALA
Atom N of residue 143
Atom OE1 of residue 100
Atom CD of residue 146
Atom OG1 of residue 91
Atom C of residue 530
Atom OG1 of residue 87
MET
Atom N of residue 92
Atom CB of residue 69
Atom O of residue 583
ASP
Atom CA of residue 72
CYS
Atom C of residue 87
Atom CA of residue 115
LYS
ARG
Atom C of residue 5
THR
THR
Atom CG of residue 481
Atom CA of residue 506
THR
LYS
HIS
Atom CA of residue 490
Atom CB of residue 41
Atom CA of residue 140
PRO
Atom N of residue 34
LYS
Atom N of residue 110
GLU
ASN
Atom N of residue 14
Atom OG of residue 435
Atom C of residue 459
Atom C of residue 102
Atom ND1 of residue 79
Atom CD2 of residue 542
PHE
GLY
ASP
Atom OG of residue 126
ASN
ILE
Atom CA of residue 473
Atom CA of residue 66
Atom CA of residue 168
GLY
Atom O of residue 444
LYS
Atom O of residue 60
Atom CG of residue 20
Atom CE2 of residue 137
Atom CA of residue 40
Atom CA of residue 70
Atom CE1 of residue 82
Atom CA of residue 28
Atom CA of residue 539
Atom CA of residue 84
Atom CD1 of residue 562
Fit restraint
Atom CA of residue 86
THR
Atom CB of residue 73
Atom CA of residue 262
GLY
Atom O of residue 5
Atom CA of residue 556
Atom CA of residue 444
Atom CA of residue 117
Atom C of residue 97
Atom CA of residue 335
Atom CA of residue 25
Atom CA of residue 144
Atom CA of residue 47
SER
ALA
MapReaderWriter25
LEU
TRP
Atom C of residue 63
GLU
Atom CA of residue 2637
LEU
Atom OE2 of residue 100
Atom CA of residue 493
Atom CA of residue 2667
Atom CA of residue 159
Atom CA of residue 63
Atom CB of residue 9
LEU
Atom CA of residue 203
Atom OG1 of residue 73
MET
Atom C of residue 115
Atom CA of residue 26
Atom CA of residue 139
Atom O of residue 87
Atom OD1 of residue 462
Atom CD of residue 481
Atom C of residue 506
Atom N of residue 7
ALA
VAL
LYS
Atom CA of residue 117
Atom O of residue 530
Atom C of residue 92
Atom CD of residue 30
Atom CA of residue 40
Atom CG of residue 74
VAL
Atom CB of residue 60
Atom N of residue 543
HIS
Atom CA of residue 79
Atom CA of residue 2666
Atom C of residue 72
Atom C of residue 146
Atom CA of residue 34
Atom CA of residue 62
Atom N of residue 24
Atom CD of residue 21
PHE
Atom CB of residue 444
Atom CA of residue 30
Atom CA of residue 98
Atom CA of residue 2680
Atom CZ of residue 137
Atom N of residue 92
Atom O of residue 36
Atom CA of residue 486
Atom CA of residue 90
Atom CA of residue 36
Atom CG of residue 41
TYR
Atom CA of residue 469
ASP
GLY
ALA
GLN
HIS
Atom O of residue 102
ILE
Atom CE1 of residue 68
Atom O of residue 97
Atom CA of residue 102
Atom CA of residue 2650
Atom CA of residue 29
LEU
Atom CA of residue 7
LEU
Atom CA of residue 568
Atom CA of residue 143
Atom CA of residue 155
GLN
Atom CA of residue 59
PHE
Atom CA of residue 89
GLN
VAL
Atom O of residue 459
Atom CA of residue 26
Atom CG2 of residue 87
Atom OG1 of residue 73
Atom CA of residue 379
PHE
Atom CA of residue 131
Atom CA of residue 279
Atom CB of residue 583
Atom C of residue 34
Atom NH2 of residue 8
Atom CE2 of residue 82
Atom CA of residue 77
Atom N of residue 436
VAL
Atom CD2 of residue 79
Atom OD2 of residue 462
Atom ND1 of residue 20
ASP
ILE
Atom O of residue 63
Atom N of residue 127
ASN
ALA
Atom CA of residue 48
TYR
Atom CA of residue 140
Atom CA of residue 53
GLN
Atom CB of residue 36
ARG
ASN
Atom CB of residue 5
Atom CD2 of residue 562
Atom O of residue 115
ASN
Atom CG of residue 69
Atom CA of residue 110
Atom CA of residue 474
Atom CG2 of residue 23
Atom CG of residue 444
ILE
ARG
Atom OH of residue 137
ALA
Atom C of residue 13
Atom CE of residue 481
VAL
Atom O of residue 92
Atom CA of residue 519
Atom CA of residue 71
Atom O of residue 34
Atom O of residue 506
Atom O of residue 76
VAL
Atom CA of residue 491
LYS
VAL
MET
Atom CB of residue 530
ASP
Atom CE of residue 30
Atom CD of residue 74
ALA
VAL
GLU
Atom CB of residue 87
Atom CB of residue 459
Atom CA of residue 13
Atom CA of residue 23
SER
Atom CA of residue 67
PHE
LEU
Atom CA of residue 43
Atom C of residue 143
ALA
Atom C of residue 53
LYS
Atom CA of residue 169
Atom O of residue 115
THR
Atom CA of residue 64
PRO
Atom CA of residue 30
Atom CA of residue 557
Atom CZ of residue 82
Atom CB of residue 102
Atom CA of residue 145
PRO
ASP
Atom N of residue 88
LYS
Atom O of residue 72
Atom CA of residue 27
PHE
Atom CE2 of residue 68
Atom CA of residue 449
Atom CA of residue 2668
rigid bodies list
Atom CA of residue 540
Atom CA of residue 69
Atom OG1 of residue 583
Atom CA of residue 543
ARG
Atom CA of residue 87
Atom N of residue 9
Atom CA of residue 2667
Atom CA of residue 118
Atom CB of residue 63
Atom CA of residue 58
Atom CD1 of residue 41
GLU
Atom CD of residue 69
PHE
PHE
Atom CG2 of residue 73
NullModifier5
LYS
Atom CG of residue 60
Atom CA of residue 155
Atom CA of residue 14
Atom CA of residue 204
Atom CA of residue 533
Atom O of residue 53
Atom N of residue 101
GLU
GLY
GLN
THR
Atom CG of residue 459
Atom CA of residue 118
PRO
TRP
Atom CE of residue 74
Atom CA of residue 5
Atom CA of residue 49
Atom CB of residue 72
Atom N of residue 116
Atom CA of residue 2663
ALA
Atom CA of residue 520
Atom CA of residue 2651
THR
ASN
Atom CA of residue 30
Atom N of residue 463
Atom CA of residue 24
Atom CA of residue 157
ALA
Atom CA of residue 333
Atom N of residue 138
Atom NZ of residue 481
Atom CA of residue 80
python stream rigid body rigid body positions
Atom CB of residue 506
Atom CD2 of residue 20
Atom CA of residue 487
PHE
Atom CA of residue 170
AccumulateRigidBodyDerivatives10
Atom CA of residue 470
Atom C of residue 110
Atom CE1 of residue 562
Atom NZ of residue 30
Atom N of residue 83
Atom CG of residue 36
ARG
Atom CA of residue 87
Atom CB of residue 97
Atom CA of residue 63
ASP
Atom CA of residue 569
Atom CA of residue 441
ARG
Atom O of residue 143
Atom CA of residue 2681
Atom CA of residue 60
Atom CZ of residue 68
PRO
VAL
Atom NH2 of residue 33
Atom CD of residue 444
Atom CA of residue 12
Atom CB of residue 34
MET
PHE
Atom CA of residue 53
Atom CA of residue 31
ASP
Atom CA of residue 280
ARG
Atom CA of residue 17
Atom C of residue 543
LEU
GLU
Atom N of residue 70
Atom CB of residue 53
Atom CA of residue 101
Atom CA of residue 78
Atom CA of residue 380
SER
Atom N of residue 74
GLU
Atom CE1 of residue 79
VAL
Atom CA of residue 59
GLN
HIS
Atom CA of residue 10
Atom CA of residue 141
Atom N of residue 73
Atom CA of residue 76
python stream
Atom CG2 of residue 73
VAL
LEU
VAL
ALA
GLU
Atom C of residue 14
DensityMap16
ARG
Atom CA of residue 91
Atom CA of residue 492
ARG
Atom CA of residue 45
VAL
MET
Atom O of residue 571
THR
Atom CA of residue 127
HIS
Atom CG of residue 530
LYS
Atom CA of residue 116
Atom C of residue 12
LEU
Atom CG2 of residue 583
LEU
THR
Atom CA of residue 71
Atom CB of residue 148
ALA
Atom CG of residue 34
ALA
VAL
Atom O of residue 110
Atom CA of residue 490
CYS
Atom OH of residue 68
Atom N of residue 34
Atom CD of residue 60
Atom OG of residue 506
THR
Atom N of residue 571
ILE
Atom CG1 of residue 97
ILE
Chain D
python stream rigid body
Atom CA of residue 2663
Atom CA of residue 132
GLU
Atom CA of residue 43
ALA
Atom CA of residue 88
LEU
Atom CA of residue 37
ASN
Atom CA of residue 406
LEU
Atom CA of residue 65
ALA
Atom NZ of residue 74
Atom CG of residue 102
GLU
VAL
Atom CB of residue 76
Atom CA of residue 43
LYS
Atom CB of residue 143
ARG
LYS
Atom CA of residue 436
Atom CA of residue 73
Atom CA of residue 171
Atom OE1 of residue 444
CYS
PRO
Atom CA of residue 541
Atom CB of residue 20
Atom CE2 of residue 562
LYS
Atom CA of residue 60
GLU
Atom CA of residue 72
Atom CA of residue 28
Atom O of residue 543
Atom CA of residue 558
Atom N of residue 74
Atom CA of residue 119
Atom CD of residue 459
SER
Atom O of residue 14
Atom CB of residue 92
GLY
Atom CA of residue 156
Atom CA of residue 471
Atom CA of residue 92
Atom CA of residue 2668
GLN
PRO
ILE
Atom CA of residue 44
Atom N of residue 482
Atom CB of residue 13
ASP
Atom CA of residue 2669
Atom N of residue 584
Atom CA of residue 205
Atom C of residue 127
ALA
Atom CD of residue 530
PHE
LEU
python stream rigid body
Atom NE2 of residue 79
Atom CA of residue 90
ASP
ILE
Atom N of residue 49
ILE
Atom CA of residue 282
Atom CA of residue 491
Atom CA of residue 138
Atom N of residue 69
Atom CA of residue 89
LEU
Atom CA of residue 534
LEU
Atom CA of residue 2652
Atom CA of residue 488
Atom CA of residue 50
Atom CA of residue 471
ARG
Atom SD of residue 36
Atom CA of residue 81
LYS
THR
Atom CG of residue 53
ALA
Atom CA of residue 23
Atom C of residue 436
Atom CA of residue 74
Atom CA of residue 2664
Atom OD1 of residue 102
HIS
Atom CA of residue 64
Atom CA of residue 135
Atom N of residue 507
GLN
Atom CG1 of residue 148
Atom CA of residue 83
Atom CD1 of residue 34
Atom CA of residue 2682
Atom CB of residue 110
Atom CA of residue 119
VAL
ALA
Atom CA of residue 44
Atom CA of residue 15
Atom CZ of residue 562
Atom CB of residue 14
Atom CA of residue 88
PRO
Atom CA of residue 11
LEU
ILE
Atom CA of residue 117
Atom OE1 of residue 459
Atom CB of residue 49
Atom CA of residue 61
Atom NE of residue 60
ALA
SER
Atom CA of residue 570
Atom CA of residue 32
MET
Atom CA of residue 142
Atom CA of residue 61
MapReaderWriter11
ASP
Atom CG of residue 13
Atom CA of residue 381
LEU
GLU
Atom CA of residue 445
VAL
PRO
Atom O of residue 127
Atom CA of residue 33
LEU
DensityMap2
Atom CE of residue 530
Model 19
Atom N of residue 80
Atom CA of residue 79
Atom CG1 of residue 92
Atom C of residue 116
LEU
LYS
Atom CA of residue 61
Atom CA of residue 283
GLN
ASN
Atom CA of residue 172
LEU
Atom CA of residue 463
Atom CA of residue 408
Atom CA of residue 23
Atom CA of residue 493
Atom CG2 of residue 436
Atom CA of residue 584
SER
Atom CE of residue 36
SER
ARG
Atom CA of residue 2643
LEU
Atom C of residue 24
Atom CA of residue 74
Atom CG2 of residue 97
PRO
VAL
Atom OD2 of residue 102
Atom CA of residue 2664
Atom CB of residue 8
TYR
SER
Atom CA of residue 70
ARG
Atom C of residue 88
Atom CA of residue 69
Atom OE2 of residue 444
Atom C of residue 138
Atom N of residue 563
Atom O of residue 23
Atom CA of residue 13
GLY
Atom CA of residue 46
Atom CZ of residue 60
Atom CA of residue 2629
Atom CD2 of residue 34
PHE
GLY
Atom CA of residue 38
Atom CA of residue 34
Atom CA of residue 62
Atom CA of residue 9
LYS
LYS
Atom CA of residue 490
Atom C of residue 74
LEU
python stream
Chain A
PHE
Atom CB of residue 543
Atom CA of residue 130
LEU
Atom CA of residue 89
ARG
VAL
ARG
Atom CA of residue 482
Atom CD of residue 13
Atom CA of residue 62
Atom CG of residue 143
PHE
LEU
Atom CA of residue 285
Atom C of residue 92
Atom C of residue 101
Atom O of residue 18
PHE
Atom CA of residue 135
Atom CA of residue 559
Atom N of residue 117
Atom CA of residue 33
LEU
ARG
Atom CA of residue 136
GLU
Atom C of residue 13
Atom CA of residue 51
Atom CD1 of residue 53
Atom CA of residue 70
Atom CA of residue 18
Atom CA of residue 21
Atom CA of residue 521
Atom N of residue 35
Atom CG of residue 110
Atom C of residue 463
Atom CA of residue 85
ALA
Atom CA of residue 2670
Atom C of residue 83
Atom CA of residue 542
Atom N of residue 37
PRO
THR
Atom CA of residue 2669
Atom CA of residue 173
PHE
Atom NZ of residue 530
GLN
Atom C of residue 74
Atom CA of residue 120
Atom N of residue 98
MapReaderWriter27
Atom CA of residue 236
Atom N of residue 103
Atom CA of residue 206
Atom CG of residue 49
MET
Atom O of residue 116
ARG
Atom CA of residue 50
Atom C of residue 70
Atom CA of residue 120
Atom CA of residue 45
Atom O of residue 88
Atom CA of residue 535
Atom O of residue 570
Atom CA of residue 54
Atom CA of residue 66
GLU
Atom O of residue 101
VAL
Atom N of residue 24
Atom CA of residue 49
PRO
Atom CA of residue 472
Atom C of residue 34
Atom CA of residue 149
Atom CA of residue 2653
1tyq_D.pdb
Atom O of residue 24
Atom CA of residue 491
Atom CA of residue 2665
GLY
GLU
PRO
Atom CA of residue 82
Atom NH1 of residue 13
PRO
PRO
Atom CA of residue 6
GLY
Atom CA of residue 29
ARG
Atom CA of residue 9
Atom CD of residue 143
Atom CA of residue 286
Atom CA of residue 507
Atom O of residue 138
Atom CA of residue 24
Atom CA of residue 131
Atom O of residue 92
Atom CB of residue 127
Atom NE2 of residue 459
Atom CA of residue 148
Atom CD of residue 8
THR
VAL
Atom CA of residue 6
Atom CA of residue 63
ASP
Atom OG1 of residue 8
Atom O of residue 74
ASP
Atom CA of residue 284
Atom CA of residue 65
Atom CA of residue 571
PRO
Atom N of residue 445
Atom CA of residue 2683
Atom CA of residue 143
Atom CA of residue 62
LEU
Atom C of residue 482
Atom N of residue 437
Atom CA of residue 73
LEU
ASN
GLU
GLU
Atom CG of residue 88
LEU
Atom CA of residue 63
GLY
Atom CB of residue 61
Atom CB of residue 101
ASP
Atom CA of residue 80
GLU
ASP
Atom CG of residue 543
ALA
VAL
ARG
GLU
Atom CA of residue 80
Atom CD of residue 110
VAL
Atom O of residue 463
Atom CA of residue 382
Atom CA of residue 494
LEU
Atom C of residue 49
LEU
Atom O of residue 34
GLU
Atom CA of residue 156
PRO
GLY
Atom O of residue 74
LEU
VAL
Atom CG of residue 9
Atom CD of residue 49
Atom CB of residue 116
GLY
Atom O of residue 70
Atom CA of residue 35
LEU
PRO
Atom CA of residue 39
Atom OE1 of residue 143
PHE
Atom CA of residue 2665
LEU
ARG
Atom CA of residue 4
Atom CA of residue 174
Atom CA of residue 570
ASP
Atom CA of residue 47
Atom CA of residue 20
Atom NH1 of residue 60
LEU
Atom CA of residue 2644
Atom CG2 of residue 8
Atom CB of residue 24
Atom CA of residue 563
Atom O of residue 83
Atom CA of residue 69
SER
Atom CA of residue 47
HIS
Atom CA of residue 64
LYS
MET
LYS
GLU
Atom NE of residue 8
Atom CB of residue 138
Atom CA of residue 90
Atom NH2 of residue 13
Atom CG of residue 127
Atom CA of residue 136
GLU
Atom O of residue 482
Atom CD2 of residue 53
MET
Atom C of residue 73
VAL
Atom C of residue 507
Atom OD1 of residue 543
Atom CA of residue 86
Atom CG2 of residue 91
Atom CB of residue 34
Atom CA of residue 5
GLY
Atom CA of residue 77
ALA
ARG
Atom C of residue 80
Atom CB of residue 463
Atom CA of residue 132
VAL
PHE
Atom N of residue 460
Atom O of residue 49
Atom CA of residue 284
Atom CA of residue 543
Atom CA of residue 68
LEU
Atom OD1 of residue 88
Atom CA of residue 493
Atom CA of residue 560
Atom CA of residue 121
PHE
Atom CA of residue 31
THR
Atom CA of residue 37
Atom N of residue 531
MET
Atom CA of residue 2670
Atom CG2 of residue 116
Atom CB of residue 83
GLU
Atom CA of residue 81
Atom CB of residue 74
Atom CA of residue 522
Atom CA of residue 207
Atom CA of residue 2671
Atom CA of residue 51
Atom N of residue 54
Atom CA of residue 121
Atom N of residue 9
ARG
Atom OG1 of residue 24
Atom O of residue 73
Atom NH2 of residue 60
Atom C of residue 584
GLN
Atom CB of residue 74
Atom CA of residue 8
GLU
Atom CD1 of residue 9
LEU
Atom C of residue 445
GLY
Atom CA of residue 2654
Atom CB of residue 70
Atom C of residue 35
Atom CA of residue 517
Atom CA of residue 536
Atom CA of residue 55
Atom CA of residue 22
Atom OE2 of residue 143
Atom CA of residue 72
ASN
Atom C of residue 69
Atom CA of residue 9
SER
Atom CA of residue 65
Atom CA of residue 46
ILE
ASP
Atom C of residue 23
Atom CB of residue 49
Atom CA of residue 2666
ASP
GLY
LYS
Atom N of residue 12
Atom CA of residue 44
Atom CA of residue 19
Atom CA of residue 245
Atom CA of residue 103
Atom N of residue 102
Atom CA of residue 2684
GLU
Atom O of residue 80
Atom CA of residue 144
Atom N of residue 75
Atom CA of residue 175
GLN
LYS
Atom CE of residue 110
VAL
Atom CA of residue 98
Atom CA of residue 285
Atom O of residue 507
Atom CA of residue 133
LEU
Atom CB of residue 482
ALA
Atom O of residue 584
Atom CA of residue 137
Atom C of residue 37
ALA
Atom CA of residue 83
Atom CG of residue 83
GLY
Atom CA of residue 74
ASN
Atom ND2 of residue 543
Atom C of residue 563
Atom CA of residue 572
Atom CA of residue 92
Atom OE1 of residue 49
Atom CB of residue 73
Atom CA of residue 63
ILE
ASN
Atom CA of residue 495
GLU
Atom CA of residue 474
Atom OD2 of residue 6
Atom O of residue 69
GLY
PRO
NormalizeRotation7
LEU
LYS
Atom CD of residue 127
Atom CA of residue 260
Atom O of residue 35
Atom CA of residue 81
Atom CA of residue 281
LYS
Atom N of residue 42
Atom CA of residue 37
Atom C of residue 98
TYR
Atom CG1 of residue 116
VAL
Atom CA of residue 64
ALA
ALA
CYS
Atom CA of residue 54
Atom OG1 of residue 463
Atom CA of residue 524
Atom CA of residue 48
Atom N of residue 61
Atom CA of residue 2645
Atom CA of residue 2666
ASP
LYS
Atom CA of residue 24
Atom CA of residue 10
LEU
Atom CA of residue 7
ASN
Atom CA of residue 150
Atom CD2 of residue 9
Atom CA of residue 383
Atom ND2 of residue 40
GLU
Atom OG of residue 70
Atom C of residue 103
ILE
TYR
Atom N of residue 25
VAL
Atom CB of residue 584
Atom NZ of residue 110
GLU
Atom CA of residue 48
Atom CG of residue 34
Atom CA of residue 48
Atom SG of residue 138
Atom CA of residue 69
Atom N of residue 44
Atom OG1 of residue 73
PHE
LEU
Atom O of residue 37
Atom CA of residue 531
MET
Atom CA of residue 91
GLU
Atom CA of residue 65
ALA
Atom CB of residue 69
SER
Atom OE2 of residue 49
ASP
Atom CA of residue 518
Atom CA of residue 287
Atom O of residue 10
LEU
ALA
ASP
ARG
Atom CA of residue 460
Atom CA of residue 2668
LYS
Atom CA of residue 40
LEU
LEU
Atom CB of residue 507
GLY
Atom CA of residue 561
Atom N of residue 128
Atom OE1 of residue 11
VAL
Atom CA of residue 32
ASN
GLY
Atom O of residue 436
PRO
Atom N of residue 544
GLU
Atom O of residue 98
Atom N of residue 50
ALA
Atom CG of residue 13
Atom CA of residue 2672
Atom O of residue 445
LYS
ARG
Atom CA of residue 286
Atom CA of residue 544
Atom CG2 of residue 463
MET
Atom CA of residue 525
SER
Atom CA of residue 208
MET
Atom CG of residue 482
Atom CA of residue 122
Atom CA of residue 122
ALA
Atom N of residue 75
Atom CA of residue 53
Atom N of residue 41
Atom CA of residue 131
Atom CB of residue 80
Atom CG2 of residue 24
Atom CA of residue 82
MET
Atom CA of residue 537
Atom CA of residue 75
Atom CA of residue 56
PHE
Atom CA of residue 8
Atom CG of residue 584
LYS
Atom CA of residue 73
Atom OD2 of residue 88
Atom N of residue 144
ALA
LYS
Atom N of residue 139
Atom CA of residue 38
Atom O of residue 563
ALA
Atom N of residue 71
TYR
Atom CA of residue 138
Atom C of residue 531
Atom CA of residue 103
P0
Atom CA of residue 84
Atom CA of residue 2671
Atom CA of residue 45
Atom CB of residue 10
PRO
Atom CG of residue 69
Atom N of residue 62
ARG
Atom CA of residue 49
Atom O of residue 103
Atom CB of residue 35
Atom CA of residue 289
HIS
Atom CA of residue 145
ASP
Atom NE of residue 8
Atom C of residue 460
Atom CA of residue 2669
Atom ND1 of residue 83
ASN
Atom CA of residue 7
Atom CA of residue 475
LEU
Atom CB of residue 98
ASN
PHE
Atom CD1 of residue 116
Atom CA of residue 489
Atom CA of residue 15
LYS
Atom CA of residue 2655
Atom CA of residue 66
Atom CA of residue 573
Atom CA of residue 50
Atom CA of residue 2685
Atom N of residue 111
Atom CA of residue 64
ALA
Atom CA of residue 6
Atom CA of residue 496
LYS
Atom CA of residue 246
HIS
Atom N of residue 89
Atom CB of residue 436
Atom CA of residue 75
Atom CB of residue 563
Atom CD1 of residue 34
GLU
Atom CA of residue 82
VAL
Atom N of residue 50
Atom CA of residue 384
GLU
Atom CG2 of residue 73
Atom CA of residue 42
Atom CA of residue 66
Atom CB of residue 445
TYR
Atom CA of residue 544
GLU
THR
LEU
LYS
GLU
Atom CA of residue 54
TYR
Atom CA of residue 42
GLN
Atom CA of residue 129
SER
Atom CG of residue 507
Atom CB of residue 37
Atom CA of residue 67
TYR
GLY
VAL
LYS
Atom CG of residue 35
GLU
Atom CA of residue 151
PRO
Atom NE2 of residue 11
Atom CA of residue 290
Atom CA of residue 2667
Atom CG of residue 80
GLU
Atom CA of residue 25
LEU
Atom CA of residue 41
Atom C of residue 75
Atom O of residue 460
Atom CA of residue 287
ARG
GLY
PRO
Atom CA of residue 152
Atom CA of residue 49
Atom CA of residue 102
DensityMap1070
Atom N of residue 117
SER
Atom CA of residue 2662
Atom O of residue 531
Atom N of residue 464
ALA
Atom C of residue 15
GLU
Atom C of residue 6
ILE
ALA
Atom CA of residue 44
Atom OE1 of residue 11
Atom CA of residue 26
Atom CB of residue 103
ASN
GLN
Atom OG1 of residue 7
Atom CA of residue 2632
ALA
LYS
Atom CD2 of residue 83
Atom CA of residue 69
Atom CD1 of residue 584
Atom CD of residue 35
Atom CA of residue 17
Atom CG1 of residue 563
CYS
ALA
PHE
Atom OD1 of residue 482
Atom CA of residue 75
ARG
GLN
mol_2 rigid body
TYR
Atom CA of residue 25
Atom CA of residue 74
VAL
Atom CA of residue 128
HIS
Atom C of residue 54
Atom C of residue 102
HIS
Atom CD of residue 69
THR
Atom CA of residue 49
Atom CA of residue 144
ASN
Atom CA of residue 545
Atom C of residue 42
Atom CA of residue 139
ILE
MET
Atom OG1 of residue 436
Atom CA of residue 562
Atom CA of residue 432
Atom CA of residue 92
Atom CA of residue 2672
Atom CA of residue 123
Atom CB of residue 460
LEU
Atom CA of residue 526
Atom CA of residue 88
Atom CA of residue 209
THR
GLU
Atom OE1 of residue 35
Atom CA of residue 74
Atom CA of residue 123
Atom CA of residue 2673
SER
GLN
Atom CG of residue 37
SER
Atom N of residue 74
Atom CA of residue 55
Atom NH1 of residue 8
Atom CA of residue 2656
Atom CA of residue 2646
ALA
TYR
Atom CA of residue 12
Atom CA of residue 71
LYS
Atom CA of residue 146
Atom CA of residue 111
Atom CG2 of residue 7
Atom CA of residue 538
Atom CA of residue 57
ASP
Atom CA of residue 46
Atom CA of residue 207
Atom O of residue 15
Atom CA of residue 85
Atom CB of residue 6
ASN
Atom CA of residue 85
Atom CD2 of residue 34
Atom CA of residue 2670
Atom CG of residue 445
SER
Atom CB of residue 531
Atom CA of residue 104
Atom CA of residue 59
Atom OD2 of residue 482
LYS
Atom CA of residue 50
VAL
Atom CA of residue 133
THR
Atom OE2 of residue 35
Atom CA of residue 473
PRO
Atom CG of residue 98
Atom CA of residue 2686
Atom CA of residue 288
Atom C of residue 544
GLN
Atom CA of residue 497
Atom C of residue 144
Atom O of residue 102
Atom CD of residue 80
Atom CA of residue 89
ARG
Atom O of residue 42
Atom CA of residue 129
ASP
PHE
Atom CA of residue 247
Atom O of residue 54
Atom CD1 of residue 507
Atom C of residue 75
Atom CA of residue 523
Atom CA of residue 291
VAL
ASP
MET
Atom CA of residue 574
Atom CA of residue 76
ALA
Atom CA of residue 65
Atom N of residue 70
Atom N of residue 35
Atom CA of residue 385
Atom C of residue 44
PRO
ASP
LYS
TYR
GLU
THR
GLU
Atom CD2 of residue 584
ALA
ALA
Atom N of residue 8
ARG
Atom CA of residue 83
Atom C of residue 50
Atom CA of residue 69
ARG
LYS
Atom CA of residue 42
PRO
ALA
Atom CA of residue 208
Atom CA of residue 11
Atom C of residue 128
GLN
Atom CE1 of residue 83
Atom CA of residue 153
Atom CB of residue 54
GLY
ALA
Atom CA of residue 2667
Atom CD1 of residue 474
TRP
LYS
Atom N of residue 483
Atom O of residue 75
Atom CA of residue 462
ASP
THR
P1
Atom CB of residue 102
PHE
Atom CA of residue 152
Atom CB of residue 42
Atom CG2 of residue 563
TRP
Atom CA of residue 496
LEU
Atom CA of residue 56
LEU
Atom CG of residue 103
PRO
Atom CA of residue 454
Atom NE of residue 80
Atom CD1 of residue 6
Atom C of residue 25
Atom CA of residue 93
LEU
Atom C of residue 71
GLY
Atom CD2 of residue 507
Atom C of residue 139
Atom C of residue 50
Atom CA of residue 15
Atom CA of residue 2668
Atom OD1 of residue 37
SER
Atom CG of residue 460
GLU
PRO
Atom O of residue 544
Atom CA of residue 70
Atom CA of residue 2633
Atom CA of residue 134
TYR
Atom O of residue 144
Atom CA of residue 67
Atom CD of residue 445
Atom CA of residue 100
THR
LEU
Atom CA of residue 563
THR
TYR
GLU
Atom ND1 of residue 98
TYR
Atom CG1 of residue 54
Atom C of residue 62
SER
Atom CA of residue 89
Atom CA of residue 2673
PRO
Atom CA of residue 75
Atom CA of residue 35
Atom CA of residue 2674
Atom CA of residue 117
Atom O of residue 147
TRP
Atom CA of residue 546
Atom CA of residue 57
Atom CA of residue 210
Atom CA of residue 60
THR
ALA
Atom CA of residue 124
Atom CA of residue 463
Atom CA of residue 2647
ALA
ALA
Atom CA of residue 147
Atom O of residue 75
Atom CA of residue 539
ALA
Atom CA of residue 58
ARG
Atom CA of residue 2657
Atom CD of residue 103
Atom NH2 of residue 80
SER
Atom CA of residue 142
Atom C of residue 111
Atom O of residue 25
Atom CD2 of residue 474
Atom CA of residue 455
Atom CE1 of residue 507
Atom O of residue 139
Atom CA of residue 105
GLU
Atom CA of residue 457
Atom O of residue 44
Atom CB of residue 75
Atom N of residue 36
Atom CA of residue 474
Atom ND2 of residue 37
Atom N of residue 532
Atom N of residue 564
ARG
TYR
Atom CA of residue 70
Atom CA of residue 124
Atom C of residue 496
Atom O of residue 50
LEU
Atom CA of residue 498
Atom NE2 of residue 83
Atom O of residue 71
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.mrc
P2
Atom OG1 of residue 14
GLU
GLU
GLU
Atom O of residue 128
ILE
Atom CA of residue 575
Atom CA of residue 52
ASP
python stream rigid body rigid body positions
Atom CA of residue 248
Atom CA of residue 2687
Atom CB of residue 544
VAL
Atom N of residue 10
Atom O of residue 50
Atom C of residue 117
Atom CB of residue 144
VAL
VAL
ILE
Atom CE of residue 445
ASP
GLN
PHE
Atom CA of residue 386
ASN
Atom CA of residue 135
Atom CA of residue 77
Atom N of residue 585
Atom CA of residue 2648
Atom CG of residue 102
Atom CB of residue 88
Atom CA of residue 8
Atom CA of residue 83
Atom CA of residue 84
Atom CB of residue 44
ASP
LYS
PHE
ARG
Atom CB of residue 25
Atom CB of residue 75
Atom NE of residue 103
Atom N of residue 81
Atom CG of residue 42
Atom CD of residue 460
PRO
Atom CA of residue 154
Atom CA of residue 143
Atom O of residue 111
SER
ASP
Atom CA of residue 57
ASN
Atom CB of residue 139
LEU
Atom CA of residue 483
LEU
SER
UpdateRigidBodyMembers5
Atom CA of residue 69
Atom CA of residue 2669
Atom CA of residue 153
Atom N of residue 38
ILE
Atom CA of residue 564
PHE
Atom CB of residue 128
THR
Atom CA of residue 129
GLU
Atom C of residue 464
Atom CA of residue 58
Atom CA of residue 458
Atom CA of residue 43
MET
Atom C of residue 74
Atom N of residue 84
GLU
Atom CD2 of residue 98
PHE
Atom N of residue 475
Atom OE1 of residue 571
Atom CA of residue 15
Atom CG1 of residue 75
Atom N of residue 51
Atom CG2 of residue 54
Atom CA of residue 94
LEU
LYS
LYS
ALA
Atom CA of residue 31
Atom CB of residue 50
ARG
Atom CB of residue 71
THR
Atom CA of residue 9
VAL
PHE
Atom CA of residue 464
TYR
Atom CA of residue 2649
Atom CA of residue 36
VAL
Atom CA of residue 137
Atom N of residue 45
Atom CA of residue 101
Atom CA of residue 90
Atom CB of residue 111
PRO
LEU
THR
SER
VAL
Atom CA of residue 547
Atom C of residue 15
GLY
Atom C of residue 70
GLU
Atom CA of residue 2674
Atom CA of residue 446
Atom CA of residue 288
Atom CE2 of residue 507
Atom O of residue 464
Atom CA of residue 61
Atom CA of residue 564
SER
Atom CA of residue 125
Atom CE1 of residue 98
VAL
PRO
Atom CA of residue 532
Atom CA of residue 211
ALA
Atom CA of residue 58
Atom CG of residue 128
Atom OE1 of residue 460
Atom CA of residue 77
SER
Atom CA of residue 148
Atom CA of residue 125
Atom CA of residue 40
Atom CG of residue 25
THR
Atom CG1 of residue 75
HIS
Atom CA of residue 2634
ALA
PRO
Atom CZ of residue 103
Atom CA of residue 2675
Atom O of residue 74
Atom CB of residue 508
LEU
LYS
Atom CA of residue 2658
Atom CA of residue 83
Atom C of residue 483
THR
GLU
Atom CA of residue 38
THR
Atom CA of residue 30
Atom CA of residue 475
Atom OD1 of residue 102
Atom CA of residue 217
Atom CA of residue 540
Atom CA of residue 499
Atom CA of residue 59
Atom CE3 of residue 16
LYS
Atom N of residue 55
PRO
Atom CD of residue 42
Atom CA of residue 459
Atom CA of residue 2650
Atom CG of residue 139
Atom CB of residue 464
Atom CA of residue 106
Atom CA of residue 129
Atom NZ of residue 445
ILE
ILE
Atom C of residue 35
Atom C of residue 36
Atom CA of residue 2688
Atom CA of residue 81
Atom O of residue 15
Atom CG of residue 544
GLN
/scratch/nightly-build-21548/imp-SVN.r14111/modules/em/test/input/in.mrc
Model 35
GLY
Atom CA of residue 249
Atom CG of residue 144
ALA
Atom C of residue 40
THR
Atom CA of residue 98
VAL
ASP
Atom C of residue 532
TYR
Atom CA of residue 35
ARG
Atom CA of residue 45
VAL
GLN
Atom C of residue 564
Atom CA of residue 576
Atom CA of residue 387
ARG
Atom CA of residue 585
GLU
LEU
Atom CG of residue 50
ILE
GLU
GLN
Atom CA of residue 48
Atom CA of residue 155
Atom OG of residue 71
Atom CA of residue 566
Atom CA of residue 456
ASP
PHE
Atom C of residue 9
Atom CA of residue 131
GLU
Atom O of residue 36
THR
Atom CG of residue 111
ILE
GLY
Atom CA of residue 84
Atom CA of residue 44
MET
GLN
ASP
Atom CA of residue 2670
TYR
Atom CD of residue 25
GLY
Atom CA of residue 59
VAL
LYS
Atom CA of residue 84
PHE
HIS
HIS
ASP
Atom N of residue 571
LYS
Atom CB of residue 15
Atom CA of residue 154
Atom CZ of residue 507
Atom CA of residue 17
Atom CG2 of residue 75
Atom C of residue 81
Atom CA of residue 78
ILE
LEU
ILE
Atom CA of residue 51
Atom ND1 of residue 544
Atom OG of residue 464
Atom O of residue 70
Atom CA of residue 95
Atom CA of residue 79
Atom CD1 of residue 144
Atom NE of residue 115
Atom CB of residue 36
Atom O of residue 40
Atom CA of residue 80
GLU
Atom O of residue 35
Atom CA of residue 2636
Atom CG of residue 508
LEU
Atom CA of residue 138
Atom CD of residue 139
Atom CA of residue 62
Atom O of residue 483
GLU
Atom CA of residue 99
Atom CA of residue 91
ALA
PRO
Atom C of residue 585
Atom OE1 of residue 42
Atom CZ2 of residue 16
Atom CD2 of residue 128
LEU
LYS
Atom C of residue 566
ALA
Atom NE2 of residue 460
VAL
Atom CA of residue 565
Atom N of residue 446
Atom CA of residue 457
Atom CA of residue 2675
SER
ASP
Atom CG of residue 36
Atom CA of residue 212
TYR
Atom CD of residue 35
Atom CA of residue 454
Atom CG of residue 9
Atom CA of residue 2676
Atom CB of residue 74
Atom CA of residue 461
ILE
Atom NH1 of residue 103
Atom CA of residue 548
Atom CA of residue 126
Atom C of residue 84
Atom CG1 of residue 15
LEU
Atom CA of residue 126
Atom OD2 of residue 102
LYS
Atom CA of residue 23
Atom NE2 of residue 98
Atom N of residue 76
Atom CA of residue 78
Atom CA of residue 2659
Atom CD of residue 111
Atom CA of residue 218
Atom CB of residue 40
Atom CA of residue 407
Atom CA of residue 87
Atom CG2 of residue 75
Atom CA of residue 541
Atom CA of residue 500
Atom CA of residue 60
Atom CA of residue 134
Atom CA of residue 145
Atom CA of residue 79
Atom CD2 of residue 544
Atom CD2 of residue 144
ILE
GLU
Atom OE2 of residue 42
Atom CA of residue 107
Atom CA of residue 60
Atom CB of residue 70
THR
Atom CA of residue 131
Atom CA of residue 31
GLN
Atom O of residue 585
UpdateRigidBodyMembers12
Atom CA of residue 81
Atom O of residue 532
Atom CA of residue 2637
Atom O of residue 51
Atom CA of residue 106
MET
Atom O of residue 564
THR
Atom O of residue 566
Atom CD of residue 50
Atom CE1 of residue 128
Atom CB of residue 567
Atom N of residue 72
Atom N of residue 103
GLY
Atom N of residue 465
Atom CA of residue 99
LEU
Atom C of residue 475
CYS
LEU
Atom CB of residue 483
THR
Atom CA of residue 2651
Atom CA of residue 577
Atom CA of residue 18
Atom CA of residue 2689
LYS
Atom CZ3 of residue 16
Atom CD1 of residue 9
ASP
Atom CA of residue 2652
Atom CA of residue 49
Atom NH2 of residue 103
GLN
Atom O of residue 84
ARG
Atom CA of residue 168
Atom CA of residue 36
GLN
THR
Atom CA of residue 84
Atom CZ of residue 80
MET
Atom N of residue 75
PRO
ALA
ASP
Atom OG1 of residue 40
VAL
Atom CA of residue 388
Atom N of residue 99
LYS
Atom CA of residue 78
Atom CD of residue 36
Atom CA of residue 146
Atom CE1 of residue 544
Atom N of residue 76
Atom OE1 of residue 35
ARG
Atom N of residue 461
Atom CA of residue 83
Atom CG2 of residue 14
PRO
TYR
Atom CA of residue 2671
Atom CB of residue 585
Atom C of residue 43
ILE
Atom CA of residue 458
ALA
Atom CA of residue 132
ARG
THR
LYS
Atom CA of residue 453
GLN
Atom CA of residue 155
Atom OE1 of residue 139
Atom CA of residue 13
ASN
Atom CA of residue 55
GLU
Atom C of residue 38
Atom CB of residue 532
VAL
Atom CA of residue 45
Atom CA of residue 63
VAL
GLU
Atom NE of residue 50
Atom CE2 of residue 128
PRO
Atom CE1 of residue 144
ARG
ILE
Atom CA of residue 100
Atom CA of residue 108
ILE
Atom CA of residue 96
VAL
GLU
Atom CB of residue 564
Atom CB of residue 84
TYR
Atom N of residue 104
Atom CA of residue 20
Atom O of residue 475
ALA
MET
ILE
GLU
ASP
ARG
PRO
Atom CA of residue 26
Atom CG of residue 483
MET
Atom CA of residue 76
LYS
THR
GLU
CYS
ALA
Atom OE1 of residue 36
Atom CA of residue 92
ALA
mol_0 rigid body rigid body positions
Atom OE1 of residue 111
Atom N of residue 15
Atom O of residue 38
Atom O of residue 43
Atom CD2 of residue 9
Atom CA of residue 2677
ASP
VAL
Atom CA of residue 549
Atom C of residue 446
Atom C of residue 55
PRO
ARG
Atom CA of residue 566
Atom CA of residue 213
Atom CA of residue 127
Atom CA of residue 127
ALA
Atom NE2 of residue 139
Atom C of residue 10
GLU
VAL
Atom CA of residue 219
Atom CG1 of residue 532
Atom OG of residue 70
LYS
ASP
Atom CA of residue 501
Atom CA of residue 61
SER
THR
Atom CB of residue 566
Atom OE2 of residue 35
Atom CZ of residue 50
Atom C of residue 45
Atom CA of residue 72
PHE
Atom CA of residue 409
Atom CA of residue 88
GLU
GLU
ILE
Atom CA of residue 2676
Atom CA of residue 148
Atom CA of residue 52
LEU
Atom CB of residue 51
Atom CA of residue 32
Atom CA of residue 159
PRO
Atom CA of residue 542
Atom CZ of residue 128
Atom CA of residue 61
Atom CA of residue 76
AccumulateRigidBodyDerivatives4
Atom CA of residue 68
Atom NE2 of residue 36
Atom CA of residue 85
Atom NH1 of residue 80
Atom CB of residue 38
PHE
Atom CA of residue 108
GLU
Atom CA of residue 81
Atom CA of residue 461
Atom CA of residue 2660
Atom CA of residue 103
ILE
LEU
Atom CA of residue 2646
Atom CA of residue 2690
Atom CA of residue 147
Atom NE2 of residue 111
Atom CA of residue 487
Atom N of residue 432
TRP
Atom CB of residue 475
Atom CG2 of residue 40
Atom O of residue 55
Atom CA of residue 169
Atom CA of residue 568
PRO
Atom CD of residue 147
Atom CB of residue 43
Atom C of residue 76
Atom CG of residue 585
ASP
Atom CA of residue 220
Atom CA of residue 578
ALA
Atom OG1 of residue 51
Atom CA of residue 23
ARG
ASP
Atom O of residue 45
ASP
Atom CA of residue 2653
Atom CA of residue 20
Atom CA of residue 71
Atom CA of residue 84
Atom C of residue 72
Atom CA of residue 50
Atom CA of residue 410
Atom CA of residue 62
LEU
Atom CA of residue 80
GLY
Atom CA of residue 86
Atom CA of residue 68
Atom CA of residue 149
ASP
Atom CA of residue 465
Atom N of residue 26
Atom CA of residue 64
Atom CA of residue 2672
Atom CG2 of residue 532
ALA
Atom CA of residue 478
Atom O of residue 10
Atom CA of residue 46
ILE
Atom CA of residue 2678
LEU
PRO
SER
Atom CB of residue 8
Atom OG1 of residue 564
Atom CG of residue 566
Atom C of residue 76
Atom O of residue 61
Atom CA of residue 75
Atom CG of residue 84
TYR
PRO
Atom C of residue 61
Atom NE2 of residue 544
Atom N of residue 71
Atom CA of residue 99
PRO
Atom CE2 of residue 144
ASN
Atom CG of residue 38
Atom N of residue 140
MET
Atom CA of residue 389
Atom C of residue 461
Atom CA of residue 156
LEU
Atom CA of residue 129
ILE
SER
Atom CB of residue 146
Atom CA of residue 488
Atom CA of residue 36
Atom N of residue 129
Atom CA of residue 104
ASN
Atom CA of residue 78
Atom O of residue 9
ASP
THR
ASP
LEU
GLU
PRO
Atom CA of residue 70
Atom O of residue 446
Atom CG of residue 119
Atom CA of residue 93
Atom N of residue 41
HIS
Atom CD of residue 483
Atom CG2 of residue 51
VAL
ASP
Atom NH1 of residue 50
GLY
LEU
GLU
SER
Atom CA of residue 161
Atom CA of residue 567
Atom CA of residue 97
ASP
Atom CA of residue 2677
Atom C of residue 99
Atom CA of residue 72
Atom C of residue 103
Atom O of residue 76
Atom N of residue 112
Atom CA of residue 19
Atom CA of residue 214
GLY
Atom CA of residue 502
ASP
Atom CA of residue 128
Atom CG2 of residue 564
GLU
Atom O of residue 72
Atom CA of residue 550
Atom N of residue 545
PHE
PRO
ARG
Atom CZ of residue 144
ASN
LYS
Atom CA of residue 128
GLU
Atom O of residue 461
Atom CA of residue 2661
ALA
Atom CA of residue 89
Atom CA of residue 63
Atom SG of residue 43
Atom CD1 of residue 532
Atom CA of residue 2635
Atom CG2 of residue 92
Atom CA of residue 543
Atom CA of residue 62
Atom CD1 of residue 585
Atom CB of residue 10
Atom O of residue 76
PRO
Atom CB of residue 446
Atom CB of residue 55
SER
Atom CA of residue 86
Atom C of residue 465
Atom CA of residue 109
Atom CB of residue 35
Atom CA of residue 53
Atom CD1 of residue 119
Atom OE1 of residue 483
Atom CA of residue 33
Atom CA of residue 12
GLY
Atom CA of residue 45
Atom NH2 of residue 50
GLY
Atom C of residue 104
Atom CG of residue 475
GLU
Atom CA of residue 411
Atom CB of residue 9
Atom CA of residue 170
ASP
PRO
Atom C of residue 75
Atom CD of residue 84
Atom N of residue 37
Atom CA of residue 144
Atom N of residue 565
PRO
GLU
ILE
Atom CD1 of residue 38
Atom CA of residue 579
Atom CA of residue 503
PRO
Atom CA of residue 2691
ASN
Atom CA of residue 2654
Atom CB of residue 461
Atom CA of residue 85
Atom CA of residue 51
THR
TYR
MET
Atom CA of residue 65
Atom CA of residue 479
Atom CA of residue 53
Atom OH of residue 144
Atom CA of residue 140
PHE
Atom CA of residue 390
Atom N of residue 93
PRO
Atom O of residue 99
LEU
Atom CA of residue 79
Atom CA of residue 9
Atom N of residue 10
Atom CA of residue 87
Atom CG of residue 446
Atom CB of residue 72
SER
Model 13
GLN
Atom CA of residue 40
Atom CA of residue 73
ARG
ALA
ASN
LEU
LYS
TRP
Atom CA of residue 157
Atom CA of residue 43
Atom OE2 of residue 483
GLU
Atom CA of residue 81
Atom N of residue 533
Atom CA of residue 47
Atom CB of residue 76
Atom CA of residue 129
Atom CD of residue 475
ILE
SER
Atom CB of residue 76
PHE
Atom CA of residue 64
Atom CG1 of residue 55
SER
Atom C of residue 71
Atom CA of residue 432
Atom CA of residue 160
Atom O of residue 103
VAL
MET
GLU
Atom CA of residue 403
Atom O of residue 465
Atom CA of residue 40
Atom CA of residue 90
LYS
Atom CA of residue 2679
THR
Atom CA of residue 2673
Atom CD2 of residue 585
Atom CD2 of residue 119
Atom CA of residue 112
Atom CD2 of residue 38
ALA
MET
Atom CA of residue 53
GLU
ASP
PRO
ASP
PRO
ASP
LYS
Atom CA of residue 545
TRP
VAL
SER
Atom N of residue 11
Atom CG of residue 35
Atom N of residue 52
PRO
Chain C
PRO
TYR
Atom CA of residue 94
VAL
Atom CA of residue 2678
PRO
CYS
Atom CB of residue 99
Atom CG of residue 76
Atom OG1 of residue 461
Atom N of residue 85
Atom O of residue 104
Atom CA of residue 551
Atom CA of residue 215
ILE
VAL
Atom N of residue 145
Atom CA of residue 37
Atom C of residue 140
Atom CA of residue 568
PHE
Atom CD2 of residue 6
Atom CB of residue 103
Atom N of residue 569
Atom O of residue 9
LYS
Atom O of residue 75
Atom CA of residue 87
ILE
Atom CA of residue 71
Atom CA of residue 90
Atom CA of residue 7
Atom CD1 of residue 446
ASP
Atom CE1 of residue 585
PRO
Atom CA of residue 456
LEU
Atom N of residue 51
Atom CA of residue 150
Atom CA of residue 24
Atom C of residue 90
THR
Atom CA of residue 26
ASN
Atom CA of residue 54
Atom CA of residue 221
CYS
Atom CA of residue 544
Atom CA of residue 63
Atom C of residue 37
Atom CE of residue 475
Atom CA of residue 84
Atom CA of residue 54
Atom CA of residue 74
Atom CA of residue 171
Chain C
LYS
Atom C of residue 51
Atom CB of residue 9
Atom CA of residue 110
Atom N of residue 484
ASN
Atom C of residue 112
GLU
ILE
Atom CA of residue 489
Atom CA of residue 505
Atom CA of residue 2692
LEU
Atom CA of residue 565
Atom O of residue 77
Atom SD of residue 76
Atom CB of residue 75
Atom CA of residue 86
Atom CG of residue 103
Atom CA of residue 75
Atom C of residue 545
Atom CA of residue 162
GLY
ALA
SER
Model 50
Atom N of residue 7
Atom CG2 of residue 55
Atom N of residue 120
Atom CA of residue 480
Atom O of residue 37
PHE
Atom O of residue 140
Atom CA of residue 41
MET
Atom CA of residue 391
LYS
GLN
Atom CG of residue 99
Atom CA of residue 2655
Atom CA of residue 52
Atom CB of residue 104
Atom CA of residue 88
Atom CA of residue 46
ASP
GLU
ALA
Atom CG of residue 72
Atom CA of residue 145
HIS
Atom O of residue 90
Atom CA of residue 2674
Atom CA of residue 457
ILE
Atom CD1 of residue 128
Atom CA of residue 80
Atom O of residue 71
Atom CA of residue 78
PHE
HIS
GLN
Atom CA of residue 404
GLU
ASN
Atom CG1 of residue 75
Atom CD2 of residue 446
Atom CG2 of residue 461
GLU
GLY
Atom CA of residue 70
ALA
Atom CG of residue 76
Atom CA of residue 38
Atom CB of residue 37
Atom C of residue 7
ASP
ALA
Atom CA of residue 50
Atom CA of residue 20
ALA
Atom CA of residue 141
TYR
Atom NZ of residue 475
Atom CA of residue 93
Atom CA of residue 533
Atom CA of residue 7
GLY
VAL
GLY
Atom CB of residue 77
SampledDensityMap20
PRO
GLU
Atom CA of residue 95
Atom C of residue 41
GLN
Atom O of residue 112
VAL
Atom CA of residue 11
Atom CE of residue 76
Atom CA of residue 75
PRO
CYS
Atom CA of residue 85
Atom OG of residue 37
Atom O of residue 545
ILE
Atom CA of residue 51
Atom CA of residue 2679
Atom CD of residue 72
Atom CA of residue 222
Atom CB of residue 140
Atom N of residue 91
Atom CB of residue 71
ILE
Atom CA of residue 569
ALA
Atom CA of residue 216
Atom CB of residue 117
Atom CD1 of residue 77
LYS
SER
GLU
Atom C of residue 93
Atom CA of residue 77
ASP
Atom CG of residue 104
Atom CG of residue 27
Atom CA of residue 552
Atom C of residue 565
Atom SD of residue 76
TYR
Atom CA of residue 151
Atom N of residue 56
Atom CD of residue 103
Atom CE2 of residue 585
Atom CA of residue 71
Atom CA of residue 484
Atom CA of residue 55
ASP
Chain B
SER
Atom CA of residue 504
CYS
Atom N of residue 462
Atom N of residue 38
ILE
Atom C of residue 51
Atom CA of residue 545
Atom CA of residue 64
Atom CA of residue 148
LEU
Atom CA of residue 458
Atom N of residue 447
Atom CA of residue 172
LEU
Atom C of residue 533
Atom CA of residue 15
VAL
Atom OD1 of residue 99
Atom CA of residue 39
Atom CA of residue 111
ALA
Atom CA of residue 55
Atom C of residue 85
Atom CG2 of residue 41
Atom CA of residue 490
LYS
Atom CD of residue 27
TYR
Atom CA of residue 85
Atom CA of residue 406
Atom N of residue 43
Atom CA of residue 91
THR
Atom N of residue 73
Atom CA of residue 88
Atom CA of residue 571
ASN
THR
Atom CA of residue 2
SER
Atom CG2 of residue 75
Atom C of residue 11
Atom CD of residue 566
Atom CA of residue 50
Atom CA of residue 163
Atom CA of residue 81
Atom O of residue 93
Atom CA of residue 2693
Atom CB of residue 112
ALA
Atom CA of residue 481
Atom N of residue 77
Atom CA of residue 2656
Atom CA of residue 85
PRO
Atom CA of residue 89
Atom CE of residue 76
THR
Atom CA of residue 392
ALA
Atom C of residue 61
VAL
Atom CZ of residue 585
Atom CB of residue 545
Atom CG of residue 77
GLY
Atom NE of residue 27
ASP
Atom CA of residue 78
LEU
Atom CD2 of residue 77
ALA
ALA
Atom CA of residue 76
Atom CA of residue 36
ALA
PRO
Atom CA of residue 2675
GLY
Atom CA of residue 32
GLU
ASP
Atom N of residue 476
Atom CA of residue 120
PRO
PRO
Atom CA of residue 39
Atom OD2 of residue 99
Atom NE of residue 103
Atom CG of residue 140
GLN
Atom C of residue 484
TYR
GLY
MET
MET
GLY
VAL
Atom CA of residue 2663
Atom O of residue 85
Atom CE1 of residue 20
Atom CA of residue 16
Atom O of residue 51
Atom CA of residue 87
GLU
ILE
Atom CZ of residue 27
ASP
Atom CB of residue 93
Atom CA of residue 51
Atom O of residue 533
LYS
PHE
Atom N of residue 42
Atom OG of residue 71
Atom CA of residue 83
Atom O of residue 565
Atom CA of residue 199
SER
Atom CA of residue 433
Atom CA of residue 223
Atom CA of residue 506
ARG
PRO
Atom N of residue 76
Atom N of residue 567
Atom CA of residue 2680
Atom O of residue 451
Atom CA of residue 462
Atom CA of residue 96
GLY
python stream
Atom CA of residue 91
GLU
Atom O of residue 11
Atom CB of residue 7
Atom CA of residue 154
Atom CA of residue 217
VAL
GLU
GLU
VAL
Atom CA of residue 553
Atom N of residue 77
GLN
Atom CB of residue 85
Atom CD1 of residue 104
Atom CA of residue 333
Atom OH of residue 585
Atom CA of residue 76
Atom C of residue 21
Atom CA of residue 570
ALA
Atom C of residue 38
Atom CA of residue 34
Atom CA of residue 48
Atom CA of residue 51
Atom CA of residue 56
Atom CB of residue 565
Atom CA of residue 92
Atom CA of residue 56
MET
Atom CA of residue 149
Atom CA of residue 89
Atom CG1 of residue 112
MET
Atom CA of residue 82
Atom CA of residue 466
SER
GLU
Atom CG of residue 545
ASP
Chain A
ASN
Atom CG of residue 508
Atom CA of residue 2659
Atom CA of residue 56
THR
Atom O of residue 484
Atom CA of residue 491
Atom CA of residue 77
Atom C of residue 120
Atom CB of residue 51
Atom CA of residue 546
Atom CA of residue 65
Atom C of residue 7
LYS
Atom O of residue 38
Atom CA of residue 24
Atom NE2 of residue 20
ALA
Atom CA of residue 76
ILE
GLU
Atom CA of residue 112
LYS
Atom N of residue 100
ARG
LYS
SER
Atom C of residue 91
ARG
LEU
GLY
Atom CA of residue 164
Atom CA of residue 53
Atom CA of residue 476
Atom CB of residue 451
Atom C of residue 56
Atom CD2 of residue 104
ARG
Atom N of residue 586
Atom CD of residue 32
LEU
Atom CA of residue 482
PHE
PHE
PRO
LEU
ASN
Atom CA of residue 393
ILE
LYS
Atom CB of residue 11
SER
Atom C of residue 462
Atom CA of residue 37
LEU
SER
Atom OD1 of residue 140
Atom N of residue 72
Atom CA of residue 33
Atom CA of residue 2
Atom CA of residue 138
Atom CA of residue 90
PRO
Atom CA of residue 2676
LYS
Atom CA of residue 2643
Atom CA of residue 73
Atom CA of residue 79
Atom CA of residue 407
Atom CB of residue 533
GLN
Atom CA of residue 200
GLN
VAL
THR
Atom CA of residue 82
Atom CA of residue 131
GLY
Atom NH1 of residue 27
Atom N of residue 41
GLY
Atom O of residue 120
Atom SD of residue 545
VAL
ARG
ALA
Atom CA of residue 40
GLU
Atom CA of residue 77
Atom CZ of residue 103
Atom CB of residue 484
Atom CA of residue 73
Atom SG of residue 93
ILE
Atom CA of residue 434
Atom CA of residue 88
Atom CG of residue 565
Atom CG of residue 451
Atom CA of residue 155
GLN
Atom ND2 of residue 85
Atom NE1 of residue 104
VAL
Atom CB of residue 61
Atom CA of residue 2664
TYR
Atom O of residue 56
SER
Atom CA of residue 25
Atom CA of residue 78
Atom CA of residue 97
Atom CA of residue 25
ALA
Atom NH2 of residue 27
Atom CA of residue 224
Atom ND2 of residue 140
Atom C of residue 476
Atom CG2 of residue 112
Atom CA of residue 42
VAL
Atom NH2 of residue 115
Atom CA of residue 334
Atom CA of residue 571
Atom CA of residue 218
Atom C of residue 73
PRO
ARG
Atom CA of residue 35
MET
Atom CA of residue 507
ASN
Atom CA of residue 150
Atom CA of residue 90
ALA
GLU
Atom O of residue 7
Atom CA of residue 77
Atom CA of residue 554
TRP
Atom CA of residue 93
Atom CA of residue 467
GLU
ASP
Atom CA of residue 77
Atom CA of residue 2681
MET
GLU
LYS
LYS
Atom CA of residue 492
Atom CG of residue 11
Atom CA of residue 57
Atom CA of residue 49
Atom CA of residue 547
PHE
Atom CA of residue 66
Atom CA of residue 2660
PRO
Atom CB of residue 56
Atom CA of residue 139
ASP
Atom O of residue 91
Atom CG of residue 51
Atom NH1 of residue 103
Atom CA of residue 26
PHE
Atom N of residue 86
Atom CB of residue 120
Atom CA of residue 83
Atom CA of residue 113
VAL
Atom C of residue 77
Atom CA of residue 201
Atom CA of residue 57
Atom N of residue 39
Atom N of residue 28
Atom N of residue 534
ASP
THR
Atom O of residue 41
Atom N of residue 141
Atom CA of residue 100
Atom CD1 of residue 112
Atom CB of residue 115
VAL
Atom CA of residue 40
Atom CA of residue 508
Atom CG of residue 61
Atom CA of residue 165
LYS
Atom O of residue 476
VAL
Atom N of residue 94
GLN
ARG
LEU
Atom N of residue 485
ALA
GLU
Atom CA of residue 79
VAL
ALA
Atom CA of residue 91
GLU
HIS
Atom C of residue 76
CYS
Atom C of residue 77
Atom CA of residue 41
Atom CA of residue 79
Atom CD of residue 451
Atom O of residue 73
GLY
Atom CE of residue 545
Atom CB of residue 91
Atom CA of residue 72
ASP
Atom CA of residue 394
Atom O of residue 8
Atom NH2 of residue 103
Atom CA of residue 2677
PHE
ALA
Atom CD of residue 11
ILE
Atom N of residue 88
Atom OD1 of residue 40
Atom CA of residue 34
Atom OD1 of residue 51
Atom CE2 of residue 104
Atom CA of residue 483
Atom CA of residue 2665
PRO
Atom CA of residue 44
Atom CA of residue 2644
Atom CA of residue 58
Atom C of residue 100
GLN
PRO
LEU
ASN
GLU
PHE
GLN
Atom CD of residue 565
Atom CA of residue 277
Atom CA of residue 586
GLN
Atom CA of residue 89
GLU
Atom CA of residue 74
PRO
ARG
ALA
Atom CB of residue 41
ARG
Atom CA of residue 117
Atom CA of residue 131
Atom CA of residue 76
PHE
Atom CA of residue 225
LEU
Atom CG of residue 116
Atom N of residue 113
P0
GLU
Atom CA of residue 2682
LEU
Atom CB of residue 476
Atom CG of residue 120
Atom N of residue 546
Atom OG1 of residue 91
Atom C of residue 72
Atom N of residue 104
Atom C of residue 586
Atom CA of residue 98
ILE
Atom CA of residue 219
TYR
GLU
LEU
GLU
PHE
PRO
Atom CA of residue 151
Atom CG1 of residue 56
GLY
ALA
LEU
Atom OD2 of residue 51
PHE
Atom CE3 of residue 104
Atom CA of residue 555
Atom CA of residue 468
GLN
Atom CB of residue 8
Atom CA of residue 572
GLN
Atom CG of residue 12
Atom O of residue 77
Atom N of residue 452
Atom CB of residue 73
Atom CA of residue 39
Atom CA of residue 534
Atom CA of residue 94
Atom CA of residue 493
Atom CA of residue 36
Atom O of residue 100
Atom CA of residue 335
Atom CE of residue 565
VAL
Atom CA of residue 91
CYS
THR
Atom CA of residue 435
Atom CA of residue 509
Atom CA of residue 80
ASP
Atom CA of residue 141
P6
Atom N of residue 120
Atom CA of residue 144
Atom CA of residue 197
Atom CA of residue 58
Atom CA of residue 28
Atom CA of residue 27
ILE
CYS
Atom CA of residue 152
Atom O of residue 61
THR
Atom CA of residue 118
Atom CA of residue 548
Atom CA of residue 67
Atom CA of residue 405
Atom O of residue 76
Atom C of residue 39
VAL
PHE
Atom CG1 of residue 41
Atom O of residue 72
Atom CA of residue 114
ASN
Atom N of residue 4
PHE
Atom O of residue 586
HIS
Atom CA of residue 46
Atom CA of residue 14
Atom CA of residue 166
Atom CA of residue 80
PRO
LEU
P7
Atom CA of residue 484
LYS
Atom CB of residue 100
TYR
Atom C of residue 28
SER
LYS
Atom CA of residue 94
Atom CA of residue 581
Atom CD1 of residue 120
Atom C of residue 534
Atom CA of residue 92
ALA
PHE
Atom CA of residue 104
LEU
Atom NZ of residue 565
THR
Atom CG2 of residue 56
THR
LEU
Atom CD of residue 12
Atom CA of residue 35
Atom N of residue 52
LYS
Atom CA of residue 40
SER
PHE
Atom CA of residue 92
Atom CA of residue 88
GLY
Atom CA of residue 2645
Atom CB of residue 77
LEU
LYS
Atom CG of residue 73
Atom CG1 of residue 476
Atom CA of residue 28
GLN
GLU
Atom CG of residue 20
Atom CA of residue 153
Atom CA of residue 2666
LEU
Atom CA of residue 485
Atom CA of residue 332
GLN
ASN
PRO
Atom O of residue 39
ARG
PHE
Atom CB of residue 586
Atom CA of residue 395
Atom CB of residue 76
P1
Atom CA of residue 546
Atom N of residue 21
ARG
Atom CA of residue 75
Atom OD1 of residue 508
Atom CA of residue 2657
Atom CA of residue 2678
PRO
Atom CG2 of residue 91
TRP
Model 27
Atom CA of residue 113
Atom CA of residue 90
Atom CA of residue 81
SER
ASN
Atom C of residue 86
Atom CA of residue 42
Atom C of residue 94
Atom CA of residue 119
Atom CA of residue 145
Atom CZ2 of residue 104
VAL
Atom CA of residue 99
Atom N of residue 570
PHE
Atom CA of residue 2683
Atom CA of residue 226
VAL
VAL
Atom CA of residue 39
Atom CA of residue 41
Atom C of residue 141
Atom CA of residue 220
GLN
GLY
Atom CA of residue 469
Atom CA of residue 573
Atom O of residue 534
Atom CA of residue 494
Atom CA of residue 436
ALA
Atom C of residue 485
HIS
LEU
Atom CA of residue 92
Atom C of residue 29
LYS
Atom CA of residue 95
Atom OE1 of residue 12
GLU
Atom CD of residue 73
GLU
Atom CA of residue 556
1z5s_C_wrong.pdb
Atom CG of residue 76
Atom CA of residue 333
Atom CA of residue 336
Atom N of residue 92
Atom CB of residue 72
Atom CA of residue 510
Atom C of residue 43
Atom N of residue 566
Atom CA of residue 54
Atom ND1 of residue 20
Atom CA of residue 120
Atom CA of residue 549
Atom CA of residue 452
Atom CA of residue 553
LEU
LEU
Atom CG of residue 100
ConjugateGradients
TYR
GLY
Atom O of residue 94
LEU
Atom CZ3 of residue 104
Atom C of residue 546
Atom CA of residue 133
PRO
Atom CA of residue 115
HIS
Atom C of residue 88
Atom ND2 of residue 508
PHE
Atom CA of residue 59
Atom CD2 of residue 120
Atom CA of residue 47
Atom CA of residue 38
VAL
SER
LEU
Atom O of residue 141
Atom CA of residue 471
Atom CA of residue 167
ASP
Atom C of residue 113
THR
Atom CA of residue 485
VAL
Atom CA of residue 509
Atom CG2 of residue 476
Atom O of residue 29
THR
Atom CA of residue 59
Atom CA of residue 120
SER
CYS
Atom CA of residue 82
GLU
PRO
ALA
Atom CA of residue 93
LYS
Atom CA of residue 146
Atom C of residue 452
CYS
Atom O of residue 86
VAL
Atom CA of residue 2679
Atom CB of residue 43
ARG
Chain A
Atom CG of residue 77
Atom CA of residue 2658
Atom O of residue 485
python stream rigid body
Atom C of residue 120
CoarseCC5
Atom CA of residue 582
Atom CA of residue 337
Atom C of residue 17
Atom CA of residue 2667
Atom N of residue 74
Atom CA of residue 420
Atom CA of residue 52
Atom N of residue 57
Atom CH2 of residue 104
Atom CA of residue 22
Atom CG of residue 72
Atom CA of residue 2662
ASP
LYS
LYS
Atom N of residue 587
Atom N of residue 121
GLY
Atom CA of residue 16
Atom CD2 of residue 20
Chain C
PHE
Atom CA of residue 134
GLY
Atom CA of residue 76
Atom CA of residue 396
LYS
P2
Atom CA of residue 93
ARG
Atom CA of residue 472
LYS
Atom CA of residue 334
Atom O of residue 509
Atom CA of residue 43
Atom O of residue 546
Atom CB of residue 29
Atom SD of residue 76
MET
GLY
Atom N of residue 477
Atom O of residue 117
Atom CA of residue 227
Atom CB of residue 534
THR
Atom C of residue 52
Atom CB of residue 141
Atom CA of residue 2684
GLN
Atom O of residue 113
LYS
Atom CD of residue 100
Atom CA of residue 66
ALA
GLY
Atom CA of residue 221
Atom CD of residue 77
Atom CA of residue 495
Atom O of residue 452
Atom CG of residue 40
GLU
Atom O of residue 120
ARG
Atom CA of residue 511
Atom C of residue 104
GLN
LYS
Atom O of residue 17
Atom CA of residue 133
Atom O of residue 88
GLN
Atom CA of residue 557
TRP
Atom CA of residue 421
Atom CB of residue 94
Atom CA of residue 574
SER
LEU
Atom C of residue 509
Atom CA of residue 94
THR
Atom NE2 of residue 43
Atom CA of residue 2646
Atom CB of residue 485
HIS
Atom CA of residue 83
Atom CA of residue 93
VAL
LYS
Atom CG of residue 29
Atom CD of residue 61
Atom N of residue 105
Atom CA of residue 397
Atom CA of residue 60
Atom O of residue 104
Atom CA of residue 51
ASN
Atom CA of residue 437
Atom CA of residue 48
Atom CA of residue 94
Model 39
Fit restraint internal rb map
Atom CE1 of residue 20
Atom CA of residue 96
Atom CA of residue 147
Atom CA of residue 550
Atom CA of residue 554
GLY
VAL
Atom CA of residue 121
ASN
Atom CB of residue 88
Atom CA of residue 461
THR
Atom CB of residue 120
VAL
LEU
ILE
python stream rigid body rigid body positions
Atom CA of residue 116
Atom NE of residue 77
ASP
Atom CA of residue 38
Atom CE of residue 76
HIS
Atom CA of residue 168
SER
Atom CB of residue 546
Atom CD of residue 72
Atom CA of residue 486
Atom O of residue 52
Atom CA of residue 335
AccumulateRigidBodyDerivatives11
LEU
Atom CB of residue 113
SER
SER
Atom CG of residue 85
ALA
Atom CB of residue 17
PRO
THR
Atom CA of residue 60
THR
ASN
Atom OE1 of residue 100
Atom CA of residue 57
CYS
Atom CA of residue 2680
Atom CA of residue 8
Atom CG of residue 534
ASP
ASN
Atom CA of residue 473
LEU
Atom CB of residue 104
ARG
ALA
Atom CA of residue 17
Atom CG of residue 141
Atom CA of residue 94
Atom CA of residue 44
Atom CG of residue 94
1z5s_A.pdb
GLY
Atom CB of residue 452
Atom CA of residue 2668
Atom CA of residue 74
Atom CA of residue 583
PHE
Atom CA of residue 121
LYS
Atom O of residue 61
ASN
THR
Atom OG1 of residue 485
ARG
TYR
CYS
ALA
Atom CA of residue 52
Atom C of residue 92
Atom CA of residue 2680
ASP
LEU
Atom O of residue 28
Atom CA of residue 463
NullModifier2
Fit restraint scratch map
GLU
Atom CA of residue 40
LEU
VAL
Atom CA of residue 122
Atom CA of residue 477
Atom N of residue 73
Atom CA of residue 84
Atom CA of residue 4
MET
THR
ALA
Atom CA of residue 86
Atom N of residue 44
Atom CA of residue 2685
Atom CA of residue 496
Atom CA of residue 440
Atom CA of residue 77
LEU
Atom CA of residue 587
Atom CA of residue 228
ARG
Atom OD1 of residue 534
Atom CA of residue 222
PRO
Atom N of residue 53
Atom CA of residue 13
Atom CA of residue 52
ASP
GLN
PRO
Atom CA of residue 575
Atom CA of residue 472
PRO
Atom CG of residue 88
Atom CA of residue 576
Atom CA of residue 2647
Atom NE of residue 61
Atom CA of residue 338
Atom CG1 of residue 546
Atom CA of residue 97
Atom CA of residue 336
Atom C of residue 57
Atom CA of residue 94
Atom CA of residue 26
Atom CB of residue 28
ARG
Atom CA of residue 584
THR
Atom CA of residue 558
LEU
Atom CA of residue 105
ALA
Atom N of residue 453
Atom CA of residue 95
Atom CA of residue 65
Atom C of residue 121
PRO
Atom CG of residue 17
GLU
Atom CG of residue 120
Atom CA of residue 512
Atom OD1 of residue 85
Atom CA of residue 91
Atom CZ of residue 77
Atom N of residue 13
Atom CA of residue 148
Atom CA of residue 551
Envelope penetration restraint
Atom CA of residue 555
ALA
PRO
Atom C of residue 74
Atom CG of residue 104
THR
ALA
Atom CA of residue 117
Atom CG2 of residue 485
Atom CD1 of residue 94
Atom CA of residue 39
ALA
GLU
Atom CA of residue 61
Atom C of residue 477
Atom OE1 of residue 43
ALA
PRO
Atom C of residue 587
PHE
Atom CA of residue 169
LYS
Atom CA of residue 68
Atom CD of residue 141
Atom CA of residue 512
Atom CA of residue 487
Atom OE2 of residue 100
SER
THR
ALA
Atom CG of residue 113
Atom CA of residue 85
ASP
Atom N of residue 29
PHE
Atom CA of residue 464
Atom CG2 of residue 546
Atom CA of residue 61
Atom N of residue 77
Atom ND2 of residue 534
PHE
Atom CA of residue 53
ALA
LEU
ILE
Atom CA of residue 95
Atom CA of residue 2681
Atom O of residue 92
GLU
ARG
Atom CA of residue 453
SER
ILE
Atom CD2 of residue 38
LEU
LEU
VAL
Atom CA of residue 45
Atom CA of residue 123
Atom CZ of residue 61
GLY
ARG
Atom O of residue 57
Atom CA of residue 422
Atom CA of residue 44
Atom CH2 of residue 16
PHE
ASN
Atom CA of residue 29
ASN
Atom CD2 of residue 94
ARG
PHE
LEU
ARG
Atom CA of residue 34
Atom CA of residue 78
Atom CA of residue 337
Model 36
Atom O of residue 74
Atom O of residue 587
Atom CA of residue 73
VAL
LYS
ARG
Atom CA of residue 41
Atom NE of residue 141
PHE
Atom CA of residue 2681
Atom CA of residue 2669
PHE
Atom CA of residue 577
Atom CD1 of residue 113
Atom N of residue 486
Atom CA of residue 497
Atom C of residue 105
SER
Atom CA of residue 2630
Atom O of residue 121
Atom CA of residue 229
Atom CA of residue 16
Atom CD1 of residue 120
Atom CA of residue 39
Atom CA of residue 2648
LEU
Atom CD of residue 88
ARG
Atom CA of residue 454
Atom CA of residue 223
ARG
Atom CB of residue 21
HIS
Atom CA of residue 432
Atom CB of residue 57
Atom CD1 of residue 104
SER
Atom CG of residue 43
THR
Atom CA of residue 513
Atom O of residue 477
GLU
Atom N of residue 535
Atom CA of residue 559
Atom CA of residue 432
Atom N of residue 101
LEU
VAL
Atom CA of residue 53
Atom CB of residue 92
Atom CA of residue 576
Atom CA of residue 2686
Atom CA of residue 473
TupleRestraint 0
Atom CA of residue 86
Atom CA of residue 96
Atom CA of residue 340
Atom CB of residue 587
Atom CA of residue 470
PRO
Atom O of residue 105
Atom CA of residue 150
VAL
Atom N of residue 33
Atom CA of residue 2631
GLU
Atom CA of residue 170
Atom CA of residue 95
LYS
GLU
Atom O of residue 13
Atom CZ of residue 141
ALA
Atom N of residue 17
Atom CA of residue 441
Atom CD2 of residue 113
ALA
VAL
Atom CA of residue 499
Atom CA of residue 62
Atom N of residue 58
Atom CA of residue 92
LYS
Atom CA of residue 77
Atom CA of residue 552
UpdateRigidBodyMembers8
Atom CA of residue 556
Atom CB of residue 74
Atom C of residue 53
Atom CG of residue 21
VAL
Atom N of residue 89
PRO
Atom CA of residue 34
Atom CA of residue 513
ARG
PRO
Atom CA of residue 118
Atom CA of residue 40
Atom CA of residue 148
Atom CA of residue 465
ALA
Atom CB of residue 121
Atom N of residue 547
ALA
GLY
Atom C of residue 73
ALA
Atom N of residue 95
PHE
VAL
Atom CD2 of residue 120
Atom C of residue 77
Atom CA of residue 2682
LEU
ILE
P1
Atom CA of residue 62
Atom CA of residue 151
Atom C of residue 453
ASP
Atom CA of residue 585
SER
Atom CB of residue 477
Atom CB of residue 13
Atom CA of residue 425
Atom CA of residue 535
GLY
ALA
Atom CA of residue 46
Atom CA of residue 124
ILE
python stream
Atom CA of residue 96
Atom CA of residue 488
xxx.em
Atom CA of residue 2682
Atom CA of residue 2670
LEU
PHE
Atom CA of residue 49
Atom CA of residue 58
Chain C
Atom CA of residue 52
Atom CB of residue 105
LEU
Atom CA of residue 486
PRO
ALA
Atom CD of residue 43
Atom CA of residue 79
SER
MET
Atom CA of residue 147
Atom CG1 of residue 92
ARG
Atom CA of residue 87
ALA
Atom CA of residue 578
THR
Atom N of residue 114
LYS
MET
GLN
Atom CA of residue 149
ASN
Atom CA of residue 101
Model 22
GLN
LEU
Atom CA of residue 134
P2
Atom O of residue 53
Atom N of residue 121
ALA
GLY
Atom CA of residue 2687
Atom CG1 of residue 587
Atom CA of residue 11
Atom CD2 of residue 104
LYS
Atom CA of residue 224
ASP
MET
Atom O of residue 453
SER
Atom CA of residue 438
Atom CA of residue 230
Atom CA of residue 426
TYR
LEU
Atom NH1 of residue 141
GLY
ALA
Atom CA of residue 173
Atom CA of residue 577
SER
Atom CA of residue 474
Atom CA of residue 586
Atom CA of residue 20
Atom CA of residue 61
UpdateRigidBodyMembers2
Atom CA of residue 96
VAL
Atom CG of residue 121
LYS
VAL
Atom CA of residue 560
Atom CA of residue 17
Atom O of residue 77
LYS
Atom CA of residue 33
GLU
Atom NE1 of residue 104
Atom CA of residue 502
Atom CA of residue 462
python stream rigid body
Atom CA of residue 2649
Atom CA of residue 500
Atom CA of residue 97
TYR
Atom CA of residue 125
Atom C of residue 101
Atom CA of residue 547
Atom O of residue 73
Atom CA of residue 553
Atom CA of residue 557
Atom CG of residue 74
Atom OG of residue 477
LYS
TYR
Atom CA of residue 45
Atom CG2 of residue 92
Atom CA of residue 119
GLU
Atom C of residue 486
Atom CA of residue 41
Atom CA of residue 89
Atom CA of residue 63
LYS
Atom N of residue 33
python stream
P3
Atom CA of residue 152
TYR
Atom CG of residue 105
ARG
Atom C of residue 535
Atom NH2 of residue 141
THR
Atom CA of residue 489
Atom CB of residue 53
Atom CA of residue 88
Atom CA of residue 439
Atom CA of residue 514
MET
LYS
Atom CG2 of residue 587
MET
HIS
LEU
Atom CA of residue 63
Atom C of residue 20
Atom CA of residue 7
Atom OD1 of residue 121
Atom O of residue 43
Atom CB of residue 73
ARG
LEU
LEU
Atom CA of residue 135
THR
Atom CA of residue 97
Atom C of residue 33
Atom NH1 of residue 115
PHE
ARG
P4
Atom CA of residue 47
LYS
LEU
ILE
Atom O of residue 101
Atom CA of residue 2683
Atom CA of residue 2671
Atom C of residue 547
PRO
Atom CD of residue 74
Atom N of residue 478
Atom CA of residue 16
LYS
LEU
ASP
Atom CA of residue 80
LYS
LYS
Atom C of residue 89
PRO
LEU
Atom CA of residue 2683
ILE
Atom CA of residue 50
Atom CA of residue 427
ASP
VAL
Atom O of residue 486
THR
Atom CE2 of residue 104
Atom N of residue 93
THR
VAL
ARG
Atom CA of residue 114
Atom CA of residue 433
Atom CA of residue 2688
Atom CB of residue 453
ALA
Atom CA of residue 53
Atom CA of residue 231
Atom CG of residue 73
Atom CA of residue 136
Atom O of residue 535
Atom CA of residue 225
Atom CA of residue 2650
MET
Atom CA of residue 95
Atom CB of residue 77
Atom O of residue 33
VAL
LEU
Atom CA of residue 33
Atom CA of residue 55
Atom CA of residue 579
GLY
Atom O of residue 20
Atom ND2 of residue 121
Atom CA of residue 89
Atom O of residue 89
LYS
Atom CA of residue 561
Atom CA of residue 503
Atom CA of residue 578
Atom CA of residue 501
Atom CA of residue 475
Atom CA of residue 464
Atom CA of residue 34
Atom CA of residue 126
Atom O of residue 547
SER
Atom CA of residue 121
Atom CA of residue 35
Atom CA of residue 172
Atom CE of residue 74
Atom CD of residue 105
Atom CA of residue 97
SER
Atom C of residue 22
LYS
GLU
Atom CA of residue 341
LEU
Atom N of residue 142
LEU
Atom CA of residue 64
Atom C of residue 114
SER
Atom CB of residue 33
LYS
Atom CA of residue 36
Atom CA of residue 15
Atom CA of residue 554
Atom CA of residue 558
LYS
Atom CB of residue 486
Atom C of residue 95
GLY
CYS
Atom CA of residue 515
Atom CG of residue 53
LEU
Atom CA of residue 149
Atom OG of residue 453
Atom CA of residue 150
HIS
Atom CA of residue 120
Atom CA of residue 490
Atom CA of residue 42
Atom CB of residue 101
Atom C of residue 121
GLN
Atom CA of residue 46
Atom CA of residue 148
LEU
SER
Atom CB of residue 535
Atom C of residue 39
LEU
GLU
Atom CA of residue 139
HIS
LYS
Atom CE3 of residue 104
Atom CA of residue 2684
Atom CD1 of residue 18
Atom O of residue 22
PRO
GLN
ALA
Atom CA of residue 64
LEU
Atom OE1 of residue 105
LEU
ASN
Atom CA of residue 478
Atom OXT of residue 587
Atom N of residue 122
VAL
Atom CB of residue 20
Atom CA of residue 2684
Atom CA of residue 2672
Atom C of residue 58
Atom CA of residue 432
SER
ILE
CoarseCC0
Atom CB of residue 547
Atom CA of residue 81
ASP
ALA
Atom CA of residue 90
LEU
LEU
Atom O of residue 95
PHE
Atom CD of residue 73
Atom CD1 of residue 53
Atom CA of residue 48
Atom CA of residue 153
GLN
Atom CA of residue 423
ALA
LEU
THR
Atom O of residue 121
Atom CA of residue 66
GLN
Atom CA of residue 339
SER
Atom O of residue 114
GLY
Atom CA of residue 587
ARG
VAL
GLN
Atom CB of residue 89
Atom CA of residue 465
Atom N of residue 23
Atom CA of residue 2651
Atom CA of residue 2689
GLN
GLN
Atom CA of residue 226
Fit restraint internal rb map
Atom N of residue 102
GLY
Atom CA of residue 171
Atom O of residue 39
PHE
Atom OE2 of residue 105
Atom CA of residue 142
Atom CA of residue 93
LEU
Atom CA of residue 498
Atom N of residue 454
Atom CA of residue 75
Atom O of residue 58
Atom CA of residue 460
Chain C
Atom CG1 of residue 486
ASP
Atom CA of residue 579
Atom CA of residue 476
Atom CZ2 of residue 104
LEU
Atom CB of residue 95
Atom CA of residue 28
VAL
ALA
LYS
Atom C of residue 478
Atom CA of residue 122
Atom CB of residue 121
LEU
Atom CG of residue 33
GLU
Atom CA of residue 580
Atom CA of residue 562
Atom CA of residue 566
Atom CD2 of residue 53
Atom CA of residue 504
ASP
THR
Atom CA of residue 257
Atom CA of residue 21
ASP
Atom CA of residue 38
VAL
ASP
Atom CA of residue 47
Atom CA of residue 149
Atom CA of residue 127
Atom CA of residue 555
Atom OG of residue 89
Atom CA of residue 559
ASP
Atom CB of residue 149
Atom N of residue 74
Atom CA of residue 2632
Atom CA of residue 121
Atom CA of residue 43
Atom CA of residue 21
Atom CA of residue 65
Atom CB of residue 58
1tdx.pdb
Atom CB of residue 114
LEU
VAL
Atom CA of residue 91
Atom CA of residue 57
Atom CA of residue 491
MET
SER
Atom OE1 of residue 9
VAL
Atom CG2 of residue 486
TYR
VAL
Atom CA of residue 140
Atom CG of residue 535
Atom CA of residue 516
Atom CA of residue 463
Atom C of residue 93
Atom O of residue 575
Atom OG of residue 95
ASP
GLY
Atom CA of residue 65
Atom CZ of residue 115
Atom CA of residue 56
Atom CA of residue 2685
Atom C of residue 142
SER
ARG
VAL
ILE
GLU
TYR
PHE
Atom CA of residue 49
SER
Atom CA of residue 2685
THR
Atom CA of residue 2673
Atom CZ3 of residue 104
Atom CA of residue 2630
VAL
ARG
ASP
Atom OD1 of residue 6
HIS
Atom CA of residue 258
Atom CG of residue 547
AccumulateRigidBodyDerivatives1
Atom CD of residue 149
LYS
ILE
Atom CA of residue 74
Atom N of residue 54
Atom NE2 of residue 11
Atom CA of residue 154
Atom CA of residue 424
LEU
LEU
Atom OG of residue 58
Atom CA of residue 103
Atom N of residue 106
Atom CA of residue 4
Atom OE2 of residue 9
ARG
Atom CA of residue 466
LYS
HIS
ARG
Atom O of residue 478
ASN
THR
Atom CD1 of residue 535
Atom CA of residue 2633
LEU
Atom OD1 of residue 33
Atom CA of residue 2690
Atom CA of residue 128
GLU
Atom CA of residue 82
VAL
Atom CA of residue 227
GLU
Atom C of residue 122
MET
Atom CA of residue 2652
Atom N of residue 90
LYS
Atom CA of residue 454
Atom CB of residue 4
ILE
Atom CH2 of residue 104
Atom O of residue 93
Atom CB of residue 575
Atom CA of residue 92
LEU
Atom CA of residue 3
Fit restraint internal rb map
Atom CA of residue 150
Atom CA of residue 13
Atom CA of residue 28
Atom CD of residue 547
Atom CA of residue 464
Atom O of residue 142
Atom NE of residue 149
Chain B
Atom CA of residue 563
GLU
ASN
Atom CA of residue 505
LYS
Atom CA of residue 2633
Atom CA of residue 477
Atom CG of residue 121
Atom CA of residue 4
Atom CA of residue 136
HIS
Atom CA of residue 22
Atom C of residue 566
GLY
PRO
Chain  
Atom CG of residue 4
Atom CA of residue 179
ARG
Atom CA of residue 23
Atom CD2 of residue 535
Atom CA of residue 48
Atom CA of residue 2
MET
Atom CA of residue 102
VAL
GLY
VAL
Atom N of residue 12
Atom CA of residue 37
Atom CG of residue 114
LEU
Atom N of residue 96
Atom CA of residue 556
Atom OD2 of residue 33
Atom CA of residue 560
MET
Atom CA of residue 8
LYS
Atom CB of residue 478
Atom CA of residue 492
Atom N of residue 487
ASN
ASP
Atom N of residue 105
Atom CA of residue 122
Atom CG of residue 575
VAL
Atom CA of residue 44
PRO
Atom CA of residue 516
ILE
SER
ALA
PRO
Atom N of residue 59
Atom OE1 of residue 547
Atom CZ of residue 149
Atom O of residue 122
Atom CB of residue 93
GLY
Atom CA of residue 58
Atom CA of residue 2686
Chain A
ASN
Atom O of residue 566
LEU
SER
Atom CB of residue 509
Atom CA of residue 138
Atom CA of residue 433
Atom CA of residue 50
Atom CA of residue 260
Atom CA of residue 106
ASN
Atom C of residue 8
VAL
Atom CA of residue 57
SER
Atom CA of residue 2631
Atom C of residue 23
Atom N of residue 536
Atom CB of residue 142
Atom C of residue 102
GLN
Atom CA of residue 465
LEU
Atom CA of residue 93
Atom CA of residue 83
Atom CA of residue 38
ILE
Atom C of residue 454
PRO
Atom CA of residue 155
Atom CD1 of residue 114
ALA
Atom CA of residue 269
LEU
Atom CA of residue 467
ILE
ARG
Atom CD of residue 121
Atom CA of residue 2686
Atom CA of residue 2674
Atom O of residue 8
DistancePairScore 0
ASP
Atom CB of residue 566
Atom CA of residue 54
LYS
Atom CA of residue 433
LEU
Atom CA of residue 104
MET
Atom SG of residue 93
Atom CA of residue 59
TYR
Atom NE2 of residue 547
Atom CA of residue 136
ILE
Atom N of residue 9
Atom CA of residue 84
Atom CA of residue 2653
CYS
Atom CA of residue 228
Fit restraint
Atom OG of residue 509
Atom CA of residue 129
Atom N of residue 34
ASP
GLU
PRO
Atom C of residue 74
Atom CA of residue 151
ASP
Atom CA of residue 41
ALA
Atom CB of residue 122
Atom C of residue 54
Atom O of residue 102
Atom CA of residue 2632
GLY
Atom OG of residue 478
Atom CA of residue 2691
Atom CA of residue 478
Atom CA of residue 137
Atom CD2 of residue 114
Atom NH1 of residue 149
Atom CA of residue 2634
GLY
ASP
Atom C of residue 106
GLU
ASP
SER
PRO
Atom C of residue 26
Atom CA of residue 564
Atom O of residue 23
LYS
Atom CA of residue 487
Atom CA of residue 506
Atom CG of residue 566
Atom CD1 of residue 575
TRP
TRP
Atom CA of residue 49
NullModifier0
GLU
ASP
Atom CE of residue 121
GLU
Atom CA of residue 2
LEU
Atom CA of residue 557
Atom CA of residue 561
GLN
Atom CA of residue 85
Atom CA of residue 90
Atom CA of residue 180
Atom CG1 of residue 142
Atom CA of residue 2634
Atom CA of residue 94
Atom CA of residue 123
Atom CA of residue 517
GLY
ASP
LEU
SER
GLN
Atom CB of residue 102
mol1 rigid body
TRP
Atom CA of residue 139
Atom CA of residue 59
Atom O of residue 26
ASP
Atom C of residue 4
Atom CA of residue 6
Atom O of residue 454
Atom N of residue 479
ILE
TYR
Atom CA of residue 259
Atom CA of residue 2687
Atom CA of residue 461
PHE
Atom CA of residue 151
Atom CA of residue 23
Atom CA of residue 51
SER
LEU
Atom CA of residue 292
Atom CA of residue 105
THR
Atom N of residue 94
Atom CA of residue 493
Atom C of residue 487
Atom O of residue 54
Atom CA of residue 2687
Atom CA of residue 2675
SER
GLU
Atom CA of residue 2
Atom CA of residue 47
Atom CB of residue 26
TYR
Atom NZ of residue 121
Atom N of residue 510
Atom C of residue 90
Atom CA of residue 60
Atom CA of residue 42
Atom N of residue 115
Atom CB of residue 23
Atom NH2 of residue 149
ILE
Atom O of residue 106
Atom CA of residue 468
Atom CA of residue 84
Atom CA of residue 96
VAL
Atom CB of residue 569
Atom CB of residue 454
Atom O of residue 74
PRO
ALA
Atom CA of residue 434
Atom CA of residue 105
GLU
LEU
Atom CA of residue 5
VAL
LEU
ARG
Atom CG2 of residue 142
Atom CA of residue 2692
PHE
Atom CA of residue 4
Atom CA of residue 17
Atom CA of residue 43
THR
Atom CA of residue 536
Atom CA of residue 5
Atom CA of residue 434
UpdateRigidBodyMembers19
Atom CA of residue 229
Atom CD of residue 566
GLY
Atom CD2 of residue 575
Atom CA of residue 152
LYS
ARG
ARG
Atom CA of residue 152
LYS
Atom CA of residue 34
PHE
Atom C of residue 59
MET
Atom N of residue 548
Atom CA of residue 2654
Atom CA of residue 95
ASN
VAL
Atom CG of residue 122
Atom CA of residue 2635
python stream
ASP
Atom CA of residue 9
LYS
TYR
Atom C of residue 96
Atom CA of residue 7
LYS
VAL
Atom CA of residue 565
Atom CA of residue 462
ARG
LEU
Atom O of residue 487
Atom CB of residue 54
LYS
Atom OG of residue 454
GLU
Atom CA of residue 507
Atom CB of residue 74
Atom CA of residue 479
MET
Atom CA of residue 261
ALA
Atom CA of residue 76
ASN
Atom O of residue 90
Atom N of residue 150
Atom CA of residue 2635
SER
Atom CB of residue 106
Atom CA of residue 50
VAL
Atom CG of residue 102
Atom CA of residue 181
Atom CA of residue 23
GLN
GLU
Atom C of residue 9
Atom CA of residue 27
Atom C of residue 536
GLU
LYS
Atom CA of residue 18
ALA
ALA
Atom CA of residue 66
LEU
python stream
ALA
Atom CA of residue 558
Atom CA of residue 293
Atom CA of residue 562
Atom O of residue 59
GLY
GLN
PRO
LEU
Atom CA of residue 494
LEU
Atom CA of residue 479
Atom CD of residue 122
VAL
GLY
Atom CA of residue 5
Atom CA of residue 450
Atom CA of residue 24
Atom CA of residue 124
Atom CA of residue 518
Atom C of residue 34
Atom C of residue 105
Atom N of residue 567
Atom OD1 of residue 40
Atom C of residue 91
VAL
Atom O of residue 96
Atom C of residue 27
ILE
VAL
Atom CG of residue 74
Atom CA of residue 52
VAL
Atom CA of residue 56
Atom CA of residue 2688
Atom CA of residue 2676
LYS
LEU
VAL
Atom CA of residue 469
GLY
PHE
Atom CA of residue 73
Atom CA of residue 8
Atom CE1 of residue 575
Atom CA of residue 96
Atom CB of residue 487
Atom O of residue 7
SER
Atom N of residue 143
Atom CA of residue 452
Atom CA of residue 2688
1tdx.pdb
Atom CA of residue 37
ALA
Atom CA of residue 435
LEU
THR
PHE
Atom CA of residue 35
Atom CA of residue 115
Atom CA of residue 548
Atom CA of residue 243
Atom CA of residue 435
Atom O of residue 105
Atom OE1 of residue 122
Atom CA of residue 87
Atom CA of residue 45
PHE
Atom CA of residue 29
LEU
Atom O of residue 536
SER
Atom CB of residue 96
VAL
Atom CA of residue 10
Atom CA of residue 24
Atom CA of residue 74
Atom CA of residue 106
Atom CA of residue 2693
Atom CA of residue 153
ILE
Atom O of residue 27
Atom CA of residue 60
Atom CB of residue 59
Atom CA of residue 230
ALA
Atom CA of residue 2655
ILE
SampledDensityMap25
SER
Atom C of residue 479
PRO
LEU
Atom CA of residue 2636
VAL
Atom OD1 of residue 102
Atom CA of residue 262
Atom CA of residue 86
Atom N of residue 455
Atom CA of residue 510
Atom O of residue 34
ILE
SER
Atom CA of residue 58
ARG
Atom C of residue 122
LEU
Atom CA of residue 94
Atom CB of residue 105
THR
input1.pdb
GLU
Atom CG1 of residue 54
Atom CA of residue 480
Atom CA of residue 11
LEU
Atom O of residue 91
Atom CA of residue 2636
PRO
Atom C of residue 115
Atom C of residue 548
LEU
ASP
Atom CG of residue 106
Atom OE2 of residue 122
Atom CA of residue 566
Atom C of residue 15
PHE
Atom CA of residue 508
ARG
Atom CG1 of residue 96
Atom CA of residue 15
ASN
Atom CB of residue 27
VAL
LEU
Atom CD of residue 74
LYS
SER
Atom CA of residue 88
Atom CE2 of residue 575
Atom CA of residue 137
Atom CA of residue 559
Atom CA of residue 97
Atom CA of residue 294
Atom CA of residue 563
GLY
GLY
Atom CA of residue 75
Atom C of residue 510
SER
VAL
Atom CA of residue 182
CYS
Atom CB of residue 536
Atom CA of residue 125
ASP
Atom CA of residue 495
Atom C of residue 22
Atom CA of residue 519
Atom CA of residue 66
Atom CA of residue 67
ASP
Atom CA of residue 51
PHE
TYR
Atom CA of residue 519
Atom CA of residue 25
Atom C of residue 94
Atom CA of residue 150
SER
Atom CA of residue 451
Atom CA of residue 143
Atom CG2 of residue 54
Atom CA of residue 2689
Chain A
PHE
LEU
VAL
LEU
LEU
ALA
LYS
VAL
ASN
PHE
Atom CA of residue 2689
Atom CA of residue 2677
Atom CG of residue 59
Atom ND1 of residue 106
Atom CA of residue 108
PRO
LYS
Atom CZ2 of residue 16
Atom N of residue 35
Atom CA of residue 68
Atom CA of residue 472
Atom CA of residue 1
ASN
Atom CA of residue 25
TYR
Atom CG of residue 487
Atom C of residue 11
Atom CA of residue 61
Atom O of residue 479
Atom CE of residue 74
NullModifier7
Atom CA of residue 129
Atom CZ of residue 575
Atom O of residue 122
CYS
GLN
Atom O of residue 115
Atom O of residue 548
Atom CA of residue 19
GLU
SER
Atom CG1 of residue 15
Atom OD2 of residue 102
ASP
Atom CA of residue 12
Atom CA of residue 244
LEU
Atom CB of residue 91
Atom CA of residue 15
VAL
GLY
Atom CA of residue 73
Atom C of residue 150
Atom CA of residue 154
GLU
VAL
LYS
Atom CA of residue 2658
Atom CA of residue 87
Atom CA of residue 129
Atom CA of residue 85
Atom O of residue 94
ARG
Atom CA of residue 436
HIS
Atom O of residue 510
Atom CA of residue 437
Atom C of residue 143
Atom N of residue 55
TRP
Atom CA of residue 231
Atom CA of residue 520
Atom CA of residue 73
Atom CA of residue 46
Atom CG of residue 105
Atom CG2 of residue 96
ARG
Atom CA of residue 98
Atom CA of residue 101
Atom O of residue 4
LYS
ILE
Atom N of residue 103
Atom CD2 of residue 106
CYS
TYR
Atom CA of residue 2637
Atom N of residue 576
Atom CD of residue 487
Atom CA of residue 11
TYR
Atom N of residue 147
ALA
Atom CA of residue 59
Atom CG of residue 26
Atom CD of residue 21
Atom CA of residue 139
THR
ILE
ILE
PRO
Atom CA of residue 76
TYR
PHE
Atom CA of residue 62
MET
Atom CA of residue 567
Atom CG2 of residue 15
Atom O of residue 150
ALA
Atom CA of residue 509
Atom CA of residue 116
Atom CA of residue 481
GLU
Atom CB of residue 479
Atom CB of residue 94
Atom CA of residue 75
LYS
Atom CA of residue 438
ARG
HIS
Atom CA of residue 2637
GLU
DensityMap53
Atom CA of residue 295
Atom N of residue 116
Atom CB of residue 548
Fit restraint internal rb map
THR
Atom CA of residue 183
Atom CB of residue 510
Atom N of residue 123
Atom CA of residue 26
Atom CA of residue 75
Atom OG1 of residue 91
GLU
Atom CA of residue 86
Atom CG of residue 536
Atom CA of residue 458
Atom CA of residue 68
Atom CB of residue 122
Atom CA of residue 455
PHE
Atom CA of residue 496
Atom O of residue 13
Atom CA of residue 560
Atom CA of residue 564
Atom CE1 of residue 106
MET
Atom CG of residue 512
Atom CA of residue 5
ASP
LEU
Atom O of residue 143
Atom CB of residue 150
GLU
ALA
Atom NE of residue 487
VAL
LYS
HIS
SER
Atom CA of residue 15
Atom CA of residue 126
Atom CA of residue 520
Atom CD1 of residue 96
Atom CA of residue 141
Atom CA of residue 35
LYS
Atom CA of residue 96
Atom CA of residue 2690
Atom CA of residue 66
LEU
ARG
Atom CA of residue 103
Atom CA of residue 8
PHE
Atom CA of residue 109
Atom CD1 of residue 15
Atom CA of residue 17
Atom CA of residue 473
LYS
Atom CA of residue 2690
Atom CA of residue 2678
PRO
Atom CG of residue 94
Atom CA of residue 245
Atom CA of residue 99
Atom CD1 of residue 26
ASN
GLU
Atom CA of residue 10
ILE
Atom CD of residue 105
SER
VAL
SER
Atom CB of residue 13
GLY
Atom CA of residue 3
ARG
GLN
THR
Atom N of residue 13
PRO
VAL
ALA
Atom CA of residue 25
ASP
Atom CD1 of residue 536
Atom OG of residue 572
Atom CA of residue 155
Atom CA of residue 9
Atom C of residue 455
GLY
LEU
THR
Atom CA of residue 33
Atom CA of residue 116
GLN
SER
Atom CA of residue 71
Atom CA of residue 2659
GLY
ARG
GLU
Atom CG of residue 510
Atom O of residue 4
SER
MET
Atom CG1 of residue 479
THR
Atom CA of residue 54
Atom CA of residue 97
Atom CG of residue 122
Atom C of residue 96
ARG
Atom CA of residue 16
Atom CA of residue 232
GLU
Atom CA of residue 37
Atom CA of residue 77
Atom CA of residue 459
Atom CA of residue 101
Atom CA of residue 67
Atom CA of residue 117
Atom CB of residue 143
Atom CA of residue 2646
Atom CZ of residue 487
Atom C of residue 35
Atom CA of residue 297
Atom CA of residue 80
Atom CD2 of residue 26
AccumulateRigidBodyDerivatives8
Atom CA of residue 576
THR
Atom CA of residue 102
LYS
Atom CA of residue 34
Atom CA of residue 437
ARG
ALA
SER
Atom CA of residue 573
Atom CA of residue 54
Atom C of residue 17
LEU
Atom CA of residue 123
input1.pdb
Model 47
Atom CD1 of residue 512
Atom CA of residue 482
Atom OE1 of residue 105
SER
Atom CA of residue 9
Atom CD2 of residue 536
Atom CA of residue 55
PHE
Atom O of residue 455
MET
Atom CA of residue 2646
LEU
Atom CA of residue 68
Atom CA of residue 133
Atom CA of residue 9
Fit restraint
Atom CD of residue 13
Atom CA of residue 35
Atom CA of residue 568
ILE
Atom CG of residue 548
Atom N of residue 151
Atom CA of residue 91
LEU
Atom N of residue 116
VAL
Atom CA of residue 510
SER
Atom CA of residue 27
Atom CA of residue 100
GLU
Atom CG2 of residue 479
ARG
ARG
Atom CA of residue 37
Atom CD1 of residue 94
GLN
Atom CA of residue 561
Atom CA of residue 15
Atom CA of residue 565
Atom CA of residue 7
Atom CA of residue 2638
Atom CA of residue 140
ALA
Atom CA of residue 36
Atom CA of residue 184
Atom N of residue 27
Atom CA of residue 497
Atom C of residue 55
LEU
Atom CA of residue 14
GLU
Atom CA of residue 298
Atom N of residue 16
Atom CA of residue 127
PHE
Atom CA of residue 521
Atom O of residue 35
xxx.em
VAL
Atom CA of residue 69
ASP
Atom O of residue 96
LYS
Atom CA of residue 13
Atom OE2 of residue 105
Atom C of residue 573
Atom CB of residue 455
Atom CA of residue 13
Atom NE2 of residue 106
Atom CA of residue 2691
Atom C of residue 123
DensityMap866
VAL
VAL
Atom CE1 of residue 536
Atom CA of residue 460
Atom CA of residue 2638
Atom OD1 of residue 510
HIS
Atom CA of residue 19
PHE
Atom N of residue 97
ASP
SER
Atom C of residue 116
Atom CD of residue 548
MET
Atom CA of residue 151
PRO
ARG
Atom O of residue 17
VAL
ASN
Model 41
Atom CD2 of residue 512
Atom CA of residue 72
Atom OD1 of residue 567
Atom CA of residue 156
ARG
SER
Atom CA of residue 521
ILE
SER
Atom C of residue 576
Atom CA of residue 122
TYR
TYR
Atom CA of residue 246
Atom CA of residue 26
Model 17
Atom O of residue 55
Atom CA of residue 2691
Atom CA of residue 2679
Atom CA of residue 63
Atom CA of residue 470
Atom C of residue 13
Atom N of residue 10
ALA
LYS
Atom CA of residue 81
GLU
Atom N of residue 480
Atom CA of residue 78
LEU
GLN
Atom C of residue 103
GLY
Atom CA of residue 436
Atom CA of residue 15
Atom CD2 of residue 94
Atom CG of residue 9
Atom CA of residue 28
PRO
GLY
Atom CG1 of residue 455
Atom N of residue 107
Atom CA of residue 100
Atom C of residue 133
Atom CA of residue 233
GLN
TYR
Atom CG of residue 143
GLN
Atom NH1 of residue 487
Atom CA of residue 438
Atom ND2 of residue 510
Atom N of residue 91
Atom CA of residue 107
Atom CA of residue 118
Atom CA of residue 103
Atom CB of residue 96
SER
LEU
Atom CZ3 of residue 16
Atom CA of residue 106
Atom CG of residue 13
Atom OE1 of residue 548
Atom O of residue 573
LEU
Atom CA of residue 55
Atom CA of residue 102
ASP
Atom O of residue 123
Atom CA of residue 132
Atom CA of residue 23
ALA
VAL
ASP
THR
Atom CA of residue 31
Atom CA of residue 138
Atom CA of residue 34
LYS
Atom CA of residue 569
Atom O of residue 116
Atom CA of residue 38
PRO
Atom CA of residue 299
ARG
VAL
Atom CA of residue 511
GLY
Atom CE1 of residue 512
Atom CA of residue 483
Atom CB of residue 35
Atom CA of residue 248
Atom CA of residue 54
Atom CA of residue 2656
Atom CD of residue 9
PRO
Chain  
Atom CA of residue 95
VAL
ALA
Atom CA of residue 236
Atom CA of residue 135
VAL
Atom CA of residue 185
GLU
Atom CB of residue 55
Atom O of residue 103
Atom N of residue 122
GLY
Atom CA of residue 21
Atom NE of residue 115
Atom CA of residue 28
Atom CD of residue 143
Atom CA of residue 14
Atom NH2 of residue 487
ALA
PHE
ILE
Atom CA of residue 70
Atom CA of residue 52
Atom CA of residue 36
Atom CD of residue 13
Atom CA of residue 568
Atom C of residue 97
Atom CA of residue 562
Atom CA of residue 566
Atom NE2 of residue 548
Atom CA of residue 2639
ASP
DensityMap19
TRP
Atom CA of residue 29
ASN
Atom CA of residue 128
Atom O of residue 576
Atom CA of residue 522
GLU
Atom CA of residue 2692
ALA
ARG
LEU
Atom CG2 of residue 96
Atom CA of residue 471
Atom CH2 of residue 16
Atom CB of residue 103
Atom CA of residue 12
Atom OG1 of residue 35
Model 7
LYS
LYS
Atom CA of residue 498
Atom CA of residue 2692
ALA
Atom CA of residue 2680
Atom N of residue 106
GLN
Atom CB of residue 123
GLU
Atom CG2 of residue 455
Atom O of residue 6
Atom CA of residue 38
Atom CA of residue 2639
Atom CA of residue 157
ALA
Atom CE2 of residue 536
Atom CB of residue 465
Atom N of residue 511
LEU
THR
VAL
Atom CA of residue 40
Atom CA of residue 107
Atom CA of residue 79
Atom CB of residue 116
LYS
Atom CA of residue 88
Atom CA of residue 64
GLY
Atom OE1 of residue 143
Atom N of residue 488
Atom CE3 of residue 16
Atom CA of residue 480
Atom NE of residue 13
ALA
THR
Atom CB of residue 576
Atom CA of residue 21
VAL
Atom CA of residue 16
Atom CA of residue 79
Atom CA of residue 522
Atom NE2 of residue 63
PHE
PRO
Atom CA of residue 82
Atom CA of residue 131
MapReaderWriter37
THR
Atom CA of residue 580
THR
THR
Atom CA of residue 101
ARG
PRO
PHE
Atom CG of residue 103
LEU
Atom CA of residue 36
HIS
Atom CA of residue 234
LEU
Atom CA of residue 38
ASN
Atom CA of residue 136
Atom CG1 of residue 96
Atom CA of residue 139
Atom CA of residue 50
Atom CA of residue 119
Atom N of residue 95
HIS
Atom CA of residue 103
Atom CB of residue 18
Atom CG1 of residue 55
THR
GLN
PRO
ALA
Atom CZ of residue 536
Atom CA of residue 38
PHE
Atom CG of residue 465
THR
Atom CA of residue 104
Atom N of residue 17
Atom CA of residue 15
Atom CG2 of residue 116
Atom CE2 of residue 512
GLY
ALA
Atom CA of residue 2657
Atom CA of residue 484
Atom N of residue 456
Atom CA of residue 2640
Atom N of residue 577
ASP
LEU
Atom CA of residue 61
Atom CA of residue 81
Atom C of residue 16
Atom C of residue 151
LEU
Atom O of residue 97
Atom CA of residue 115
PHE
Atom CG of residue 18
Atom CA of residue 249
Atom C of residue 52
Atom CA of residue 21
Atom C of residue 107
Atom CA of residue 570
Atom CA of residue 102
ILE
Atom CG2 of residue 35
THR
Atom CA of residue 512
Atom OE2 of residue 571
Atom OE2 of residue 143
Chain A
MET
MET
GLY
Atom CA of residue 147
TYR
Atom C of residue 39
Atom CA of residue 563
Atom CG1 of residue 5
Atom CA of residue 567
GLN
Atom CA of residue 237
ARG
Atom O of residue 95
PRO
Atom CA of residue 2640
Atom CA of residue 499
ARG
Atom CA of residue 186
Atom CA of residue 296
Atom CA of residue 129
Atom CA of residue 523
Atom OH of residue 536
VAL
Atom CA of residue 39
Atom CA of residue 71
Atom N of residue 64
ARG
TRP
Atom C of residue 480
LYS
Atom CA of residue 13
ARG
VAL
GLU
Atom CZ of residue 512
Atom C of residue 106
TYR
Atom O of residue 12
Atom N of residue 549
Atom CD of residue 103
Atom CA of residue 456
Atom CG of residue 123
ALA
PRO
ARG
Atom CA of residue 2693
Atom O of residue 52
Atom CG2 of residue 5
Atom CA of residue 2681
TYR
Fit restraint scratch map
Atom OD1 of residue 465
ALA
Atom CD1 of residue 96
Atom CA of residue 29
LEU
THR
Atom CA of residue 511
PHE
Atom CG1 of residue 116
GLU
Atom CA of residue 488
Atom CB of residue 97
TYR
Atom CA of residue 2693
ARG
Atom CB of residue 95
SER
Atom CA of residue 89
Atom CA of residue 581
Atom O of residue 16
Atom CA of residue 523
Atom CA of residue 70
ARG
Atom O of residue 151
Atom CA of residue 442
PRO
GLY
Atom O of residue 107
ILE
Atom N of residue 36
Atom N of residue 6
GLU
Atom CA of residue 83
Atom CA of residue 65
Atom CG2 of residue 55
Atom CA of residue 441
VAL
ASN
Atom CA of residue 4
ILE
MET
Atom CA of residue 17
Atom CA of residue 140
Atom CA of residue 51
Atom CA of residue 235
GLY
ARG
LEU
ASP
Atom CD of residue 123
Atom CA of residue 120
DensityMap26
Atom O of residue 39
Fit restraint scratch map
Atom CB of residue 52
Atom N of residue 537
Atom CZ of residue 147
Atom CA of residue 39
Atom CA of residue 10
Atom C of residue 511
Atom CA of residue 105
Atom O of residue 480
Atom CA of residue 250
ASP
Atom CA of residue 22
Atom N of residue 97
SER
Atom N of residue 513
Atom CA of residue 272
Atom CA of residue 104
PRO
MET
Atom NE of residue 103
Atom CA of residue 148
Atom CB of residue 151
SER
Atom CA of residue 41
GLN
Atom CA of residue 16
Atom CA of residue 22
Atom CA of residue 10
Atom CB of residue 16
Atom CA of residue 2641
SER
VAL
Atom CA of residue 571
Atom CA of residue 36
ARG
GLU
Atom CA of residue 513
LEU
Atom C of residue 488
Atom N of residue 56
Atom CA of residue 485
Atom N of residue 144
Atom OG of residue 95
ALA
LEU
PHE
em module unit tests succeeded
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In member function 'void IMP::saxs::RadialDistributionFunction::read_pr_file(const std::string&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In member function 'void IMP::saxs::Profile::read_SAXS_file(const IMP::String&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/saxs/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/examples/profile.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/examples/profile_fit.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/examples/fast-test.results.out) > /dev/null
Run example profile.py ... in 1.230s ... ok
Run example profile_fit.py ... in 1.924s ... ok

----------------------------------------------------------------------
Ran 2 tests in 3.156s

OK
saxs examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/saxs/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.saxs --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/test/test_saxs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/test/test_surface.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_saxs_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/saxs/test/fast-test.results.out) > /dev/null
Check protein profile computation ... ok
Check residue level saxs restraint ... ok
Check saxs restraint ... ok
Check the surface area handle points on boundary ... in 1.974s ... ok
Check protein surface computation ... in 1.833s ... 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 6.721s

OK
saxs module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/gsl/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/examples/simplex.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/examples/fast-test.results.out) > /dev/null
Run example simplex.py ... ok

----------------------------------------------------------------------
Ran 1 test in 0.190s

OK
gsl examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/gsl/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.gsl --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/test/test_cg_optimizer.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/test/test_qn_minimizer.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/test/test_simplex_minimizer.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_gsl_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/gsl/test/fast-test.results.out) > /dev/null
Check that we can optimize the Woods function with CG ... ok
Check that we can optimize the Woods function with QN ... ok
Test the simplex optimizer with given starting conditions ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 7 tests in 1.515s

OK
gsl module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/modeller/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/examples/imp_restraints_in_modeller.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/examples/load_modeller_model.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/examples/modeller_restraints_in_imp.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/examples/fast-test.results.out) > /dev/null
Run example imp_restraints_in_modeller.py ... in 1.021s ... ok
Run example load_modeller_model.py ... ok
Run example modeller_restraints_in_imp.py ... ok

----------------------------------------------------------------------
Ran 3 tests in 2.489s

OK
Exception AttributeError: "'NoneType' object has no attribute 'mod_model_free'" in  ignored
Exception AttributeError: "'NoneType' object has no attribute 'mod_io_data_free'" in > ignored
Exception AttributeError: "'NoneType' object has no attribute 'mod_libraries_free'" in > ignored
modeller examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/modeller/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.modeller --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/test_dynamic_restraints.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/test_imp_restraints.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/test_load_model_atoms.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/test_modeller_restraints.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/modeller/test/test_rsr_file_read.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_modeller_standards.py >/scratch/nightly-build-21548/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 5.499s ... ok
Check reading a dna with one chain ... in 3.456s ... ok
Check reading a Modeller model with one protein ... in 3.509s ... 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 23.245s

OK
modeller module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/restrainer/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/nup84_complex_in_bead_representation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/basic_setup.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/rigid_body_and_excluded_volume_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/em_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/saxs_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/examples/basic_display.py >/scratch/nightly-build-21548/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 2.048s

OK
restrainer examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/restrainer/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.restrainer --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_sphere.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_sphere.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_display.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_distance_for_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_distance_for_sphere.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_em.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_get_rigid_body.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_methods_for_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_methods_for_sphere.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_representation_mix.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_representation_pdb.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_representation_sphere.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_saxs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_molecules.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_rigid_bodies.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_simple_diameter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_simple_distance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_simple_em_fit.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/test_simple_excluded_volume.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_restrainer_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/fast-test.results.out) > /dev/null
Check get_restraint_by_name, get_weight, and set_weight for connectivity restraint for pdb ... in 2.866s ... ok
Check connectivity restraint for sphere ... ok
Check diameter restraint for pdb ... in 1.187s ... ok
Check diameter restraint for sphere ... ok
Check display ... ok
Check distance restraint for pdb ... ok
Check distance restraint for sphere ... ok
Check EM restraint ... ok
Check get_rigid_body_by_id and get_all_rigid_bodies methods ... in 1.877s ... ok
Check multiple input restraints for pdb ... in 2.694s ... 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 13.475s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CA of residue 2
NormalizeRotation7
Atom CA of residue 56
Atom N of residue 42
Atom CG2 of residue 47
LeavesRefiner2
LYS
Atom CA of residue 107
P3
Atom CD2 of residue 28
Atom O of residue 9
Atom NE of residue 73
Atom N of residue 101
Atom CB of residue 129
Atom CG1 of residue 2
Atom C of residue 1
Atom N of residue 46
Atom ND2 of residue 37
connectivity list
Atom N of residue 123
Atom CA of residue 5
Atom CD2 of residue 3
Atom CB of residue 32
Atom N of residue 4
P355
Atom N of residue 18
Atom NH2 of residue 5
Atom N of residue 3
simple_input.pdb
Atom CE2 of residue 111
Atom O of residue 89
ARG
Atom C of residue 71
Atom NZ of residue 96
Atom CD of residue 5
ListSingletonContainer4
Atom C of residue 15
simple_input.pdb
Atom CA of residue 66
P6
Atom N of residue 122
ConnectivityRestraint 1
Atom N of residue 20
UnaryFunction6
Atom CE2 of residue 63
Atom CA of residue 16
Atom CZ of residue 14
Atom CB of residue 3
AccumulateRigidBodyDerivatives12
Atom CD2 of residue 3
RestraintSet 12
Atom O of residue 2
Fit restraint
GLY
Atom ND2 of residue 59
Atom CE of residue 1
ARG
Atom CG of residue 3
Atom CB of residue 78
Atom OG1 of residue 118
P10
P0
ALA
Atom CB of residue 8
Atom CA of residue 1
UpdateRigidBodyMembers1
Atom CE of residue 1
Atom CB of residue 38
Atom CG of residue 125
Atom CD1 of residue 3
Atom O of residue 1
Atom CB of residue 57
Atom CA of residue 1
Atom OD1 of residue 87
Atom CG of residue 5
Atom CD1 of residue 3
Atom CA of residue 119
Atom CA of residue 1
Atom NZ of residue 1
Atom CA of residue 70
Atom NE of residue 5
Atom NH2 of residue 125
Atom C of residue 115
P15
P251
Atom CA of residue 4
Atom C of residue 66
Atom CZ of residue 5
THR
Atom C of residue 4
Atom N of residue 45
Atom CA of residue 90
VAL
Atom C of residue 3
Atom C of residue 56
P8 rigid body positions
Atom CA of residue 61
Atom N of residue 48
Atom N of residue 1
Atom N of residue 2
Atom CD1 of residue 3
Atom CA of residue 123
Atom C of residue 107
Atom CD2 of residue 83
Atom CD2 of residue 108
Atom CZ of residue 73
Atom CA of residue 3
connectivity list
Atom O of residue 1
Atom CB of residue 5
Atom CB of residue 89
GLY
VAL
Atom C of residue 5
TRP
Atom CD2 of residue 3
Atom O of residue 83
Atom CZ of residue 5
Atom N of residue 33
Atom NE of residue 5
Atom NH1 of residue 114
Atom CE1 of residue 3
ASP
Atom CD2 of residue 3
GLY
PHE
Atom CG1 of residue 2
Atom CE3 of residue 111
Atom C of residue 100
P74 RigidBodyHierarchy 4
Model 19
Atom CB of residue 96
LYS
Atom C of residue 23
CYS
Atom CG2 of residue 2
UpdateRigidBodyMembers27
ALA
Atom ND2 of residue 74
Atom O of residue 16
LYS
ARG
ASP
KClosePairsPairScore 3
Atom C of residue 3
Atom O of residue 74
RestraintSet 20
Atom CD1 of residue 3
Atom CG of residue 52
Atom CG1 of residue 78
Atom O of residue 15
Atom CG2 of residue 2
P49
Atom N of residue 126
PRO
simple_input.pdb
Atom CA of residue 3
Atom C of residue 119
Atom C of residue 2
P1
PHE
Atom O of residue 5
Atom O of residue 1
P11
Atom CD of residue 5
Chain A
P354
Atom CA of residue 3
Atom CA of residue 42
Atom N of residue 65
Atom OD2 of residue 87
Atom N of residue 54
TYR
Atom CA of residue 112
LYS
Atom CA of residue 6
Atom O of residue 41
Atom CA of residue 19
Atom O of residue 4
P0
TRP
P74 rigid body positions
Atom N of residue 4
ARG
Atom CD1 of residue 108
Atom C of residue 1
Atom C of residue 61
Atom O of residue 115
Atom C of residue 4
Atom O of residue 1
Atom CA of residue 7
simple_input.pdb
LYS
Atom CA of residue 47
Atom CB of residue 2
Atom CB of residue 1
Atom CZ3 of residue 28
Atom CB of residue 1
ASP
Atom CE2 of residue 3
P8
Atom C of residue 70
Atom O of residue 107
Atom N of residue 84
Atom CB of residue 74
Atom CG of residue 5
Atom CG of residue 3
Atom NH1 of residue 14
Atom CG of residue 129
GridCPF
Atom CD of residue 5
Atom O of residue 71
ModelScoringFunction4
P5
P1 rigid body positions
Atom CD2 of residue 3
Atom O of residue 5
GLY
HIS
Atom N of residue 3
Atom CA of residue 33
Atom NH2 of residue 114
P4 rigid body positions
Atom CA of residue 18
Atom CA of residue 22
Atom CG of residue 3
UpdateRigidBodyMembers21
Atom CZ2 of residue 111
Atom CB of residue 1
Atom N of residue 3
Atom C of residue 4
NormalizeRotation4
Atom CA of residue 1
Atom CB of residue 1
P1135
Atom CG2 of residue 118
Atom C of residue 90
Chain A RigidBodyHierarchy 14
P74
GLY
Atom O of residue 56
Atom CA of residue 8
Atom N of residue 75
Atom NZ of residue 1
Atom CA of residue 4
Atom CD of residue 125
Atom NH1 of residue 5
P1
Atom N of residue 14
Atom C of residue 3
Atom CA of residue 101
Chain A
Atom C of residue 3
Atom CD of residue 5
Atom CB of residue 1
VAL
Atom O of residue 1
Atom CB of residue 83
Atom C of residue 1
Atom CA of residue 79
Atom CB of residue 115
Atom CG of residue 37
Atom CG2 of residue 2
NormalizeRotation1
Atom N of residue 5
Atom CB of residue 41
Atom N of residue 1
Atom N of residue 53
AccumulateRigidBodyDerivatives3
Atom O of residue 4
Atom CA of residue 63
Atom O of residue 3
Atom CG of residue 45
Atom O of residue 119
Atom N of residue 97
Atom N of residue 5
Atom O of residue 1
Atom CG of residue 57
Atom CB of residue 1
GLY
Atom C of residue 112
Atom CA of residue 126
Atom NH1 of residue 5
Atom O of residue 5
Atom CA of residue 1
Atom CA of residue 1
Chain A
Atom N of residue 70
Atom N of residue 72
Atom NZ of residue 1
Atom CA of residue 122
Atom CB of residue 5
Atom CB of residue 107
FixedRefiner5
Atom N of residue 2
UpdateRigidBodyMembers15
Atom CD2 of residue 3
Atom CG of residue 3
RigidCPF
Atom O of residue 5
Atom NH2 of residue 5
LYS
LYS
Atom CG of residue 96
Atom CB of residue 5
Atom CA of residue 48
Atom CZ of residue 3
Atom CD of residue 7
Atom CG of residue 38
LEU
Atom NE of residue 5
ConjugateGradients
Atom O of residue 100
LYS
Atom CG of residue 74
Atom NH1 of residue 73
Atom O of residue 66
ASN
ARG
Atom CB of residue 1
Atom CA of residue 88
simple_input.pdb
Atom CA of residue 3
Atom O of residue 23
GLY
P10
Atom CH2 of residue 28
Atom N of residue 115
Atom O of residue 61
TYR
Chain A
Atom CZ3 of residue 111
Atom OG1 of residue 89
Atom CG of residue 63
Atom C of residue 47
Atom C of residue 42
Atom O of residue 3
Atom CB of residue 2
ConnectivityRestraint 7
Atom CA of residue 45
Atom N of residue 3
Atom CB of residue 1
LYS
Atom CD of residue 5
Atom C of residue 3
Atom OG1 of residue 51
Atom CB of residue 56
PHE
Fit restraint
GLY
NullModifier1
Atom CB of residue 2
Atom CD2 of residue 3
Atom CB of residue 119
Atom CA of residue 1
GLY
Atom C of residue 79
Atom CA of residue 5
Atom C of residue 22
LYS
Atom N of residue 5
DistancePairScore 0
SoftSpherePairScore 5
Atom CG of residue 3
Atom CG of residue 41
ARG
Atom CG2 of residue 78
Atom O of residue 90
Atom CA of residue 15
LYS
ModelScoringFunction1
Atom NH1 of residue 5
Atom CB of residue 23
LEU
P304
ListSingletonContainer11
Atom CB of residue 100
Atom O of residue 112
Atom CG of residue 1
SampledDensityMap6
P11
Atom O of residue 3
Atom O of residue 3
P251
VAL
Atom CB of residue 6
Atom CD1 of residue 129
Atom NE of residue 125
VAL
Atom CG of residue 1
Atom N of residue 6
Atom CB of residue 66
Atom CE1 of residue 3
Chain A RigidBodyHierarchy 0
UpdateRigidBodyMembers6
Atom O of residue 37
VAL
Atom OE1 of residue 7
Atom CZ of residue 5
ALA
Chain A
Atom C of residue 52
Atom CB of residue 5
Atom CG of residue 5
Atom CD1 of residue 38
Atom CA of residue 84
Atom CD of residue 1
UnaryFunction22
Atom NH2 of residue 73
AccumulateRigidBodyDerivatives15
P354
Atom N of residue 4
Atom CG of residue 5
P46
P175
Atom NH2 of residue 5
Atom C of residue 60
UpdateRigidBodyMembers38
rigid bodies list
Atom C of residue 122
Atom C of residue 101
Atom CB of residue 3
Atom CG1 of residue 2
Atom CA of residue 54
Atom CB of residue 3
Atom CB of residue 61
Atom NH2 of residue 5
AccumulateRigidBodyDerivatives29
Atom C of residue 123
Atom C of residue 45
simple_input.pdb
Atom CB of residue 29
P12
Atom CD of residue 96
Atom C of residue 18
Atom SG of residue 115
Atom C of residue 48
Atom N of residue 2
Atom N of residue 2
Atom N of residue 2
UpdateRigidBodyMembers0
UpdateRigidBodyMembers24
Atom CD of residue 1
TupleRestraint 8
Atom O of residue 42
Atom CD of residue 57
Atom CD1 of residue 78
Atom CD1 of residue 3
Atom O of residue 3
Atom CA of residue 1
Atom CB of residue 90
P303 RigidBodyHierarchy 1
P355
Atom CA of residue 115
Atom N of residue 38
Atom CB of residue 5
SER
Atom O of residue 3
Atom CZ2 of residue 28
P0
Chain A RigidBodyHierarchy 13
PHE
PHE
Atom CA of residue 97
Atom O of residue 1
Atom CB of residue 1
Atom CA of residue 5
Atom CG1 of residue 2
Atom CA of residue 1
Atom CA of residue 53
Atom OE2 of residue 7
Atom CA of residue 75
Atom CG of residue 23
Atom CZ of residue 125
Atom CG of residue 56
Atom CE1 of residue 3
Atom C of residue 5
Atom CB of residue 37
Atom NE1 of residue 108
Atom OD1 of residue 74
ARG
Atom C of residue 5
CYS
Atom C of residue 4
Atom CA of residue 1
Atom CD1 of residue 63
P13
Atom CA of residue 2
Atom CG of residue 66
Atom O of residue 79
NormalizeRotation3
VAL
Atom CE of residue 1
Atom CG of residue 83
Atom CA of residue 4
Atom O of residue 47
Atom CG of residue 25
Atom O of residue 22
Atom N of residue 108
Atom CG2 of residue 89
Atom CD2 of residue 38
GLY
Atom N of residue 60
VAL
Atom C of residue 54
P252
VAL
Atom CG of residue 8
Atom CB of residue 3
simple_input.pdb
PHE
Atom CA of residue 3
Atom CB of residue 5
Atom CE1 of residue 3
Atom C of residue 33
ConjugateGradients
Atom O of residue 18
P355
Atom O of residue 101
simple_input.pdb
Atom CE of residue 1
Atom N of residue 91
P1 RigidBodyHierarchy 5
simple_input.pdb
Atom CA of residue 2
Atom C of residue 4
ARG
simple_input.pdb
Atom CD of residue 1
Atom O of residue 45
CYS
Atom CG of residue 5
Atom CH2 of residue 111
Atom C of residue 84
Atom CD of residue 41
Atom O of residue 123
Atom N of residue 3
Atom C of residue 20
Atom OG of residue 100
P14
Atom CA of residue 32
Atom CG2 of residue 2
P354
Atom OE1 of residue 57
Atom CD2 of residue 3
Atom NH2 of residue 68
Atom C of residue 2
Atom NZ of residue 1
Atom CG of residue 119
P8
Atom CB of residue 5
Atom O of residue 122
Atom N of residue 5
Atom CB of residue 73
Atom CG2 of residue 51
simple_input.pdb
Atom CG of residue 61
Atom CA of residue 10
Atom CA of residue 3
Atom CB of residue 3
Atom N of residue 9
Atom C of residue 97
Atom CG1 of residue 29
Chain A
Atom CA of residue 116
Atom O of residue 48
Atom CD of residue 1
Atom N of residue 119
Atom CB of residue 112
Atom NZ of residue 1
P74 RigidBodyHierarchy 0
RigidCPF
Atom CG of residue 3
Atom C of residue 6
Atom CB of residue 42
Atom O of residue 9
Chain A
Atom CA of residue 65
Atom C of residue 2
Atom CD of residue 5
Atom O of residue 60
SER
Atom CE2 of residue 3
Atom N of residue 5
Atom C of residue 1
Atom O of residue 1
Atom N of residue 3
Atom CD1 of residue 83
ExcludedVolumeRestraint5
Atom N of residue 4
Atom O of residue 5
Atom CD1 of residue 3
Atom O of residue 3
Atom CA of residue 108
Atom CE1 of residue 38
P15
Atom C of residue 75
Atom O of residue 2
Atom CA of residue 72
P17
Atom N of residue 2
Atom CA of residue 3
Atom CA of residue 4
Atom CD2 of residue 129
PHE
Atom CG of residue 5
Atom O of residue 20
Atom CB of residue 45
Atom ND2 of residue 74
Atom C of residue 32
Atom CA of residue 5
ModelScoringFunction6
Atom C of residue 2
P14 RigidBodyHierarchy 0
Atom CA of residue 91
Atom C of residue 2
P2
Atom CB of residue 79
LeavesRefiner0
Atom CB of residue 123
Atom C of residue 5
Atom N of residue 1
Atom CB of residue 47
Atom N of residue 23
Atom CZ of residue 3
Atom N of residue 69
ExcludedVolumeRestraint6
Atom CE of residue 96
Atom CB of residue 18
Atom CB of residue 122
P74
P1134
Atom N of residue 1
Atom CA of residue 4
P303
Atom CB of residue 2
Atom CA of residue 2
Atom NE1 of residue 28
Atom NE2 of residue 57
Atom C of residue 53
PHE
Atom CE2 of residue 3
Atom CD1 of residue 23
GridCPF
Atom CD of residue 5
Atom CD1 of residue 56
Atom CB of residue 101
normalize rigid bodies
Atom N of residue 2
Atom N of residue 90
Atom CG1 of residue 2
Atom N of residue 116
Atom CA of residue 38
Atom CD2 of residue 63
Atom C of residue 72
Atom C of residue 3
Chain A
Atom C of residue 2
Atom OD1 of residue 66
Atom N of residue 3
VAL
Atom C of residue 126
AccumulateRigidBodyDerivatives27
LYS
Atom CG2 of residue 2
Atom C of residue 65
Atom OXT of residue 129
Atom N of residue 112
Atom O of residue 84
ASP
Atom CD of residue 1
Atom OE1 of residue 41
ConnectivityRestraint 3
Atom CB of residue 60
Atom CA of residue 2
TRP
P177 rigid body positions
Atom N of residue 101
Atom CA of residue 1
Atom O of residue 2
Model 20
Atom CG2 of residue 2
simple_input.pdb
Atom CA of residue 2
ALA
Atom CG of residue 5
Atom CB of residue 9
Atom CD1 of residue 3
GLY
P6
Atom CA of residue 5
Atom C of residue 3
Atom CD2 of residue 83
Atom CG of residue 73
Atom N of residue 52
P253
Atom CB of residue 2
Atom CB of residue 5
GLY
Atom CZ of residue 5
Atom CB of residue 20
SER
Atom N of residue 11
Atom O of residue 97
P9
Atom CB of residue 3
Atom CG of residue 112
Atom N of residue 2
Atom CG2 of residue 29
P10
Atom O of residue 2
P14
Atom CE1 of residue 3
Atom CD1 of residue 25
Atom N of residue 123
Chain A RigidBodyHierarchy 5
Atom CD1 of residue 3
Atom CA of residue 2
Atom NE of residue 5
Atom O of residue 5
Atom CE2 of residue 108
SampledDensityMap0
Atom NE of residue 5
Atom O of residue 2
ExcludedVolumeRestraint8
Atom OD1 of residue 119
Atom N of residue 2
Chain A RigidBodyHierarchy 11
Atom N of residue 4
LeavesRefiner5
Atom O of residue 33
Atom NZ of residue 96
Atom N of residue 2
Atom CD of residue 61
LeavesRefiner3
Atom N of residue 79
Chain A
KClosePairsPairScore 9
ALA
P74 RigidBodyHierarchy 2
Atom CG1 of residue 2
VAL
Atom O of residue 68
Atom CB of residue 48
Atom CD of residue 1
UpdateRigidBodyMembers9
Atom CA of residue 4
Atom CG1 of residue 2
Atom NH1 of residue 125
Atom CD2 of residue 56
Atom N of residue 43
VAL
VAL
Atom O of residue 3
PairScore 2
LYS
Atom CG1 of residue 2
Atom CA of residue 3
Atom N of residue 73
Atom O of residue 126
PairScore 4
Atom OG1 of residue 47
Atom C of residue 5
TYR
Atom N of residue 4
Atom O of residue 65
GLU
RestraintSet 14
Atom N of residue 1
GLU
Atom C of residue 1
Atom NE2 of residue 41
Atom OG of residue 60
VAL
Atom CA of residue 3
Atom OD2 of residue 18
Atom CE1 of residue 3
Atom O of residue 35
Atom CB of residue 2
Atom N of residue 4
Model 7
Atom C of residue 55
Atom CD2 of residue 23
Atom O of residue 75
LYS
Atom C of residue 19
Atom CB of residue 9
P3
PHE
RestraintSet 11
P0
Atom CD2 of residue 3
ListSingletonContainer13
Atom N of residue 5
Atom CD of residue 45
Atom N of residue 3
Atom N of residue 84
Atom CB of residue 33
PRO
Atom CB of residue 2
KClosePairsPairScore 0
Atom CA of residue 4
Atom NH2 of residue 5
Atom CD2 of residue 20
GLY
Atom CB of residue 2
Atom NH2 of residue 5
Atom N of residue 3
Atom CA of residue 3
ARG
Atom CE of residue 1
Atom CE3 of residue 108
Atom CA of residue 4
Atom N of residue 58
Atom CA of residue 123
GLY
Atom CA of residue 67
Atom NH1 of residue 5
Atom CB of residue 5
Atom O of residue 67
Atom N of residue 3
Atom O of residue 3
ListSingletonContainer17
Atom CG of residue 48
Atom NH1 of residue 5
Atom CA of residue 119
P51 RigidBodyHierarchy 1
Atom CD of residue 5
simple_input.pdb
GLY
Atom O of residue 53
Atom CG of residue 101
P8
input.pdb rigid body positions
Atom O of residue 32
P9
Atom CG2 of residue 2
Atom C of residue 115
Atom CB of residue 5
P1
ARG
Atom C of residue 63
Atom CB of residue 97
Atom CG2 of residue 2
Atom CG of residue 59
Chain A RigidBodyHierarchy 4
Atom CG of residue 123
Atom CA of residue 2
Atom CE2 of residue 28
Atom OD2 of residue 66
Atom CA of residue 2
Atom N of residue 19
Atom CB of residue 84
NormalizeRotation5
Atom N of residue 30
Atom NH2 of residue 125
LYS
Atom CZ of residue 3
ASP
Atom N of residue 127
Atom O of residue 5
simple_input.pdb
Atom CB of residue 65
Atom CZ of residue 5
Atom CB of residue 75
UpdateRigidBodyMembers7
Atom C of residue 4
Atom C of residue 116
Atom C of residue 38
Atom CZ of residue 5
ExcludedVolumeRestraint7
connectivity list
UpdateRigidBodyMembers28
Atom CD of residue 5
Atom CG of residue 79
Atom CA of residue 23
ARG
Atom CA of residue 4
Atom CD of residue 73
PHE
Atom C of residue 5
Atom CE2 of residue 3
Atom NE of residue 61
GLY
Atom NH2 of residue 5
Atom CE2 of residue 38
Atom CG2 of residue 2
UpdateRigidBodyMembers16
Atom C of residue 3
Atom CA of residue 1
ASP
Atom CD of residue 112
Atom O of residue 4
Atom CB of residue 3
PHE
P8
FixedRefiner3
connectivity list
Atom CD2 of residue 25
THR
TRP
P51
Atom CA of residue 90
Atom N of residue 75
LeavesRefiner6
P9
Atom CA of residue 3
Atom CA of residue 2
Atom CG of residue 5
ASN
Atom CG2 of residue 2
Atom C of residue 3
Atom CA of residue 73
Atom N of residue 97
Atom CZ of residue 3
Atom C of residue 5
Atom CB of residue 2
GLY
Atom CA of residue 2
Atom N of residue 5
Atom CD of residue 68
Atom O of residue 55
LYS
Atom CE1 of residue 20
Atom C of residue 119
Atom CZ2 of residue 108
Atom CD of residue 1
Atom CG of residue 5
Atom CA of residue 58
Atom CB of residue 53
Atom NH2 of residue 5
Atom CB of residue 32
Atom CB of residue 10
ARG
Atom C of residue 3
Atom CE2 of residue 3
Atom OD1 of residue 48
LYS
Atom CE of residue 1
Atom CG of residue 84
Atom NE of residue 5
Atom CA of residue 4
Atom CZ of residue 5
Atom CA of residue 7
Atom N of residue 10
P124
ARG
Atom CB of residue 1
Atom NE of residue 45
Atom O of residue 5
Atom O of residue 115
Atom N of residue 57
Atom CZ of residue 3
Atom CA of residue 79
ARG
Atom OD1 of residue 101
Atom CG of residue 1
Atom CE2 of residue 3
Atom CG of residue 3
Atom N of residue 61
Atom NZ of residue 1
Atom CE3 of residue 28
Atom N of residue 36
ASN
Atom C of residue 108
RigidCPF
LEU
CYS
PHE
Atom CG of residue 65
Atom OD2 of residue 119
P0
AccumulateRigidBodyDerivatives17
Atom CA of residue 2
NullModifier5
Atom CE of residue 1
Atom N of residue 36
Atom CG of residue 33
Atom CD of residue 79
CYS
Atom CZ of residue 3
Atom CD1 of residue 123
Atom C of residue 90
Atom NZ of residue 1
Atom CZ of residue 38
ARG
VAL
ARG
Atom CA of residue 3
Atom C of residue 3
Atom NH1 of residue 5
Atom CA of residue 112
Atom CA of residue 101
rigid bodies list
Atom CZ of residue 3
Atom NE of residue 112
Atom CA of residue 1
Atom CA of residue 43
ILE
Atom C of residue 79
Atom N of residue 3
LYS
P1 rigid body positions
6lyz.pdb
Atom CZ of residue 3
Atom CA of residue 3
Atom CB of residue 15
Atom CA of residue 93
LYS
Atom CA of residue 20
Atom CA of residue 3
AccumulateRigidBodyDerivatives25
LYS
Atom NE of residue 5
P13
Atom CB of residue 115
LYS
Atom CD of residue 5
Atom CZ of residue 61
Atom CZ3 of residue 108
Fit restraint scratch map
LEU
Atom CG1 of residue 58
Atom N of residue 1
Atom CG2 of residue 47
Atom C of residue 23
Atom N of residue 26
Atom C of residue 2
Atom O of residue 63
Atom O of residue 119
Atom N of residue 33
Atom N of residue 120
Atom CZ of residue 3
Atom O of residue 1
P25
Atom CD1 of residue 84
P176
ARG
Atom CZ of residue 5
Atom N of residue 5
AccumulateRigidBodyDerivatives9
Atom N of residue 126
Atom O of residue 38
Atom CD of residue 1
Atom CG of residue 75
P177 RigidBodyHierarchy 0
ModelScoringFunction5
Atom C of residue 67
RestraintSet 8
P7
Atom O of residue 52
GLN
AccumulateRigidBodyDerivatives28
Atom O of residue 3
normalize rigid bodies
Atom C of residue 3
Atom N of residue 4
CYS
AccumulateRigidBodyDerivatives0
Atom NH2 of residue 5
Atom CA of residue 35
SoftSpherePairScore 4
Atom N of residue 42
SER
Atom CG of residue 53
Atom CA of residue 20
Atom O of residue 1
VAL
SER
LYS
Atom OD2 of residue 48
Atom C of residue 93
Chain A
Atom CA of residue 4
Atom OD2 of residue 101
P355
Atom C of residue 101
Chain A
Atom C of residue 4
Atom CD2 of residue 3
P14
Atom NE of residue 5
Atom O of residue 116
Atom CE1 of residue 23
P0
Atom NH1 of residue 5
Atom CB of residue 5
Atom N of residue 80
Chain A
Atom CD of residue 35
Atom CD1 of residue 3
Atom N of residue 5
Atom CD2 of residue 3
ARG
P26
P8 RigidBodyHierarchy 1
Atom N of residue 39
P304
Atom N of residue 4
Atom CG of residue 97
Atom N of residue 67
P253
Atom CE2 of residue 3
Atom C of residue 1
PHE
Atom C of residue 1
Atom C of residue 1
Atom C of residue 112
Atom O of residue 90
Atom CZ of residue 112
Atom CD of residue 33
P8
ARG
Atom N of residue 2
Chain A
GridCPF
P5
Atom CA of residue 105
Atom O of residue 19
Atom CA of residue 1
GLY
VAL
Chain A
Atom CB of residue 119
Atom CA of residue 75
Atom CB of residue 1
AccumulateRigidBodyDerivatives7
Atom CA of residue 127
Atom CA of residue 97
Atom C of residue 68
Atom O of residue 108
Atom CE2 of residue 20
Atom C of residue 2
Atom CH2 of residue 108
NullModifier8
Atom CA of residue 84
P74
Atom N of residue 48
Atom N of residue 3
Atom O of residue 23
Atom CB of residue 38
LYS
Fit restraint
Atom C of residue 91
Atom CA of residue 33
Atom N of residue 4
Atom CZ of residue 5
Atom CB of residue 3
Atom CG of residue 35
normalize rigid bodies
Atom CB of residue 63
Atom CD1 of residue 8
Atom CA of residue 30
GLY
Atom O of residue 4
Atom CG of residue 5
Atom C of residue 43
Atom NH1 of residue 5
LeavesRefiner8
Atom CZ of residue 45
Atom CA of residue 5
P6
ALA
Atom O of residue 3
Atom CG of residue 15
P27
Atom OD1 of residue 65
Atom O of residue 2
Atom CA of residue 1
Atom N of residue 2
Atom N of residue 29
GLY
KClosePairsPairScore 5
ListSingletonContainer12
Atom CD1 of residue 3
P354
Atom CE1 of residue 3
GridCPF
Atom CE1 of residue 3
Atom C of residue 2
Atom CD of residue 1
Atom CE of residue 1
Atom CA of residue 120
Atom CB of residue 52
Atom C of residue 1
Atom CB of residue 2
KClosePairsPairScore 1
Atom CD2 of residue 84
simple_input.pdb
PHE
Atom CD1 of residue 75
PHE
Atom NH1 of residue 61
Atom O of residue 54
Atom CB of residue 90
GLY
Atom CE1 of residue 3
ARG
DiameterRestraint center
Atom NH1 of residue 5
Atom O of residue 4
Atom CD1 of residue 3
Atom CD2 of residue 123
Atom O of residue 4
Atom CD of residue 97
Atom N of residue 1
Atom SG of residue 115
Atom CA of residue 57
Atom CZ of residue 3
Atom CA of residue 2
Atom CB of residue 116
Atom CE2 of residue 23
Atom O of residue 112
P51 rigid body positions
RestraintSet 25
Atom NH1 of residue 5
Atom C of residue 4
Atom CB of residue 3
TupleRestraint 7
Atom O of residue 93
Atom N of residue 102
Atom CG of residue 3
Atom CB of residue 108
VAL
Atom O of residue 101
Atom CE2 of residue 3
P1 RigidBodyHierarchy 1
LYS
Atom CZ of residue 5
Atom C of residue 105
Atom CZ of residue 68
Atom CB of residue 19
Atom OE2 of residue 35
UpdateRigidBodyMembers33
TupleRestraint 3
Atom CA of residue 9
Atom NE of residue 68
Atom C of residue 127
CYS
Atom O of residue 79
Atom OE1 of residue 35
Atom CZ of residue 20
PHE
Atom C of residue 30
Atom C of residue 84
ASP
Atom CB of residue 23
Atom CG of residue 38
Atom O of residue 2
ASN
Atom O of residue 91
Atom CD2 of residue 8
Atom N of residue 49
Atom N of residue 3
RigidCPF
Atom CG of residue 1
Atom C of residue 5
Atom C of residue 5
Atom CB of residue 3
Atom N of residue 4
simple_input.pdb
Atom CD1 of residue 53
Atom NH2 of residue 5
PHE
Chain A
Atom NH1 of residue 45
VAL
Atom CE of residue 1
Atom CA of residue 42
P1137
ListSingletonContainer8
Atom N of residue 4
ARG
Atom C of residue 75
VAL
Model 0
Atom OD1 of residue 52
Atom CG1 of residue 2
Model 5
Atom CA of residue 26
Atom CE of residue 1
Atom CG of residue 1
AccumulateRigidBodyDerivatives4
simple_input.pdb
Atom CB of residue 2
Atom CD of residue 5
Atom O of residue 43
Atom C of residue 58
ARG
Atom C of residue 2
Atom N of residue 1
Atom ND2 of residue 65
Atom CD2 of residue 3
Atom CB of residue 112
Atom O of residue 1
Atom NH2 of residue 5
Atom CA of residue 126
Atom O of residue 10
Atom NH2 of residue 5
Atom NE1 of residue 123
Atom CG of residue 108
Atom O of residue 5
Atom CE of residue 97
simple_input.pdb
Atom NH1 of residue 5
Atom C of residue 2
PHE
Atom O of residue 105
Atom N of residue 5
Atom CZ of residue 23
Atom CA of residue 5
PHE
Atom NZ of residue 1
Atom CE2 of residue 3
LYS
Atom NH2 of residue 61
RigidCPF
Atom CB of residue 79
Atom N of residue 55
Atom C of residue 4
AccumulateRigidBodyDerivatives34
Atom N of residue 4
Atom O of residue 30
P44
Atom N of residue 1
Atom C of residue 1
GridCPF
Atom CG of residue 119
GLY
Atom CB of residue 91
Atom C of residue 57
Atom C of residue 123
Atom CG of residue 1
P33
Atom CE2 of residue 3
Atom CE of residue 33
Atom ND1 of residue 15
Atom CA of residue 48
Atom CA of residue 39
Atom CA of residue 116
P0
Atom N of residue 1
simple_input.pdb
Atom O of residue 1
Atom N of residue 85
Atom N of residue 109
Atom N of residue 1
Atom CB of residue 93
Atom CZ of residue 5
Atom N of residue 4
GLY
Atom OE2 of residue 35
Atom CB of residue 101
Atom NH2 of residue 45
Atom CB of residue 10
Atom CD2 of residue 53
Atom C of residue 26
Atom O of residue 4
Atom CB of residue 14
PHE
Chain A
Atom CZ of residue 68
Atom CE1 of residue 3
Atom CA of residue 3
Atom O of residue 72
Atom CD of residue 1
Atom O of residue 84
Atom NE of residue 5
Atom CE2 of residue 3
P47
Atom C of residue 42
Atom NE of residue 5
Atom C of residue 97
Atom O of residue 3
Atom C of residue 126
Atom CE2 of residue 3
Atom N of residue 1
Atom C of residue 10
Atom CE1 of residue 3
Atom NH1 of residue 112
SAXS restraint
Atom CA of residue 2
Atom O of residue 4
Atom CB of residue 105
Atom O of residue 2
Atom CA of residue 66
Atom CE1 of residue 3
Atom CD2 of residue 75
Atom N of residue 91
PHE
Model 1
UnaryFunction10
Atom CA of residue 4
Atom CG2 of residue 2
ExcludedVolumeRestraint2
Atom OD2 of residue 52
Atom NH2 of residue 5
Atom CA of residue 80
Atom OH of residue 23
ListSingletonContainer19
Atom CD of residue 1
Atom NZ of residue 1
Atom CB of residue 1
Atom CG of residue 116
Atom CG of residue 79
Atom CD1 of residue 38
PHE
RestraintSet 3
Atom CG1 of residue 2
Chain A
Atom CG of residue 20
Atom N of residue 1
Atom CZ of residue 14
Atom CB of residue 43
Atom NH1 of residue 68
Atom O of residue 58
Atom CA of residue 1
Atom OG of residue 91
ARG
Atom CA of residue 61
Atom CB of residue 5
P1 RigidBodyHierarchy 7
Atom O of residue 123
Atom CA of residue 55
Atom CD of residue 1
Atom NZ of residue 33
Atom N of residue 116
GLY
Atom C of residue 2
Atom CD2 of residue 108
Atom CA of residue 1
Atom O of residue 75
Atom C of residue 33
Atom NZ of residue 97
Atom N of residue 11
Atom O of residue 127
UpdateRigidBodyMembers34
Atom CZ of residue 5
ARG
GLY
DistancePairScore 5
Atom CB of residue 2
Atom O of residue 57
SoftSpherePairScore 2
Atom N of residue 4
GLY
P48
Atom N of residue 2
Atom CD2 of residue 8
Atom CB of residue 5
Atom CD1 of residue 3
Atom NZ of residue 1
P51 rigid body positions
Atom C of residue 4
Atom C of residue 1
Atom C of residue 80
Atom O of residue 26
Atom C of residue 1
LYS
PHE
LYS
Atom CZ of residue 5
Atom C of residue 48
Chain A
Atom CA of residue 4
Atom C of residue 39
Atom O of residue 97
Atom C of residue 36
Atom CG1 of residue 2
Atom O of residue 4
Atom N of residue 5
Atom C of residue 5
Atom CA of residue 3
VAL
Atom C of residue 36
LYS
normalize rigid bodies
Atom CA of residue 102
Atom N of residue 46
Atom NH2 of residue 112
Atom CB of residue 72
Atom O of residue 126
Atom CG of residue 105
Atom N of residue 62
ARG
Atom CE1 of residue 53
ILE
Atom N of residue 76
Atom CA of residue 91
ARG
Atom CB of residue 75
Atom CG of residue 14
Atom CB of residue 3
Atom N of residue 1
Atom OD1 of residue 119
Atom C of residue 120
Atom NH1 of residue 5
UnaryFunction17
Atom CB of residue 84
Atom CZ of residue 5
Atom N of residue 24
Atom CG of residue 112
Atom N of residue 2
GLY
Atom CB of residue 123
Atom CD1 of residue 108
Atom O of residue 4
Atom CZ of residue 3
Atom CB of residue 30
P1 rigid body positions
Atom O of residue 35
Atom O of residue 42
Atom CG2 of residue 43
ListSingletonContainer9
Atom CG of residue 1
TupleRestraint 4
PHE
Atom CG of residue 1
Atom C of residue 61
Atom CB of residue 127
Atom CG of residue 1
Atom O of residue 2
Atom CA of residue 5
Atom CD1 of residue 3
Atom CD1 of residue 3
P16
LYS
Atom CA of residue 49
Atom NH1 of residue 5
P177
P124
P1
Atom C of residue 3
GLY
SER
Atom O of residue 19
Atom CG1 of residue 2
P1 RigidBodyHierarchy 6
Atom CE2 of residue 3
Atom CE2 of residue 123
Atom CD of residue 1
PairScore 6
ExcludedVolumeRestraint0
Atom N of residue 5
Atom CB of residue 57
Atom CG of residue 23
Atom CD2 of residue 38
P176
Atom CE of residue 1
Atom N of residue 9
UnaryFunction19
Atom CA of residue 5
Chain A RigidBodyHierarchy 15
Atom C of residue 1
Atom CB of residue 97
Atom CD of residue 116
Atom CE2 of residue 3
Atom N of residue 5
Atom C of residue 5
Atom N of residue 66
SER
Atom N of residue 4
P43
Atom N of residue 127
Atom CG of residue 1
Atom CD of residue 5
Atom O of residue 36
Atom CG of residue 75
Atom NH1 of residue 14
Atom O of residue 36
Atom N of residue 34
ARG
Atom CD2 of residue 3
Atom C of residue 4
TRP
Atom O of residue 3
Atom CG of residue 93
Atom CD of residue 79
Atom CA of residue 68
Atom CG of residue 19
UpdateRigidBodyMembers2
Atom CZ of residue 3
Atom CD1 of residue 20
Atom CG of residue 101
UnaryFunction14
Atom O of residue 80
Atom CA of residue 3
Atom C of residue 3
AccumulateRigidBodyDerivatives43
Atom NH2 of residue 5
Atom N of residue 1
Atom O of residue 48
UpdateRigidBodyMembers22
ListSingletonContainer6
Atom CD of residue 5
Atom CG of residue 123
ARG
Atom O of residue 4
Atom O of residue 39
Atom O of residue 14
P14 rigid body positions
Atom O of residue 1
Atom N of residue 1
Atom O of residue 120
Atom NH1 of residue 5
Atom CA of residue 4
Atom CG of residue 52
Atom O of residue 61
Atom SG of residue 127
Atom CA of residue 14
simple_input.pdb
SampledDensityMap4
CYS
P45
input.pdb
Atom C of residue 116
Atom NH2 of residue 5
Atom CA of residue 4
Atom CA of residue 85
Atom C of residue 92
Atom CG1 of residue 2
LYS
Atom N of residue 16
P124
ARG
Atom C of residue 1
Atom CE3 of residue 123
Atom CE of residue 1
VAL
Atom CA of residue 11
SER
VAL
Atom SG of residue 30
Atom NH2 of residue 5
KClosePairsPairScore 6
Atom CB of residue 42
Atom N of residue 2
Atom CG2 of residue 2
Atom CE2 of residue 53
ARG
Atom N of residue 113
Atom O of residue 33
Atom NH1 of residue 5
Atom OG1 of residue 43
Atom N of residue 27
Atom OD1 of residue 27
P13
Atom OG of residue 72
Atom SD of residue 105
ASP
pdb_log_000.py
GLY
Atom CG2 of residue 2
Atom N of residue 2
Atom C of residue 3
DiameterRestraint0
Atom NH2 of residue 14
Atom CB of residue 120
Atom N of residue 98
UnaryFunction8
NullModifier6
Chain A
Atom CD of residue 112
Atom CA of residue 4
Atom NZ of residue 1
Atom C of residue 49
Atom OD1 of residue 93
Atom CD1 of residue 23
Atom OD1 of residue 19
Atom N of residue 4
Atom OD1 of residue 101
Atom CA of residue 109
Atom C of residue 1
Atom NZ of residue 1
Atom C of residue 29
Atom N of residue 2
Atom C of residue 2
Atom C of residue 3
Atom CE of residue 116
Atom C of residue 102
Atom CE2 of residue 3
VAL
Atom O of residue 4
Atom NH1 of residue 5
Atom CD of residue 1
Atom CD of residue 5
P125 RigidBodyHierarchy 1
Atom CA of residue 2
Atom CA of residue 127
Atom CD2 of residue 3
P354
Atom CB of residue 33
PHE
Atom NH2 of residue 5
LYS
Atom NH2 of residue 5
Atom CB of residue 61
Atom NH1 of residue 5
Atom CB of residue 3
Atom N of residue 80
Atom CA of residue 76
Atom OD2 of residue 119
Atom SG of residue 6
Atom CG2 of residue 2
Atom CB of residue 80
Atom CA of residue 5
Atom CG of residue 97
Atom CA of residue 4
Atom N of residue 37
UpdateRigidBodyMembers40
Atom CE1 of residue 3
Atom CA of residue 62
Atom CB of residue 36
Atom CA of residue 2
Atom CG of residue 45
Atom CG of residue 84
Atom CB of residue 36
Atom CG of residue 57
P1
Atom NE of residue 5
Atom ND2 of residue 27
Atom CB of residue 39
UpdateRigidBodyMembers23
Atom C of residue 31
P1 rigid body positions
ListSingletonContainer14
Atom CD of residue 1
ASN
Atom C of residue 3
Atom CD1 of residue 75
Atom C of residue 4
Atom N of residue 2
Atom CB of residue 2
RestraintSet 21
Atom C of residue 14
Atom C of residue 27
AccumulateRigidBodyDerivatives31
Atom CA of residue 5
Atom CG1 of residue 120
Atom O of residue 11
Atom CZ of residue 3
Atom O of residue 92
Atom C of residue 4
CYS
GLY
Atom CZ2 of residue 123
VAL
Atom O of residue 1
Chain A
ILE
Atom CB of residue 48
Atom O of residue 102
Chain A
Atom C of residue 93
Atom C of residue 12
Atom N of residue 120
Atom CA of residue 7
Chain A RigidBodyHierarchy 6
Atom N of residue 43
Atom N of residue 5
Atom NZ of residue 1
Atom ND2 of residue 93
Atom N of residue 3
Atom ND2 of residue 19
Atom C of residue 85
Atom OD2 of residue 101
Atom C of residue 109
simple_input.pdb
Atom O of residue 5
Atom O of residue 3
Atom CG of residue 3
Atom CZ of residue 3
Atom CA of residue 24
P3
RigidCPF
VAL
Atom N of residue 128
Atom CE of residue 105
Atom C of residue 4
P12
Model 24
Atom O of residue 49
GLY
Atom NE1 of residue 108
Atom C of residue 4
Atom N of residue 15
Atom CA of residue 34
Atom CZ of residue 53
Chain A
Atom CA of residue 4
Atom CG of residue 61
Atom NH2 of residue 5
Atom C of residue 62
Atom CA of residue 1
Atom CD1 of residue 123
Atom CA of residue 80
Atom CD2 of residue 23
Atom CG1 of residue 2
Atom CE1 of residue 38
Atom CA of residue 29
Atom O of residue 29
Atom O of residue 116
Atom NZ of residue 116
Atom CA of residue 2
Chain A rigid body positions
ASN
Atom N of residue 5
VAL
TupleRestraint 1
LYS
Atom NE of residue 112
Atom O of residue 12
Atom CB of residue 5
Atom N of residue 2
Atom CE1 of residue 3
Atom CD1 of residue 84
Atom N of residue 44
Atom CG of residue 3
Atom CG of residue 48
RestraintSet 22
Atom CG2 of residue 58
simple_input.pdb
P4
Atom N of residue 5
Atom CA of residue 10
Atom C of residue 76
Atom CD of residue 97
AccumulateRigidBodyDerivatives35
Atom CB of residue 29
P12
Atom C of residue 52
Atom OG of residue 36
Atom C of residue 3
Atom CZ3 of residue 123
Atom CA of residue 98
Atom OG of residue 36
Atom CG of residue 1
Atom CB of residue 5
Atom O of residue 27
Atom C of residue 66
Atom N of residue 103
Atom CA of residue 5
Atom O of residue 68
Atom C of residue 91
Atom C of residue 2
Atom CB of residue 1
RestraintSet 17
Atom CA of residue 3
P304
Atom N of residue 94
Atom CA of residue 3
P1
6lyz.pdb
Atom N of residue 102
Atom CD2 of residue 3
Atom CD2 of residue 75
Atom O of residue 31
Atom CA of residue 3
Atom CB of residue 3
Atom CG of residue 5
UpdateRigidBodyMembers31
Atom CA of residue 106
Atom CA of residue 113
Chain A
simple_input.pdb
AccumulateRigidBodyDerivatives30
GLY
Atom O of residue 85
Atom CG of residue 33
Atom OH of residue 53
Atom O of residue 93
Atom CG of residue 39
Atom CA of residue 120
P4
Atom C of residue 4
Atom C of residue 2
Atom CA of residue 43
Atom CA of residue 16
Atom CD of residue 57
Atom N of residue 8
P51
Atom N of residue 28
Atom CZ of residue 112
Atom O of residue 4
Atom CA of residue 2
Atom O of residue 109
ARG
Atom O of residue 62
UnaryFunction7
GLY
Atom C of residue 2
Atom C of residue 37
ARG
Atom O of residue 2
Atom C of residue 5
P125
Atom CD2 of residue 84
Atom N of residue 50
DistancePairScore 8
Atom CE2 of residue 38
Atom N of residue 4
RestraintSet 0
Fit restraint
Atom CA of residue 1
Atom CB of residue 116
Atom OD1 of residue 48
Atom CB of residue 3
P253
Atom N of residue 2
Atom CD2 of residue 3
Atom CB of residue 3
Atom CG2 of residue 2
Chain A
simple_input.pdb
Atom CE1 of residue 23
VAL
Atom CG2 of residue 120
/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/input/data/in.mrc
Atom CA of residue 1
PHE
Atom N of residue 1
Atom CG1 of residue 29
Model 15
Atom CB of residue 14
Atom CA of residue 4
Atom CG of residue 25
Atom SG of residue 80
RestraintSet 23
Atom C of residue 2
P0
P10
FixedRefiner1
Atom CB of residue 12
Atom CB of residue 92
Atom C of residue 98
DiameterRestraint center
Atom CD of residue 1
ASN
Atom CB of residue 1
Atom CB of residue 2
Atom CD of residue 5
Atom CA of residue 5
Atom CD1 of residue 58
GLY
Atom CA of residue 6
P51 RigidBodyHierarchy 0
VAL
P28
Atom CG2 of residue 109
Atom CG of residue 5
Atom N of residue 117
Atom CD2 of residue 123
CYS
Atom N of residue 20
Atom C of residue 15
Atom CA of residue 37
Atom CG of residue 1
Atom CA of residue 4
Atom CB of residue 31
Atom CA of residue 37
Atom CB of residue 62
ASN
Atom CA of residue 4
Atom C of residue 24
UpdateRigidBodyMembers29
Atom NH1 of residue 5
Atom C of residue 1
Atom C of residue 16
Atom OE1 of residue 57
P253 rigid body positions
Atom CA of residue 8
TRP
Atom O of residue 91
Atom CB of residue 2
Atom C of residue 113
Atom CB of residue 11
Atom C of residue 34
THR
Atom N of residue 3
Atom CZ2 of residue 63
Atom CZ of residue 38
simple_input.pdb
P11
Atom NZ of residue 1
Chain A
Atom N of residue 110
Atom O of residue 37
P125 rigid body positions
Atom CA of residue 5
Atom O of residue 1
Atom CD of residue 61
Atom CG of residue 3
Atom O of residue 76
Atom N of residue 85
Chain A
Atom CE1 of residue 3
Atom N of residue 2
Atom CB of residue 85
Atom CE1 of residue 3
Atom C of residue 2
RestraintSet 18
UnaryFunction16
Atom CH2 of residue 123
Atom CE2 of residue 108
Atom CB of residue 93
Atom O of residue 2
P29
LYS
Atom CA of residue 4
ARG
LeavesRefiner1
Atom CB of residue 27
Atom O of residue 2
Atom CG of residue 3
Atom C of residue 1
Atom N of residue 81
Atom CE of residue 97
Atom O of residue 66
Atom NZ of residue 1
Atom CG1 of residue 92
Atom CG1 of residue 2
Atom N of residue 106
SER
simple_input.pdb
GLY
P1 RigidBodyHierarchy 4
Atom NE of residue 5
Atom N of residue 121
Atom OH of residue 20
Atom OD2 of residue 48
GLY
VAL
DistancePairScore 6
Atom CD of residue 33
Atom CG of residue 14
Atom C of residue 1
connectivity list
Atom C of residue 4
Atom N of residue 54
Atom O of residue 15
Atom CB of residue 2
Atom CA of residue 2
Atom C of residue 127
CYS
Atom O of residue 24
Chain A
GLY
ASN
Atom O of residue 1
Atom CB of residue 76
Atom CB of residue 91
P35
AccumulateRigidBodyDerivatives36
Atom O of residue 98
Atom N of residue 12
Atom O of residue 34
Atom C of residue 3
Atom C of residue 4
Atom C of residue 8
Atom NH2 of residue 5
Atom CG of residue 1
Atom NE2 of residue 57
Atom C of residue 80
Atom CE2 of residue 23
PHE
Atom OD1 of residue 39
Atom CD of residue 1
ASN
Atom CB of residue 2
Atom CA of residue 103
Atom N of residue 39
TYR
Atom CE3 of residue 108
Atom N of residue 2
UnaryFunction13
P9
LYS
Atom CB of residue 3
Atom CG of residue 12
Atom O of residue 113
Model 6
Atom CE1 of residue 3
Atom CD2 of residue 15
connectivity list
Atom CA of residue 110
Atom CD of residue 1
Atom N of residue 124
P1 RigidBodyHierarchy 0
Atom CG2 of residue 29
Atom C of residue 3
Atom C of residue 43
Atom CG of residue 116
Chain A
Atom CA of residue 5
Atom CD1 of residue 3
connectivity list
Atom CA of residue 1
Atom NE1 of residue 123
Atom N of residue 4
Atom NH1 of residue 112
Atom CB of residue 2
VAL
ALA
P36
Atom N of residue 76
Atom N of residue 21
SER
Atom NE of residue 61
Atom NZ of residue 97
Atom NE of residue 5
Atom CA of residue 44
P51
Atom OE2 of residue 7
RestraintSet 19
Atom CB of residue 66
Atom CA of residue 28
Atom CB of residue 24
Atom CA of residue 5
Atom CG2 of residue 92
VAL
Atom CB of residue 2
Atom CZ of residue 5
simple_input.pdb
ASN
Atom O of residue 5
Atom C of residue 4
Atom C of residue 4
GLY
GLN
Atom O of residue 4
Atom CD1 of residue 25
Atom N of residue 5
Atom CA of residue 5
Atom CG1 of residue 2
Atom CG of residue 27
Atom CG of residue 93
Atom C of residue 118
VAL
Atom CA of residue 50
Atom O of residue 4
GLY
Atom C of residue 4
Atom CA of residue 5
Atom CE of residue 1
Atom CA of residue 94
Atom NZ of residue 1
Chain A
Atom CA of residue 102
P2
CYS
Atom O of residue 127
Atom CA of residue 2
Atom CZ of residue 23
Atom CZ3 of residue 63
Atom OG of residue 91
Atom CB of residue 1
Atom CA of residue 128
Atom CD1 of residue 3
Atom O of residue 4
Atom CG of residue 62
Atom OG of residue 85
P74 rigid body positions
Atom N of residue 8
Atom N of residue 68
Atom N of residue 3
TupleRestraint 5
Atom ND2 of residue 39
Atom N of residue 7
CYS
P13
Atom O of residue 80
ASN
P19
Chain A
P14
Atom C of residue 110
Atom CA of residue 117
Atom CE of residue 1
Atom NZ of residue 1
Atom C of residue 4
Atom CZ2 of residue 108
Chain A RigidBodyHierarchy 12
VAL
Atom CB of residue 37
Atom CG2 of residue 2
Atom O of residue 1
Atom N of residue 3
Atom C of residue 120
Atom CB of residue 113
DiameterRestraint5
Atom CB of residue 98
MET
Atom CB of residue 34
Atom N of residue 49
Atom CG1 of residue 2
Atom CA of residue 2
Atom N of residue 4
SER
RestraintSet 24
Atom C of residue 28
P16
Atom CE of residue 33
LYS
Atom CA of residue 7
P303 rigid body positions
P2
LEU
P1 RigidBodyHierarchy 3
DiameterRestraint1
Model 14
PHE
Atom NH2 of residue 112
Atom CB of residue 1
Atom CB of residue 1
NullModifier2
Atom CA of residue 6
LYS
Atom CA of residue 81
P1
P125 RigidBodyHierarchy 0
Atom CD of residue 5
ASN
Atom CG of residue 66
ARG
P1 RigidBodyHierarchy 8
Atom N of residue 93
Atom CB of residue 2
P1
Atom CA of residue 59
Atom CH2 of residue 63
simple_input.pdb
Atom SG of residue 76
Atom CA of residue 2
Atom CE1 of residue 3
UpdateRigidBodyMembers26
P0
P35
Atom CE1 of residue 15
Atom N of residue 58
Atom CA of residue 1
Atom C of residue 103
Atom N of residue 30
Atom CG1 of residue 109
Atom O of residue 3
P20
Atom N of residue 31
Atom N of residue 5
TupleRestraint 6
Atom CB of residue 127
Atom O of residue 43
Chain A RigidBodyHierarchy 1
Atom CB of residue 2
Atom C of residue 2
Atom N of residue 5
Atom C of residue 5
DiameterRestraint4
Atom C of residue 128
SingletonConstraint 0
Atom CD of residue 1
Atom NE of residue 68
VAL
Atom C of residue 94
Atom C of residue 102
Atom CA of residue 21
Atom CD of residue 116
Atom CA of residue 111
Atom OH of residue 23
Atom N of residue 3
Atom OD1 of residue 93
Atom CG1 of residue 2
P4 rigid body positions
P51 RigidBodyHierarchy 5
Atom CZ of residue 5
Atom CA of residue 88
Atom N of residue 5
Atom N of residue 1
Atom N of residue 2
P18
LEU
LYS
Atom CA of residue 4
Atom N of residue 40
LYS
Atom CE2 of residue 123
ILE
Atom O of residue 3
Atom NZ of residue 33
Atom NH1 of residue 5
P14
Atom N of residue 2
Atom N of residue 98
Atom C of residue 117
Atom CA of residue 2
P51 rigid body positions
Atom CZ3 of residue 108
P36
Atom CG1 of residue 2
Atom CA of residue 54
AccumulateRigidBodyDerivatives26
Atom CA of residue 76
Atom CG2 of residue 98
Atom CG of residue 1
Atom CA of residue 12
Atom CD2 of residue 3
Atom C of residue 50
Atom CG1 of residue 2
Atom N of residue 64
Atom CG of residue 35
Atom SD of residue 12
Atom N of residue 86
GLY
Atom CA of residue 85
Atom C of residue 106
Atom CB of residue 58
Atom N of residue 2
Atom CA of residue 3
Atom CD1 of residue 3
Atom C of residue 2
simple_input.pdb
Atom CG of residue 1
Atom CA of residue 59
PHE
Atom CD2 of residue 25
FixedRefiner0
P252
Fit restraint scratch map
Atom CB of residue 1
Atom O of residue 28
Chain A
Atom O of residue 120
AccumulateRigidBodyDerivatives32
P74
Atom C of residue 3
Atom C of residue 1
Atom NE of residue 5
Atom O of residue 4
P3
Atom CG of residue 37
Atom CG of residue 1
Atom SG of residue 127
SingletonModifier 3
Atom CZ of residue 61
Atom CA of residue 39
ARG
Atom CG of residue 34
Atom O of residue 1
Atom CA of residue 3
Atom CA of residue 58
TRP
Atom OG of residue 24
Atom N of residue 92
Atom CB of residue 109
Atom CA of residue 2
P177
Atom NH2 of residue 5
Atom CA of residue 31
P15
Atom CD1 of residue 62
Atom CG of residue 5
Chain A
Atom CG1 of residue 2
Atom O of residue 128
ListSingletonContainer3
Atom N of residue 88
Atom N of residue 113
SingletonConstraint 4
Atom O of residue 103
Atom CB of residue 3
Atom CA of residue 1
Atom CA of residue 1
VAL
Atom N of residue 77
Atom C of residue 1
VAL
Atom C of residue 76
Atom CB of residue 8
VAL
Atom C of residue 19
Atom C of residue 2
Atom CA of residue 27
Atom CG2 of residue 2
Atom CD of residue 5
Atom CB of residue 120
P16
ConjugateGradients
Atom CB of residue 43
Atom CA of residue 69
P303
Atom CE3 of residue 123
Atom C of residue 54
ARG
Atom O of residue 5
Atom CG2 of residue 2
Atom N of residue 3
P4
ILE
Atom CE of residue 1
Atom O of residue 94
Atom CE of residue 1
Atom CH2 of residue 108
Atom O of residue 102
Atom CE2 of residue 3
Atom CA of residue 121
Atom C of residue 3
Atom CE of residue 116
GLY
Atom ND2 of residue 93
Atom CB of residue 3
Atom CG of residue 113
Atom CE of residue 1
P30
Atom OE1 of residue 7
Atom CA of residue 2
ARG
Atom OD1 of residue 66
Atom CG2 of residue 2
Atom CB of residue 28
Atom CE of residue 12
Atom C of residue 85
Atom O of residue 3
THR
ILE
ARG
Atom CB of residue 80
Atom CG of residue 3
ALA
Atom C of residue 59
SingletonConstraint 3
UpdateRigidBodyMembers41
Chain A
Atom O of residue 50
Atom CA of residue 2
Atom N of residue 69
Atom CD1 of residue 3
Atom C of residue 2
P18
Atom CA of residue 68
Atom CA of residue 124
CYS
Atom N of residue 6
Atom O of residue 1
ConnectivityRestraint 9
Atom NE2 of residue 15
Atom CB of residue 128
Atom C of residue 81
Atom CA of residue 64
Atom CA of residue 4
rigid bodies list
Atom CG1 of residue 98
Atom C of residue 44
Atom C of residue 20
Atom NZ of residue 1
Atom CD2 of residue 3
Atom CG of residue 1
Atom OD1 of residue 37
Atom O of residue 3
ILE
Atom CD of residue 1
ASN
Atom CZ of residue 5
Atom CD of residue 14
P31
Atom O of residue 10
ListSingletonContainer2
Atom CZ of residue 5
Atom CG1 of residue 120
Atom C of residue 35
UpdateRigidBodyMembers35
Atom CA of residue 3
SoftSpherePairScore 1
MET
SingletonModifier 0
Atom CG2 of residue 2
Atom N of residue 24
VAL
Atom C of residue 1
Atom CB of residue 121
Atom N of residue 4
Atom CG2 of residue 43
Atom C of residue 69
Atom CZ2 of residue 123
Atom CE of residue 1
Atom CA of residue 98
Atom C of residue 2
Chain A rigid body positions
Atom C of residue 124
Atom CB of residue 5
GLU
Atom CB of residue 3
P9
Atom N of residue 10
DiameterRestraint center
Atom O of residue 81
Atom NH1 of residue 61
Atom CA of residue 49
Atom N of residue 1
Atom CB of residue 103
Atom C of residue 39
Atom CG of residue 3
Atom CE1 of residue 3
AccumulateRigidBodyDerivatives13
Atom O of residue 117
Atom NZ of residue 1
Atom N of residue 13
Atom CB of residue 55
P51 RigidBodyHierarchy 2
Atom CG of residue 8
Atom N of residue 128
Atom CG of residue 3
Atom CE of residue 1
Atom CA of residue 40
SER
Atom NE of residue 5
Atom C of residue 2
Atom O of residue 2
LeavesRefiner4
CYS
Atom N of residue 25
Atom N of residue 92
P6
Atom O of residue 18
Atom O of residue 106
Atom C of residue 5
Atom CB of residue 94
THR
Atom N of residue 103
Atom NE of residue 14
Atom O of residue 2
Atom N of residue 34
P303
Atom NZ of residue 116
Atom CG of residue 20
Atom CA of residue 3
Atom N of residue 94
Atom N of residue 5
Atom CA of residue 30
Atom NZ of residue 1
ALA
Atom CG of residue 128
UnaryFunction3
Atom SG of residue 80
Atom OD2 of residue 66
Atom CA of residue 2
LYS
PHE
Atom O of residue 85
P303
LYS
Atom CG of residue 1
Chain A RigidBodyHierarchy 8
input.pdb
Atom CD1 of residue 3
Atom CB of residue 1
Atom O of residue 59
Atom CB of residue 50
P74 RigidBodyHierarchy 3
Chain A rigid body positions
SingletonConstraint 2
PairScore 3
VAL
P15
Atom CD2 of residue 62
Atom O of residue 2
ASN
Atom CG of residue 3
Atom OD1 of residue 113
ALA
P7
Atom CD1 of residue 34
Atom O of residue 69
Atom C of residue 4
Atom O of residue 6
Atom CZ3 of residue 123
P124
Atom O of residue 76
Atom ND2 of residue 37
Atom CA of residue 2
Atom N of residue 118
HIS
Atom O of residue 124
Atom N of residue 1
Atom CA of residue 4
Atom CZ of residue 3
Atom NH2 of residue 61
Atom O of residue 4
P175
Atom CD1 of residue 3
AccumulateRigidBodyDerivatives22
Atom O of residue 110
Atom CB of residue 2
Atom N of residue 5
Atom CG of residue 28
Atom CA of residue 113
Atom N of residue 109
GLY
Model 17
Atom CA of residue 105
Atom CB of residue 106
Fit restraint scratch map
Atom O of residue 2
Atom CA of residue 5
SER
Atom N of residue 71
Atom CA of residue 86
Atom C of residue 88
Atom CG of residue 1
Atom OG1 of residue 43
Atom C of residue 98
Atom CG1 of residue 55
Atom CD1 of residue 98
Atom CB of residue 81
Atom NE1 of residue 62
Atom CD1 of residue 20
Atom C of residue 30
KClosePairsPairScore 2
Atom C of residue 11
Atom C of residue 21
Atom C of residue 4
rigid bodies list
LEU
LYS
Atom CA of residue 103
Atom CD1 of residue 8
ARG
Atom CB of residue 1
P125
Atom CD2 of residue 3
Atom CA of residue 94
Atom C of residue 40
Atom CA of residue 5
Atom NH1 of residue 5
simple_input.pdb
Atom C of residue 49
Atom CB of residue 2
Frag4
Atom NH1 of residue 5
VAL
Atom O of residue 16
P251 RigidBodyHierarchy 0
PHE
P1
Atom C of residue 55
Atom CG2 of residue 120
PHE
Atom CE2 of residue 3
Atom O of residue 44
Atom CG of residue 103
RestraintSet 4
Atom CG of residue 5
Atom CB of residue 76
Atom O of residue 105
Atom CG of residue 1
Atom N of residue 81
Atom CB of residue 124
Atom CA of residue 77
Atom CD of residue 5
Atom ND2 of residue 113
Atom CA of residue 12
simple_input.pdb
Atom CG of residue 121
Atom CB of residue 85
Atom OD1 of residue 59
Atom CD2 of residue 34
Atom CB of residue 69
Atom N of residue 3
Model 18
RestraintSet 9
Atom C of residue 86
P51 RigidBodyHierarchy 6
Atom CG of residue 18
Atom C of residue 58
THR
Atom CA of residue 15
Atom CB of residue 2
Atom O of residue 21
Atom CD2 of residue 3
Atom CB of residue 110
Atom O of residue 39
Atom CE2 of residue 3
Atom N of residue 117
Atom CB of residue 1
Atom CE of residue 1
Atom NH2 of residue 5
Atom O of residue 14
Atom CG of residue 106
P49
Atom C of residue 5
GLY
P10
Atom O of residue 88
AccumulateRigidBodyDerivatives24
Atom C of residue 113
Atom CA of residue 4
Atom CG2 of residue 55
Atom NH1 of residue 5
Atom N of residue 99
Atom CA of residue 5
Atom C of residue 3
Atom O of residue 4
Atom OG of residue 50
Atom CE2 of residue 3
Atom C of residue 5
Atom N of residue 3
Atom C of residue 5
Atom N of residue 67
ARG
Atom CE1 of residue 3
VAL
Atom CA of residue 13
Atom NZ of residue 1
Atom N of residue 17
Atom CB of residue 105
Atom C of residue 5
Atom C of residue 77
Atom CD of residue 1
Atom CD of residue 128
Atom O of residue 98
Atom CB of residue 5
Atom CD2 of residue 20
P14
Atom CA of residue 92
Atom CA of residue 92
Atom CB of residue 1
Atom N of residue 5
GridCPF
UpdateRigidBodyMembers3
Atom CZ of residue 3
Atom O of residue 5
Atom CG1 of residue 58
Atom N of residue 114
Atom C of residue 1
simple_input.pdb
Atom CG of residue 1
Atom C of residue 1
Atom CZ of residue 3
ConjugateGradients
Atom SG of residue 94
NormalizeRotation8
Atom CB of residue 39
P8
P2
Atom CA of residue 1
Chain A
ASN
Atom O of residue 30
Atom SG of residue 76
Atom N of residue 62
Atom O of residue 49
Atom CA of residue 81
Atom CA of residue 25
CYS
Atom CB of residue 21
Atom CE1 of residue 34
Atom O of residue 55
Atom CD1 of residue 28
Atom NE of residue 5
Atom N of residue 121
Atom NH2 of residue 5
Atom N of residue 1
GLY
FixedRefiner2
Atom CB of residue 44
Atom N of residue 4
Atom CB of residue 3
P12
Atom CH2 of residue 123
P0
P8 RigidBodyHierarchy 0
LYS
Atom OG of residue 81
Atom N of residue 3
P252
Atom N of residue 44
Atom CD of residue 1
Chain A
P15
ASN
Atom CD of residue 121
SER
Atom CA of residue 110
Atom C of residue 4
Atom C of residue 2
Atom C of residue 64
Atom CZ of residue 5
Atom O of residue 40
Atom O of residue 86
Atom CE of residue 1
Atom CG of residue 5
Atom O of residue 3
Atom O of residue 58
Atom N of residue 5
Atom CA of residue 24
GLY
PHE
Atom N of residue 5
Atom CG1 of residue 2
Atom CD1 of residue 55
Atom CE2 of residue 20
P1 RigidBodyHierarchy 9
GridCPF
P3
Frag3
Atom C of residue 25
P1 rigid body positions
GLY
GLY
Atom C of residue 92
Atom CB of residue 5
LEU
Atom CG of residue 105
Atom O of residue 67
Atom NZ of residue 1
ARG
Atom O of residue 113
GLY
Atom CA of residue 34
Atom OD1 of residue 18
P125
SER
Atom CA of residue 1
Atom CG of residue 39
ALA
P1 rigid body positions
TRP
Atom CA of residue 71
Atom O of residue 4
GLU
ARG
Atom CA of residue 1
Atom N of residue 4
UnaryFunction20
Atom N of residue 95
Atom N of residue 2
Atom O of residue 4
Atom O of residue 5
Atom OD1 of residue 103
Atom O of residue 64
Atom C of residue 13
Atom NZ of residue 1
AccumulateRigidBodyDerivatives33
Atom CB of residue 5
Atom C of residue 6
Atom O of residue 5
Atom C of residue 24
Atom O of residue 77
Atom CE of residue 1
GLN
P253
Atom CD of residue 14
Atom NE of residue 128
Atom CB of residue 98
P51
Atom OD1 of residue 106
Atom CE1 of residue 20
Atom C of residue 5
Atom OG1 of residue 69
NullModifier7
ConnectivityRestraint 4
SingletonModifier 2
Atom CA of residue 1
Atom C of residue 34
Atom N of residue 50
Atom CB of residue 2
Atom CE2 of residue 62
ConjugateGradients
Atom C of residue 3
NormalizeRotation2
Atom CA of residue 46
Atom CA of residue 9
Atom CB of residue 3
Atom C of residue 35
Atom CA of residue 2
ARG
Atom CA of residue 128
Atom OG of residue 85
Atom CE2 of residue 3
P5
UpdateRigidBodyMembers12
Atom O of residue 5
Atom CG1 of residue 124
UnaryFunction2
Atom CB of residue 30
Atom CA of residue 3
Atom CZ of residue 20
P43
Atom CG of residue 1
Atom N of residue 124
P39
Atom C of residue 103
Atom C of residue 1
UpdateRigidBodyMembers5
GLY
Atom CA of residue 117
Atom N of residue 111
Atom N of residue 51
Atom CG of residue 68
normalize rigid bodies
Atom C of residue 94
Atom O of residue 92
Atom N of residue 2
Atom C of residue 1
Atom CA of residue 1
Atom CD of residue 1
ASN
Atom N of residue 4
Atom CB of residue 113
Atom N of residue 77
Atom O of residue 2
Atom CA of residue 5
Atom CB of residue 5
Atom CA of residue 109
Atom CB of residue 86
Atom CB of residue 40
VAL
Atom CD of residue 5
Atom N of residue 1
P4
Atom CB of residue 88
Atom C of residue 71
Atom CB of residue 64
P176
Atom CA of residue 4
Atom C of residue 8
Atom C of residue 110
GLY
ALA
Atom O of residue 24
Atom C of residue 9
P40
Atom N of residue 26
Atom CG of residue 44
Atom ND2 of residue 103
Atom CD2 of residue 3
P0
Atom CD1 of residue 3
Atom N of residue 1
Atom CE2 of residue 34
P1 rigid body positions
Atom N of residue 2
Atom CE3 of residue 28
P44
Atom CZ of residue 3
P40
Atom CA of residue 17
Atom C of residue 60
Atom CG of residue 21
Atom C of residue 4
P4
Atom N of residue 2
VAL
PHE
ARG
Atom C of residue 46
Atom CG of residue 3
Atom C of residue 128
Atom N of residue 82
ARG
Atom CA of residue 62
Atom CE2 of residue 3
Atom CD of residue 5
Atom CG of residue 5
Atom CG1 of residue 2
Atom CG of residue 5
Atom C of residue 2
Atom SG of residue 30
Atom CA of residue 1
Atom CA of residue 114
Atom O of residue 34
KClosePairsPairScore 4
Atom CE3 of residue 62
P0
Atom CB of residue 77
Chain A
Atom O of residue 13
Atom O of residue 1
Atom N of residue 86
Atom NE of residue 14
Atom SD of residue 105
P1
Atom CD of residue 68
Atom CG2 of residue 92
Atom OH of residue 20
P2
Atom CB of residue 18
DiameterRestraint center
P41
Atom OD1 of residue 39
Model 3
ARG
Atom O of residue 2
Atom C of residue 121
Atom C of residue 117
THR
Atom CB of residue 24
VAL
Atom C of residue 3
Atom N of residue 56
VAL
P45
SER
Atom N of residue 2
Atom CB of residue 5
Atom O of residue 54
Atom O of residue 20
Atom O of residue 25
Atom CG2 of residue 124
P41
Atom NE of residue 5
Atom O of residue 110
NullModifier0
Atom C of residue 109
Chain A
Atom CB of residue 5
Atom O of residue 103
Atom CA of residue 99
Atom C of residue 3
AccumulateRigidBodyDerivatives2
Atom CG1 of residue 98
Atom C of residue 111
GLY
Atom O of residue 71
P0
Atom O of residue 94
P1 rigid body positions
P251
Atom CZ of residue 3
Atom CG1 of residue 2
Atom ND2 of residue 106
Atom CA of residue 95
Atom CE1 of residue 3
UpdateRigidBodyMembers19
VAL
Atom C of residue 5
simple_input.pdb
Atom O of residue 2
Atom C of residue 2
Atom CA of residue 118
P0
Atom N of residue 104
Atom N of residue 5
Atom O of residue 46
Atom CZ of residue 34
Atom CZ of residue 3
Atom CG1 of residue 88
Atom NH1 of residue 5
Atom C of residue 1
ASN
Atom CE of residue 1
Atom O of residue 4
P42
Atom CA of residue 6
PHE
Atom OG1 of residue 40
Atom CZ of residue 128
ILE
Atom N of residue 4
Atom CG of residue 1
Atom CB of residue 34
Atom CB of residue 1
ALA
Atom O of residue 1
Atom NE of residue 5
ExcludedVolumeRestraint4
P42
Atom O of residue 5
SoftSpherePairScore 3
Atom O of residue 128
Atom C of residue 62
ALA
Atom CA of residue 5
Atom CA of residue 4
Chain A
Atom C of residue 2
RestraintSet 13
SER
Atom N of residue 60
P3
Atom C of residue 1
Atom N of residue 1
Atom CB of residue 3
Atom CB of residue 2
Atom CA of residue 31
Atom CE of residue 1
Atom O of residue 8
P8 rigid body positions
Atom CD of residue 21
Atom O of residue 111
Atom CB of residue 3
Atom CB of residue 20
Atom CB of residue 25
Atom CA of residue 44
Atom C of residue 73
ConnectivityRestraint 5
Atom OD1 of residue 44
Atom CA of residue 51
Model 16
Atom CA of residue 121
Atom O of residue 3
Atom CE of residue 105
Atom CE of residue 1
Atom CG2 of residue 2
Atom CD of residue 5
Atom CG of residue 113
ALA
Atom CA of residue 1
Atom CZ2 of residue 62
LYS
Atom CA of residue 5
Atom CB of residue 13
Atom CD of residue 1
P5
Atom C of residue 99
Atom CB of residue 110
Atom CA of residue 50
PHE
Atom CZ3 of residue 28
Atom N of residue 93
Atom N of residue 21
Atom N of residue 55
ARG
Atom ND2 of residue 39
P21
Atom C of residue 17
Atom O of residue 121
P1136
Atom SG of residue 64
Atom CG of residue 1
LEU
Atom O of residue 2
Atom CB of residue 128
P124
Atom NZ of residue 1
Atom CG of residue 5
Atom NH2 of residue 5
Atom CG2 of residue 2
Atom CB of residue 1
Atom C of residue 81
Atom O of residue 5
Atom CD1 of residue 124
Atom O of residue 109
Atom CB of residue 103
Atom C of residue 114
Atom NE of residue 5
Atom O of residue 2
input.pdb rigid body positions
Atom N of residue 88
Atom CG2 of residue 69
Atom O of residue 73
GLY
Atom CZ of residue 5
Atom CB of residue 94
Atom OG of residue 86
P10
Atom CD of residue 1
Atom N of residue 5
Atom N of residue 5
Atom CA of residue 36
Atom C of residue 4
Atom CE1 of residue 3
DistancePairScore 4
Atom N of residue 5
ALA
Atom CD of residue 1
Atom N of residue 53
Atom O of residue 62
Atom CA of residue 82
Atom CA of residue 26
GLY
Atom CB of residue 46
Atom CA of residue 3
Atom C of residue 5
Atom CB of residue 111
P30
Atom CD1 of residue 3
Atom O of residue 5
PHE
LYS
Atom CA of residue 86
Atom CA of residue 60
Atom N of residue 5
P251
P22
rigid bodies list
Atom CG of residue 121
UnaryFunction5
LYS
Model 23
Atom N of residue 29
Atom O of residue 104
Atom CG2 of residue 2
Atom C of residue 1
Atom C of residue 51
UpdateRigidBodyMembers42
Atom N of residue 3
Atom NE of residue 5
normalize rigid bodies
simple_input.pdb
Atom CA of residue 106
Atom CG2 of residue 2
Atom CA of residue 124
Atom O of residue 81
Atom CA of residue 11
P176
Atom O of residue 117
Atom CZ3 of residue 62
Atom OG of residue 24
Atom CZ of residue 3
Atom NH1 of residue 128
Atom CG2 of residue 58
Atom N of residue 72
Atom CG of residue 77
ASN
Atom CB of residue 5
TYR
Atom CG2 of residue 98
Atom CB of residue 5
Atom NH2 of residue 5
Atom N of residue 3
Atom CB of residue 5
P31
Atom CG1 of residue 2
Atom N of residue 70
Chain A rigid body positions
Atom CB of residue 73
Atom C of residue 95
Atom CA of residue 55
Atom CZ of residue 5
connectivity list
Atom CA of residue 3
Atom CH2 of residue 28
Atom N of residue 3
Atom O of residue 99
Atom ND2 of residue 59
VAL
Atom CG1 of residue 2
Atom NE of residue 21
Atom N of residue 35
Atom N of residue 111
ILE
Atom CB of residue 62
LYS
Atom CG2 of residue 88
Atom C of residue 26
P355
Atom CB of residue 109
Atom N of residue 87
Atom CB of residue 3
Atom CG of residue 34
ARG
Atom NZ of residue 1
DistancePairScore 3
UpdateRigidBodyMembers25
Atom N of residue 107
Chain A rigid body positions
Atom C of residue 5
P303 rigid body positions
Atom C of residue 1
Atom CA of residue 1
Atom C of residue 82
Atom CA of residue 104
Atom N of residue 65
Atom CG of residue 5
Atom C of residue 1
Atom CD of residue 1
Atom O of residue 5
Atom C of residue 50
Atom ND2 of residue 44
P27
Atom OD1 of residue 113
Atom CG of residue 13
Atom NE1 of residue 63
LYS
Atom N of residue 4
P17
Atom N of residue 1
Atom CB of residue 81
Atom CZ of residue 5
Atom CB of residue 2
Atom CG2 of residue 40
ARG
Atom N of residue 118
Atom O of residue 95
Atom C of residue 5
Atom CB of residue 3
Atom CE of residue 1
Atom C of residue 124
ILE
Atom CD of residue 121
Atom CZ of residue 3
P16
P125
Atom C of residue 1
Atom SD of residue 12
Atom C of residue 1
ARG
Chain A RigidBodyHierarchy 2
Atom O of residue 17
Atom N of residue 106
Atom NH2 of residue 128
UpdateRigidBodyMembers30
UnaryFunction12
Atom CG of residue 5
Atom OD1 of residue 77
Atom CA of residue 93
Atom CA of residue 77
PRO
Atom CD1 of residue 98
Atom O of residue 4
Atom CE of residue 1
Atom CG of residue 5
VAL
AccumulateRigidBodyDerivatives23
Atom O of residue 51
Atom C of residue 29
UpdateRigidBodyMembers8
Atom N of residue 125
Fit restraint scratch map
Atom O of residue 114
Atom CZ of residue 21
P11
P32
Atom CD1 of residue 3
RestraintSet 1
Atom CG of residue 46
Atom C of residue 11
ALA
Atom N of residue 1
Atom CA of residue 56
Atom CG of residue 128
GLU
Atom CA of residue 111
Atom C of residue 88
ListSingletonContainer5
ARG
Atom CG of residue 111
Atom CD1 of residue 88
Atom CE1 of residue 3
SER
Atom CG1 of residue 109
Atom CE2 of residue 3
ASP
Atom CA of residue 21
Atom N of residue 5
The rigid members refiner
Atom CB of residue 5
Model 21
Atom O of residue 26
Atom O of residue 1
P12
PHE
Atom C of residue 4
Atom CB of residue 3
Chain A
Atom CG of residue 3
Atom N of residue 2
Atom CB of residue 17
P8 RigidBodyHierarchy 2
Atom NZ of residue 1
Atom CA of residue 53
AccumulateRigidBodyDerivatives14
LYS
Atom N of residue 3
Atom C of residue 77
Atom CG of residue 5
Atom C of residue 4
GLY
P3
PHE
LYS
AccumulateRigidBodyDerivatives6
Atom CZ2 of residue 28
Atom ND2 of residue 113
Atom NZ of residue 1
Atom CG of residue 103
Atom CB of residue 99
Atom CH2 of residue 62
ARG
Atom OG of residue 81
Atom N of residue 25
Atom O of residue 5
Atom N of residue 105
Atom SG of residue 94
Atom N of residue 41
Atom C of residue 86
ARG
THR
Atom CD1 of residue 58
Atom O of residue 50
P34
P7
Atom O of residue 82
Atom O of residue 124
Atom C of residue 104
Atom N of residue 40
Atom CB of residue 114
Atom CA of residue 69
Atom CE1 of residue 3
P6
Atom CA of residue 4
Atom CE of residue 12
Chain A RigidBodyHierarchy 3
PHE
ASN
Atom N of residue 129
P51
Atom ND2 of residue 77
Atom N of residue 2
Atom CE2 of residue 3
Atom CG of residue 59
P7
VAL
Atom O of residue 1
Atom CB of residue 95
ASN
Atom CA of residue 5
Atom CD1 of residue 34
Atom CA of residue 2
Atom NZ of residue 1
Atom CB of residue 5
Atom O of residue 2
Atom CG1 of residue 2
Atom CB of residue 2
Atom N of residue 45
P251 rigid body positions
ListSingletonContainer10
Atom N of residue 4
RestraintSet 2
Atom C of residue 56
Atom CE2 of residue 63
Atom O of residue 86
Atom CG of residue 73
P2
ListSingletonContainer7
Atom CB of residue 1
UpdateRigidBodyMembers39
Atom CD of residue 5
Atom CA of residue 87
Atom N of residue 99
Model 10
Atom O of residue 3
Atom O of residue 29
THR
Atom CD2 of residue 3
ARG
Atom CG of residue 62
PHE
AccumulateRigidBodyDerivatives37
Atom CB of residue 51
PHE
ARG
Atom N of residue 114
Atom CG of residue 17
rigid bodies list
Atom CA of residue 70
Atom CA of residue 1
Atom OD1 of residue 27
Atom CE2 of residue 3
UpdateRigidBodyMembers43
Atom O of residue 11
Atom CZ of residue 3
Atom O of residue 4
Atom C of residue 5
Atom NH1 of residue 5
Atom CD2 of residue 28
UnaryFunction23
Atom OE1 of residue 121
Atom OD1 of residue 103
Atom C of residue 31
Atom CA of residue 2
ARG
Atom CG2 of residue 99
Atom CA of residue 4
Atom CD1 of residue 3
Atom N of residue 63
Atom CB of residue 124
P21
Atom CG2 of residue 109
Atom N of residue 95
Atom CD of residue 5
Atom CD of residue 13
GLN
Atom CA of residue 3
Atom CG2 of residue 2
P46
Atom CA of residue 107
Atom O of residue 4
/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom O of residue 77
Atom C of residue 21
P24
simple_input.pdb
Model 8
Atom N of residue 2
P1
AccumulateRigidBodyDerivatives42
Atom C of residue 69
Atom C of residue 3
LEU
ARG
Atom N of residue 13
Atom CA of residue 3
GridCPF
LEU
Atom C of residue 2
Atom N of residue 78
P14 RigidBodyHierarchy 2
ModelScoringFunction3
TRP
normalize rigid bodies
Atom N of residue 27
Atom C of residue 1
MET
Atom CD of residue 128
Atom N of residue 59
Atom CB of residue 50
Atom CD1 of residue 111
Atom N of residue 89
ARG
Chain A
Atom CB of residue 82
Atom CD of residue 1
AccumulateRigidBodyDerivatives41
Atom NH2 of residue 5
Atom CB of residue 92
Atom C of residue 16
Atom C of residue 2
TupleRestraint 0
AccumulateRigidBodyDerivatives21
P22
Atom OD1 of residue 46
simple_input.pdb
Atom CE3 of residue 63
Atom C of residue 3
UpdateRigidBodyMembers4
Atom C of residue 53
P47
UnaryFunction9
Atom CB of residue 3
Atom N of residue 82
Chain A RigidBodyHierarchy 9
Atom CA of residue 3
Atom CB of residue 59
Atom NH1 of residue 5
P25
Atom ND2 of residue 27
Atom O of residue 2
Atom CE1 of residue 3
Atom C of residue 12
Atom CE2 of residue 3
Atom O of residue 1
Atom CA of residue 52
Atom N of residue 4
Atom CB of residue 3
simple_input.pdb
Atom CA of residue 65
Atom CA of residue 125
ARG
Atom O of residue 88
Atom CG of residue 70
P177 RigidBodyHierarchy 1
Atom O of residue 5
Atom CA of residue 29
Atom NE1 of residue 28
Atom CA of residue 3
Atom CB of residue 1
Atom N of residue 1
Atom N of residue 1
Atom CA of residue 5
Atom C of residue 106
Atom CA of residue 1
Atom CA of residue 72
Atom CA of residue 40
Atom O of residue 31
Atom O of residue 56
Atom CG of residue 114
Atom CB of residue 77
Atom CB of residue 86
Atom CD of residue 73
GLY
Atom CE of residue 13
Atom CA of residue 41
Atom NE of residue 5
Chain A rigid body positions
VAL
Atom C of residue 107
rigid bodies list
P176
ListSingletonContainer18
PHE
P177
Atom N of residue 96
P23
P74
Atom O of residue 69
P14 RigidBodyHierarchy 1
P48
Atom N of residue 2
Atom NH1 of residue 21
P26
P0
ARG
Atom CA of residue 4
Atom ND2 of residue 103
Atom C of residue 111
Atom CZ of residue 3
Atom CD2 of residue 3
Atom C of residue 27
Atom CD1 of residue 3
Atom CA of residue 3
Atom N of residue 110
ALA
Atom NE of residue 5
Atom CG1 of residue 99
THR
Atom CG of residue 5
Atom O of residue 1
Atom O of residue 21
simple_input.pdb
Atom N of residue 4
WriteOptimizerState0
Atom C of residue 65
Atom CG1 of residue 92
Atom N of residue 1
simple_input.pdb
Atom N of residue 17
LYS
Atom CD1 of residue 62
GridCPF
Atom CA of residue 25
P253 RigidBodyHierarchy 1
Atom CA of residue 5
Atom CA of residue 13
Atom ND2 of residue 46
Atom CZ2 of residue 63
Atom NE of residue 128
Atom N of residue 5
P2
Atom C of residue 40
Atom CG1 of residue 2
Atom CB of residue 1
RestraintSet 6
Atom NH2 of residue 5
Atom CE of residue 1
DiameterRestraint center
Atom C of residue 125
Atom CD2 of residue 34
Atom O of residue 3
Atom CA of residue 129
ASN
TRP
LYS
Atom C of residue 87
Atom CG of residue 77
LYS
SingletonModifier 4
PHE
VAL
Atom CA of residue 45
RestraintSet 15
Atom C of residue 72
Atom O of residue 5
Atom CG of residue 3
Atom O of residue 2
Atom CD1 of residue 17
Atom CB of residue 1
P252
Atom CA of residue 5
Atom CB of residue 1
ALA
Atom CB of residue 1
Atom CD2 of residue 3
Atom OG1 of residue 51
Atom CB of residue 56
Atom C of residue 1
Atom OE1 of residue 121
Atom CB of residue 88
Atom CA of residue 99
Atom O of residue 107
P175
VAL
Atom OG of residue 50
Atom CG1 of residue 124
Atom CG of residue 3
Atom C of residue 1
Atom C of residue 3
Atom CB of residue 12
PairScore 5
P1
Atom CG of residue 1
Atom NH2 of residue 21
Atom CA of residue 3
Atom N of residue 4
Atom CA of residue 114
P4 RigidBodyHierarchy 0
Atom CE1 of residue 34
NormalizeRotation0
Atom CB of residue 19
P4 RigidBodyHierarchy 2
AccumulateRigidBodyDerivatives19
Atom CB of residue 58
Atom C of residue 2
Atom CA of residue 95
Atom C of residue 41
Atom O of residue 87
Atom CA of residue 1
Atom O of residue 53
P5
Atom C of residue 25
ILE
Atom CB of residue 5
Atom CZ of residue 128
Atom CD of residue 70
GLY
UnaryFunction0
Atom N of residue 28
ConjugateGradients
Atom C of residue 121
LEU
Model 9
Atom CA of residue 5
Atom O of residue 27
Atom CZ of residue 3
Atom CB of residue 31
Atom N of residue 47
Atom CZ3 of residue 63
Atom CE2 of residue 3
Atom CB of residue 15
VAL
ModelScoringFunction2
Atom NE of residue 73
Atom CD of residue 5
Atom CB of residue 35
Atom N of residue 104
Chain A
Atom OG of residue 86
AccumulateRigidBodyDerivatives11
simple_input.pdb
Atom O of residue 125
UnaryFunction21
ALA
simple_input.pdb
NullModifier4
Atom CD2 of residue 111
/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom C of residue 5
P12
Atom CB of residue 21
Atom N of residue 4
Atom CA of residue 4
Atom CZ of residue 5
RestraintSet 16
Atom N of residue 1
Atom NE2 of residue 121
Atom N of residue 83
Atom CA of residue 118
Atom CB of residue 107
Atom CA of residue 89
Atom C of residue 45
Atom CG of residue 1
Atom O of residue 72
P32
ASN
FixedRefiner4
Atom O of residue 2
AccumulateRigidBodyDerivatives18
Atom CB of residue 1
Atom N of residue 1
Atom CG of residue 3
LYS
Atom CA of residue 5
Atom O of residue 106
THR
Atom CE of residue 1
Atom NE of residue 5
Atom CZ of residue 5
Atom CD2 of residue 62
Chain A
Atom C of residue 4
Atom O of residue 5
P4 rigid body positions
Atom C of residue 4
Atom CD1 of residue 3
P14 rigid body positions
ARG
LYS
Atom CG of residue 7
Atom CD of residue 114
PHE
Atom N of residue 100
Atom CB of residue 53
Atom CA of residue 63
Atom CZ of residue 3
Atom CE2 of residue 28
Chain A
Atom CG2 of residue 2
Atom CB of residue 35
Atom CD2 of residue 17
Atom CB of residue 69
Atom CG of residue 1
Atom CA of residue 4
Atom CG of residue 1
P13
LYS
Atom O of residue 1
Atom CG of residue 56
Atom CG of residue 5
Atom O of residue 111
Atom N of residue 1
LYS
Atom CA of residue 2
Atom CA of residue 78
Atom NH1 of residue 68
Atom CZ of residue 73
LYS
ListSingletonContainer0
TRP
P33
Atom CA of residue 17
GLY
Atom N of residue 74
Atom C of residue 129
Atom CD of residue 1
Atom OD1 of residue 77
Atom CH2 of residue 63
Atom CG of residue 3
Atom N of residue 22
Atom NE1 of residue 111
Atom C of residue 5
Atom O of residue 65
ARG
P1
Atom C of residue 44
VAL
UpdateRigidBodyMembers37
Atom CB of residue 5
Atom O of residue 41
Atom CB of residue 87
Atom CG of residue 12
Atom CB of residue 70
Atom C of residue 89
Atom O of residue 118
Atom CA of residue 5
Atom O of residue 40
UpdateRigidBodyMembers32
Atom C of residue 99
Atom C of residue 63
Atom CA of residue 2
P51 RigidBodyHierarchy 3
Atom O of residue 121
ListSingletonContainer16
P51 RigidBodyHierarchy 4
Atom CB of residue 106
Atom CG1 of residue 88
LEU
Atom O of residue 45
Atom CG2 of residue 124
Atom CA of residue 46
Atom N of residue 32
normalize rigid bodies
Chain A rigid body positions
THR
Atom CE2 of residue 34
Atom CG of residue 15
Atom CG of residue 1
Atom NE1 of residue 62
Atom N of residue 2
Chain A
simple_input.pdb
Atom CB of residue 27
Atom NZ of residue 1
Atom CE1 of residue 3
ExcludedVolumeRestraint3
PairScore 7
DiameterRestraint2
Atom CE2 of residue 3
normalize rigid bodies
Atom CD of residue 5
P34
Atom C of residue 114
GLY
PHE
AccumulateRigidBodyDerivatives5
Atom CA of residue 122
ASN
Atom O of residue 4
Atom C of residue 5
Atom C of residue 95
Atom CA of residue 3
P0
Atom N of residue 51
Atom CA of residue 96
P251
Atom CG2 of residue 51
Atom NE of residue 114
Atom N of residue 3
P51 rigid body positions
Atom CD2 of residue 3
UnaryFunction24
simple_input.pdb
Atom C of residue 2
Atom CG of residue 1
Atom O of residue 5
Atom CB of residue 55
Atom CA of residue 18
Atom CD of residue 5
Atom CB of residue 2
VAL
Atom O of residue 4
Atom NZ of residue 1
P1
Atom O of residue 5
Atom C of residue 78
Atom CZ of residue 5
GLY
Atom C of residue 1
Atom NH2 of residue 68
PHE
Atom CB of residue 72
Atom CB of residue 65
Atom O of residue 99
Atom O of residue 63
Atom O of residue 25
AccumulateRigidBodyDerivatives8
SER
Atom CG of residue 53
Atom CB of residue 111
Atom CZ of residue 3
Atom O of residue 2
Atom CB of residue 40
Chain A RigidBodyHierarchy 10
Atom OG1 of residue 69
Atom CG of residue 5
Atom C of residue 13
Chain A
GLY
P74 RigidBodyHierarchy 1
Atom CA of residue 3
Atom N of residue 87
Atom N of residue 3
Atom CB of residue 45
Atom N of residue 3
Atom O of residue 89
Atom CB of residue 118
AccumulateRigidBodyDerivatives40
Atom CB of residue 125
Atom C of residue 46
simple_input.pdb
Atom C of residue 10
Atom CG of residue 106
Atom CA of residue 83
VAL
Atom C of residue 96
VAL
AccumulateRigidBodyDerivatives1
Atom CA of residue 47
Atom CA of residue 4
Atom N of residue 5
PHE
Atom CA of residue 28
Atom N of residue 7
Atom NE of residue 5
ListSingletonContainer1
Atom N of residue 3
Atom N of residue 108
Atom CB of residue 121
Atom CA of residue 104
Atom N of residue 31
UpdateRigidBodyMembers13
Atom CB of residue 2
SoftSpherePairScore 7
PHE
Atom C of residue 5
Atom O of residue 95
P0
Atom CD1 of residue 56
P177
Atom CD1 of residue 3
Atom N of residue 3
THR
Atom C of residue 3
Atom CB of residue 5
RestraintSet 10
Atom CZ of residue 114
Atom CG of residue 21
Atom NE of residue 5
Atom NH1 of residue 128
Atom CG of residue 5
Atom CA of residue 74
Atom CE2 of residue 111
Atom CA of residue 82
AccumulateRigidBodyDerivatives38
Atom CG of residue 27
Atom OG of residue 72
simple_input.pdb
P304
Atom CZ of residue 5
Atom O of residue 3
Atom ND2 of residue 77
Atom N of residue 18
Atom O of residue 129
Atom CB of residue 63
P74 rigid body positions
P304
Atom CB of residue 25
Atom O of residue 1
Atom CG of residue 87
Atom N of residue 3
Atom CD1 of residue 124
Atom CB of residue 5
Atom CG of residue 65
Atom O of residue 13
Atom CG1 of residue 55
Atom CB of residue 41
Atom NE of residue 5
Atom N of residue 122
Atom CA of residue 1
Atom O of residue 46
P11
Atom N of residue 52
Atom C of residue 5
Atom CD1 of residue 3
P3
Atom C of residue 4
Atom OG1 of residue 40
Atom CE1 of residue 15
Atom CB of residue 89
Atom O of residue 3
Atom CZ of residue 34
Atom N of residue 64
ASP
Atom ND1 of residue 15
Atom CA of residue 5
Atom N of residue 68
Atom O of residue 78
Atom C of residue 17
ARG
Atom O of residue 3
Atom C of residue 82
SampledDensityMap2
P19
MET
Atom CG2 of residue 2
Atom CG2 of residue 88
Atom CB of residue 99
Atom O of residue 44
Frag1
Frag2
Atom O of residue 114
Atom O of residue 1
ASP
RestraintSet 7
Atom CA of residue 22
Atom C of residue 70
Atom NH1 of residue 5
P303
Atom CE2 of residue 3
Atom CG1 of residue 2
ListSingletonContainer15
Atom CA of residue 108
Atom N of residue 2
Atom O of residue 5
Atom CD1 of residue 3
Atom CB of residue 129
Atom O of residue 1
Atom CG of residue 5
P37
P7
Atom CD2 of residue 56
Atom CZ of residue 5
Atom CD2 of residue 3
Atom CA of residue 51
Atom OG1 of residue 118
Atom C of residue 4
Atom C of residue 28
Atom CB of residue 3
Atom CG of residue 125
P7
Atom CG of residue 41
Atom CD of residue 21
ARG
Atom NH2 of residue 128
Atom CA of residue 3
Atom C of residue 83
Atom CE3 of residue 111
Atom CB of residue 2
Atom NH1 of residue 73
Atom CG of residue 63
P74 RigidBodyHierarchy 5
Atom O of residue 96
Atom CZ of residue 5
Atom C of residue 47
Atom CG of residue 3
Atom CG2 of residue 69
PHE
Atom CA of residue 67
Atom N of residue 125
Atom C of residue 7
Atom C of residue 5
simple_input.pdb
GLY
Atom CD1 of residue 53
Atom CE2 of residue 62
PHE
P20
P8 rigid body positions
Atom C of residue 104
Atom CA of residue 5
Chain A
P1 RigidBodyHierarchy 2
ASN
Atom CA of residue 3
Atom CD of residue 5
P1
Atom CB of residue 95
Atom CG2 of residue 55
Atom CB of residue 1
Atom CA of residue 100
ALA
Atom CD of residue 45
Chain A
Atom NH2 of residue 5
Atom O of residue 60
P1
Atom CG of residue 111
P0
DistancePairScore 1
Atom N of residue 4
Atom C of residue 5
Atom NZ of residue 13
Atom C of residue 118
Atom CB of residue 114
Atom O of residue 17
Atom OD1 of residue 106
UpdateRigidBodyMembers14
ARG
SoftSpherePairScore 0
Atom CB of residue 13
P38
Atom N of residue 3
P177
Atom CA of residue 87
Atom C of residue 105
Atom C of residue 74
TRP
SingletonConstraint 1
Atom O of residue 82
Atom N of residue 4
Atom CA of residue 1
Atom NH1 of residue 114
Atom O of residue 12
Atom CE1 of residue 3
Atom CD of residue 5
Atom CB of residue 68
Atom O of residue 2
Atom C of residue 2
Atom CD2 of residue 3
Atom CB of residue 46
Chain A
Atom N of residue 4
Atom CA of residue 41
Atom NH1 of residue 5
Atom CZ of residue 3
Atom C of residue 5
Atom CD2 of residue 3
Atom C of residue 3
PHE
Atom CB of residue 3
Atom CZ of residue 3
Atom CA of residue 2
Atom N of residue 35
CYS
Atom CG of residue 18
Atom NH1 of residue 5
Atom CD1 of residue 88
Atom CE1 of residue 3
Atom CB of residue 44
Atom O of residue 5
Atom N of residue 73
LYS
Atom CB of residue 5
Atom CB of residue 78
P175
Atom CA of residue 5
ASP
Atom C of residue 51
Atom CD of residue 41
Atom NE of residue 21
UnaryFunction11
P1
Atom CZ2 of residue 111
Atom NH2 of residue 73
Atom N of residue 5
Atom OD1 of residue 65
Atom CA of residue 2
Atom CD of residue 1
Atom N of residue 1
Atom C of residue 100
NullModifier3
Chain A
Atom O of residue 70
Chain A rigid body positions
Atom CE3 of residue 62
GLY
Atom O of residue 28
P0
Atom CD2 of residue 53
Atom CG of residue 68
P2
Atom CD of residue 5
Atom CD1 of residue 55
Atom OD1 of residue 87
/scratch/nightly-build-21548/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom O of residue 70
Atom CB of residue 1
Atom CE of residue 1
Atom CB of residue 82
Atom O of residue 7
GLY
Atom CA of residue 14
Atom CG1 of residue 99
Atom CD1 of residue 63
GLY
Atom CB of residue 96
Atom C of residue 5
Atom CB of residue 17
Atom NE2 of residue 15
Atom CD of residue 35
Atom OG1 of residue 89
Atom N of residue 32
Atom N of residue 1
Atom O of residue 5
Atom CG2 of residue 2
Atom N of residue 78
Atom C of residue 87
AccumulateRigidBodyDerivatives16
Atom C of residue 22
P1
Atom CG2 of residue 40
Atom N of residue 1
Atom CA of residue 3
Atom N of residue 5
Atom CD of residue 125
P0
Atom NH2 of residue 114
RigidCPF
Atom NH2 of residue 5
Atom CG of residue 129
Atom NE of residue 45
Atom N of residue 57
Atom O of residue 5
Atom N of residue 129
P2
Atom C of residue 5
Atom CA of residue 5
GLY
Atom CA of residue 27
Atom CG2 of residue 118
RigidCPF
Atom CE1 of residue 3
P2
Atom NH2 of residue 5
Atom CB of residue 60
Atom O of residue 47
Atom C of residue 122
Atom O of residue 74
Atom N of residue 1
Atom O of residue 83
Atom N of residue 3
Atom CG of residue 5
Atom CA of residue 3
Atom C of residue 18
Atom OD1 of residue 18
Atom CB of residue 5
ARG
Atom CG2 of residue 78
Atom C of residue 2
Atom N of residue 3
RestraintSet 5
Atom CB of residue 5
Atom O of residue 5
VAL
Atom N of residue 59
Atom N of residue 96
Atom CE of residue 1
Atom CB of residue 3
Atom NE of residue 5
Atom CD1 of residue 111
Atom CD of residue 70
ALA
ARG
Atom C of residue 2
ConnectivityRestraint 2
Atom CG of residue 1
PairScore 0
Atom N of residue 38
Atom N of residue 4
Atom CB of residue 28
Atom CG of residue 13
Atom NE of residue 5
Atom CG of residue 114
Atom C of residue 1
GLU
Atom N of residue 12
Atom C of residue 4
Atom ND2 of residue 106
P15
Atom O of residue 6
ARG
Atom OD2 of residue 87
Atom O of residue 100
P1
Atom OE1 of residue 35
Atom O of residue 51
Atom CA of residue 2
Atom CG of residue 3
Atom C of residue 2
Atom OE1 of residue 41
ILE
Atom CZ of residue 21
Atom O of residue 3
Atom O of residue 3
Chain A
Chain A
Atom N of residue 74
simple_input.pdb
Atom N of residue 41
Atom N of residue 5
Atom O of residue 3
Atom CG of residue 46
Atom C of residue 5
Atom C of residue 7
Atom N of residue 1
ARG
P4 RigidBodyHierarchy 1
Atom CZ2 of residue 62
Atom CA of residue 19
Atom CB of residue 5
Atom CA of residue 4
Atom CE1 of residue 53
LYS
P252
Atom O of residue 2
Atom NE of residue 125
Atom N of residue 115
Chain A
Atom CB of residue 5
PHE
Atom O of residue 5
Atom C of residue 68
Atom CB of residue 2
Atom O of residue 52
GLN
Atom C of residue 14
Atom N of residue 37
LEU
P37
Atom CG of residue 44
Atom CD2 of residue 63
GLY
Atom O of residue 104
VAL
Atom O of residue 1
Atom OG of residue 60
NormalizeRotation6
Atom N of residue 89
UpdateRigidBodyMembers18
Atom CB of residue 83
Atom CG2 of residue 89
Atom ND2 of residue 65
P1
Atom N of residue 2
Atom O of residue 87
PHE
Atom N of residue 71
DiameterRestraint center
Atom CD2 of residue 3
Atom NZ of residue 1
Atom O of residue 3
Atom NE of residue 5
P74 rigid body positions
Atom C of residue 59
Atom O of residue 4
Atom O of residue 7
Atom CA of residue 64
Atom NH1 of residue 5
Atom C of residue 4
Atom C of residue 3
Atom NH1 of residue 5
LYS
UpdateRigidBodyMembers36
Atom CB of residue 3
PHE
Atom C of residue 5
Atom CB of residue 47
Atom CG of residue 3
Atom CB of residue 74
Atom CZ3 of residue 111
Atom N of residue 14
Atom CB of residue 2
Atom N of residue 3
Atom CB of residue 1
Atom OD2 of residue 18
Atom CA of residue 5
Atom CB of residue 5
ASN
ARG
Atom O of residue 2
Atom CB of residue 11
P38
Atom C of residue 108
Atom CG1 of residue 78
UpdateRigidBodyMembers11
Atom CB of residue 70
Atom O of residue 22
Atom C of residue 5
Atom CA of residue 125
P13
Atom N of residue 56
Atom CG1 of residue 2
VAL
Atom CG2 of residue 99
Atom N of residue 83
LYS
Atom CA of residue 2
Atom CZ3 of residue 62
Atom CB of residue 2
Atom CA of residue 32
P175
Atom O of residue 59
Atom CB of residue 3
Atom CG of residue 5
Atom CG of residue 5
Atom CB of residue 1
Atom C of residue 67
Atom CB of residue 3
Atom CG of residue 19
Atom NH2 of residue 5
Atom NH2 of residue 5
Atom CE2 of residue 3
PairScore 9
simple_input.pdb
Atom CB of residue 100
Atom CD2 of residue 111
Atom CB of residue 51
Atom CZ of residue 45
Atom CD1 of residue 3
Atom C of residue 4
ASN
Atom C of residue 3
P28
Atom CB of residue 7
Atom CB of residue 3
Atom CA of residue 2
THR
SingletonModifier 1
Atom CG of residue 96
P125
Atom CA of residue 78
Atom O of residue 122
P39
GLY
UnaryFunction4
Atom CB of residue 52
Atom CB of residue 7
UpdateRigidBodyMembers17
Atom N of residue 23
Atom CD1 of residue 129
Atom CD2 of residue 15
Atom C of residue 125
Atom CA of residue 1
Atom NE2 of residue 41
Atom CA of residue 115
Atom C of residue 64
Atom CA of residue 2
Atom C of residue 3
Atom O of residue 4
Atom CG1 of residue 2
Atom CG of residue 28
Atom CA of residue 96
Atom CA of residue 5
Atom CA of residue 38
Atom N of residue 105
Atom C of residue 32
Atom CB of residue 59
Atom O of residue 2
Atom CD of residue 5
VAL
Atom CA of residue 35
Atom O of residue 1
Atom CG of residue 83
ARG
Atom O of residue 2
Atom CD of residue 13
Atom CA of residue 57
UpdateRigidBodyMembers10
Atom CA of residue 129
Atom CB of residue 87
Atom CE2 of residue 53
Atom C of residue 3
P6
Atom CB of residue 6
Atom CA of residue 73
Atom NH1 of residue 5
Atom OD1 of residue 19
P29
P9
Atom OD1 of residue 44
SoftSpherePairScore 6
SingletonModifier 5
Atom C of residue 78
Atom N of residue 100
Atom NE1 of residue 63
Atom CA of residue 4
LEU
Atom O of residue 4
Atom CG of residue 3
Atom CD of residue 114
Atom OD1 of residue 46
Atom OG1 of residue 47
Atom CH2 of residue 111
UpdateRigidBodyMembers20
Atom CG of residue 3
Atom N of residue 61
Atom CZ of residue 5
Atom CG of residue 70
Atom N of residue 19
Atom CG of residue 3
Atom N of residue 107
Atom CB of residue 2
Atom CZ of residue 3
Atom CA of residue 4
Atom CA of residue 52
Atom CB of residue 3
Atom NH1 of residue 45
Atom O of residue 125
LYS
P11
Atom CZ of residue 3
Atom CG of residue 17
Atom C of residue 37
P1
Atom CG of residue 5
Atom CA of residue 74
P303 RigidBodyHierarchy 0
Atom CZ of residue 125
LEU
CYS
Atom CG2 of residue 2
Atom O of residue 1
Atom NH1 of residue 21
Atom C of residue 38
Atom CE1 of residue 3
Atom CD of residue 96
Atom CZ of residue 5
Atom OD1 of residue 52
Atom CG of residue 7
Atom CA of residue 5
Model 4
rigid bodies list
AccumulateRigidBodyDerivatives10
Atom CD2 of residue 3
Atom CG of residue 74
Atom CG2 of residue 2
Atom N of residue 4
Atom O of residue 108
Atom CG1 of residue 2
P16
Atom CD of residue 5
TYR
Atom CD2 of residue 129
Atom N of residue 16
P2
SingletonConstraint 5
P5
Atom O of residue 64
Atom O of residue 118
Atom CD2 of residue 3
Atom C of residue 129
Atom CB of residue 122
Atom C of residue 73
ConnectivityRestraint 0
Atom CA of residue 89
AccumulateRigidBodyDerivatives20
P253
Atom N of residue 119
PHE
SoftSpherePairScore 8
Atom N of residue 66
Atom CE of residue 13
Atom CD1 of residue 78
Atom CE2 of residue 3
DistancePairScore 2
KClosePairsPairScore 7
Atom NE of residue 5
Atom CD1 of residue 17
Atom N of residue 4
VAL
ConnectivityRestraint 6
P23
Atom ND2 of residue 19
Atom CH2 of residue 62
GLN
Atom CG of residue 3
Atom CD of residue 1
Atom O of residue 3
Atom C of residue 3
Atom CA of residue 4
Atom CA of residue 71
Atom CD of residue 7
Atom C of residue 57
Atom O of residue 2
ALA
GLY
Atom CA of residue 83
Atom NE of residue 114
Atom ND2 of residue 46
Atom CB of residue 2
Atom NE of residue 5
Atom C of residue 4
Atom NE1 of residue 111
Atom CD1 of residue 83
Atom CB of residue 125
connectivity list
Atom CB of residue 1
P3
Atom NH2 of residue 14
LYS
Atom SG of residue 6
Atom C of residue 9
rigid bodies list
Atom C of residue 96
Atom N of residue 5
Model 2
Atom C of residue 3
Atom N of residue 90
Atom NH2 of residue 45
Atom CA of residue 5
Atom OD1 of residue 37
Atom CB of residue 3
Chain A RigidBodyHierarchy 7
TupleRestraint 2
Atom CB of residue 108
ASP
Atom OD1 of residue 59
Atom CA of residue 4
Atom CB of residue 1
Atom NH2 of residue 21
Atom OXT of residue 129
SER
Atom CE of residue 96
VAL
P51 rigid body positions
Atom N of residue 3
Atom CG of residue 5
Atom CB of residue 64
simple_input.pdb
Model 22
Atom CZ of residue 53
Chain A
P24
Atom CG of residue 3
ARG
P16
Atom NE2 of residue 121
Atom CE of residue 1
Atom CG2 of residue 2
Atom CZ of residue 3
Atom CA of residue 36
Chain1
ExcludedVolumeRestraint1
Atom CD1 of residue 28
Atom OG of residue 100
Atom CE2 of residue 3
ARG
Atom CE3 of residue 63
Atom CD of residue 1
PairScore 1
simple_input.pdb
LYS
Atom CB of residue 118
Atom O of residue 73
Atom NE of residue 5
Atom CE2 of residue 3
P4
Atom CD2 of residue 17
Atom O of residue 129
Atom CB of residue 2
Atom C of residue 89
Atom O of residue 38
Atom ND2 of residue 44
Atom N of residue 112
ASP
Chain A rigid body positions
Atom N of residue 79
Atom OD2 of residue 52
Atom O of residue 4
PHE
PRO
UnaryFunction15
Atom CE1 of residue 3
Atom OD1 of residue 74
Atom CA of residue 1
Atom O of residue 4
Atom O of residue 32
Atom CZ of residue 5
ARG
Atom N of residue 63
GLY
Atom CD1 of residue 3
Atom O of residue 8
ALA
Atom CD of residue 5
Atom CE1 of residue 3
P4
RigidCPF
Atom N of residue 15
Atom CA of residue 23
DistancePairScore 7
Atom NH1 of residue 5
AccumulateRigidBodyDerivatives39
Atom CZ of residue 114
Atom N of residue 47
PHE
Atom C of residue 2
Atom NZ of residue 1
P14 rigid body positions
Atom C of residue 74
Atom CD2 of residue 3
Atom C of residue 41
Atom NZ of residue 13
Chain A
DiameterRestraint3
Atom O of residue 78
UnaryFunction1
Atom CG of residue 108
GLY
Atom CG of residue 3
Atom CA of residue 60
Atom O of residue 57
GLY
Atom CG of residue 3
Atom O of residue 3
Atom CG of residue 87
P2
Atom CB of residue 68
Atom CG2 of residue 2
P5
Atom O of residue 3
P253 RigidBodyHierarchy 0
Atom C of residue 83
Atom CG of residue 1
Atom NH1 of residue 125
Atom CD1 of residue 3
Atom N of residue 22
Chain A rigid body positions
P0
Atom CA of residue 100
Atom O of residue 96
Atom CZ of residue 5
Atom SG of residue 64
Atom OH of residue 53
restrainer module unit tests succeeded
modules/multifit/src/fft_based_rigid_fitting.cpp: In member function 'void IMP::multifit::FFTFitting::fftw_translational_search(const IMP::multifit::internal::EulerAngles&, int)':
modules/multifit/src/fft_based_rigid_fitting.cpp:417: warning: comparison between signed and unsigned integer expressions
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In function 'IMP::multifit::ComponentHeader* IMP::multifit::::parse_component_line(const std::string&, const std::string&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In function 'IMP::multifit::AssemblyHeader* IMP::multifit::::parse_assembly_line(const std::string&, const std::string&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In function 'IMP::multifit::SettingsData* IMP::multifit::read_settings(const char*, const char*)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
modules/multifit/src/symmetry_utils.cpp:338: warning: unused parameter 'dn_symm_deg'
modules/multifit/src/symmetry_utils.cpp:338: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:433: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:517: warning: unused parameter 'dn'
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In function 'IMP::multifit::FittingSolutionRecords IMP::multifit::patch_build_symmetric_assemblies(const std::string&, const std::string&, const std::string&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
modules/multifit/src/CnSymmAxisDetector.cpp:163: warning: unused parameter 'symm_vec'
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/multifit/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/examples/patchdock_multifit.py >/scratch/nightly-build-21548/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 0.764s

OK
multifit examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/multifit/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.multifit --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_add_surface_index.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_anchor_graph.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_connected_components.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_geometric_hash.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_mol_coarsening.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_radius_of_gyration_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_read_anchors_data.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_read_fitting_solutions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_read_settings.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_settings_data.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_surface_sample_protein.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint_3.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/multifit_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_multifit_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/fast-test.results.out) > /dev/null
Check that the surface indexes are added correctly ... ok
test_anchor_graph_formation (_test_2.AnchorGraphTest) ... ok
test_probability_calculation (_test_2.AnchorGraphTest) ... ok
test connected components ... in 1.484s ... ok
test_neighbors (_test_4.GeometricHashTest) ... in 3.192s ... ok
test_coarsening (_test_5.MolCoarseningTests) ... in 29.339s ... ok
test_density_coarsening (_test_5.MolCoarseningTests) ... in 30.823s ... 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 27.100s ... ok
Check that weighted excluded volume restraint 3 works ... FAIL
in 7.950s ... Running C++ test multifittest_geometric_complementarity ... in 20.439s ... ok
Running C++ test multifittest_get_candidate_transformations_match_1st_surface_to_2nd ... in 55.754s ... ok
Test that module class names follow the standards ... FAIL
Test that module function names follow the standards ... FAIL
Test all objects have show ... FAIL
Test that module classes are either values or objects ... FAIL

======================================================================
ERROR: Check correct reading of proteomics file
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py", line 18, in test_run
    self.prot_data = IMP.multifit.read_proteomics_data(self.data_file)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 2288, in read_proteomics_data
    return _IMP_multifit.read_proteomics_data(*args)
RuntimeError: bad lexical cast: source type value could not be interpreted as target

======================================================================
ERROR: test fft based fitting
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py", line 57, in test_fft_based_rigid_fitting
    IMP.algebra.get_uniform_cover_rotations_3d(10),1,False,False)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 1064, in fft_based_rigid_fitting
    return _IMP_multifit.fft_based_rigid_fitting(*args)
TypeError: fft_based_rigid_fitting() takes exactly 3 arguments (8 given)

======================================================================
ERROR: test fft based fitting
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py", line 96, in test_fft_based_rigid_fitting_translation_with_gmm
    [IMP.algebra.get_identity_rotation_3d()],10,False,True)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 1064, in fft_based_rigid_fitting
    return _IMP_multifit.fft_based_rigid_fitting(*args)
TypeError: fft_based_rigid_fitting() takes exactly 3 arguments (8 given)

======================================================================
ERROR: Testing proper clustering
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py", line 29, in test_clustering
    IMP.multifit.fitting_clustering(mh,ts,out_ts,3,100,30)
AttributeError: 'module' object has no attribute 'fitting_clustering'

======================================================================
FAIL: Check that weighted excluded volume restraint 3 works
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/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: 10.3647782484797 != 0

======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_multifit_standards.py", line 17, in test_classes
    spelling_exceptions)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 359, in assertClassNames
    % (str(bad)))
AssertionError: 3 != 0 : All IMP classes should be properly spelled. The following are not: ['MolCnSymmAxisDetector', 'MolCnSymmAxisDetector', 'ProteomicsData']. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_multifit_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 453, in assertFunctionNames
    message)
AssertionError: 109 != 0 : All IMP methods should have lower case names separated by underscores and beginning with a verb, preferably one of ['add', 'remove', 'get', 'set', 'create', 'destroy']. Each of the words should be a properly spelled english word. The following do not (given our limited list of verbs that we check for):
ComponentHeader.get_cmm_ap_fn
ComponentHeader.set_cmm_ap_fn
DensitySegmentationByCommunities.build_density_graph
DensitySegmentationByCommunities.calculate_communities
DensitySegmentationByCommunities.calculate_connected_components
DoubleVector.append
DoubleVector.assign
DoubleVector.back
DoubleVector.begin
DoubleVector.capacity
DoubleVector.empty
DoubleVector.end
DoubleVector.erase
DoubleVector.front
DoubleVector.insert
DoubleVector.iterator
DoubleVector.rbegin
DoubleVector.rend
DoubleVector.resize
DoubleVector.size
FFTFitting.fit
FFTFitting.fit_local_fitting
FittingSolutionRecord.get_rmsd_to_reference
FittingSolutionRecord.set_rmsd_to_reference
FittingSolutionRecords.append
FittingSolutionRecords.assign
FittingSolutionRecords.back
FittingSolutionRecords.begin
FittingSolutionRecords.capacity
FittingSolutionRecords.empty
FittingSolutionRecords.end
FittingSolutionRecords.erase
FittingSolutionRecords.front
FittingSolutionRecords.insert
FittingSolutionRecords.iterator
FittingSolutionRecords.rbegin
FittingSolutionRecords.rend
FittingSolutionRecords.resize
FittingSolutionRecords.size
GeometricHash2.Map
GeometricHash2.begin
GeometricHash2.bucket
GeometricHash2.end
GeometricHash2.neighbors
GeometricHash2.neighbors_data
GeometricHash2.resolution
GeometricHash3.Map
GeometricHash3.begin
GeometricHash3.bucket
GeometricHash3.end
GeometricHash3.neighbors
GeometricHash3.neighbors_data
GeometricHash3.resolution
GeometricHash4.Map
GeometricHash4.begin
GeometricHash4.bucket
GeometricHash4.end
GeometricHash4.neighbors
GeometricHash4.neighbors_data
GeometricHash4.resolution
GeometricHash5.Map
GeometricHash5.begin
GeometricHash5.bucket
GeometricHash5.end
GeometricHash5.neighbors
GeometricHash5.neighbors_data
GeometricHash5.resolution
IntVector.append
IntVector.assign
IntVector.back
IntVector.begin
IntVector.capacity
IntVector.empty
IntVector.end
IntVector.erase
IntVector.front
IntVector.insert
IntVector.iterator
IntVector.rbegin
IntVector.rend
IntVector.resize
IntVector.size
MolCnSymmAxisDetector.calc_symm_score
MolCnSymmAxisDetector.get_pca
MolCnSymmAxisDetector.init_from_protein
ProbabilisticAnchorGraph.are_probabilities_for_particle_set
ProteomicsData.add_ev_pair
ProteomicsData.add_xlink_interaction
ProteomicsData.get_ev_pair
ProteomicsData.get_interaction_linker_lenght
ProteomicsData.get_num_allowed_violated_ev
ProteomicsData.get_num_allowed_violated_xlinks
ProteomicsData.get_number_of_ev_pairs
ProteomicsData.get_number_of_xlinks
ProteomicsData.get_xlink
ProteomicsData.get_xlink_length
ProteomicsData.get_xlink_part_of_filter
ProteomicsData.set_num_allowed_violated_ev
ProteomicsData.set_num_allowed_violated_xlinks
SettingsData.get_asmb_fn
SettingsData.set_asmb_fn
SymmetricFit.set_patchdock_executable
SymmetricFit.set_patchdock_log_file
SymmetricFit.set_patchdock_log_level
SymmetricFit.set_prot_lib_file
SymmetricFit.set_protein_pdb_file
TransformationClustering.cluster_by_rmsd
TransformationClustering.cluster_by_rotation
TransformationClustering.cluster_by_transformation
If there is a good reason for them not to (eg it does start with a verb, just one with a meaning that is not covered by the normal list), add them to the function_name_exceptions variable in the IMPModuleTest call. Otherwise, please fix. The current verb list is ['add', 'remove', 'get', 'set', 'evaluate', 'show', 'create', 'destroy', 'push', 'pop', 'write', 'read', 'do', 'show', 'load', 'save', 'reset', 'clear', 'handle', 'update', 'apply', 'optimize', 'reserve', 'dump', 'propose', 'setup', 'teardown', 'visit', 'find', 'run', 'swap', 'link']
Misspelled words: cmm, ev, rmsd, lenght, prot, xlink, xlinks, asmb, pdb, pca, patchdock. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test all objects have show
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_multifit_standards.py", line 26, in test_show
    return self.assertShow(IMP.multifit, exceptions)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 478, in assertShow
    message)
AssertionError: 15 != 0 : All IMP classes should support show and __str__. The following do not:
DensitySegmentationByCommunities
DoubleVector
FFTFitting
FFTFittingOutput
FFTScore
FittingSolutionRecords
GeometricHash2
GeometricHash3
GeometricHash4
GeometricHash5
IntVector
ProteinRecordData
RotScore
SymmetricFit
TransformationClustering
 If there is a good reason for them not to, add them to the show_exceptions variable in the IMPModuleTest call. Otherwise, please fix.

======================================================================
FAIL: Test that module classes are either values or objects
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_multifit_standards.py", line 12, in test_value_objects
    return self.assertValueObjects(IMP.multifit,exceptions)
  File "/scratch/nightly-build-21548/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 180.779s

FAILED (failures=5, errors=4)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
THR
Atom N of residue 56
Atom C of residue 32
HIS
Atom CG of residue 45
SER
Atom C of residue 56
Atom N of residue 74
MET
Atom N of residue 48
Atom CG of residue 98
Atom C of residue 34
Atom CA of residue 56
Atom CG of residue 81
Atom CG of residue 101
VAL
Atom O of residue 145
Atom CA of residue 41
Atom CA of residue 88
Atom CG of residue 157
Atom CA of residue 520
Atom C of residue 5
Atom CB of residue 148
GLN
Atom C of residue 145
Atom CA of residue 72
LEU
Atom CD of residue 78
VAL
Atom CG of residue 86
Atom CA of residue 551
Atom CA of residue 36
Atom C of residue 96
Atom C of residue 3
Atom CA of residue 21
Atom CA of residue 565
Atom CA of residue 435
Atom CA of residue 96
Atom CA of residue 93
LEU
Atom C of residue 139
ILE
Atom CA of residue 465
Atom CA of residue 39
Atom CD2 of residue 81
Atom CA of residue 17
Atom CA of residue 70
PHE
Atom CA of residue 86
THR
Atom CA of residue 546
Atom CG of residue 8
TYR
GLU
Atom CB of residue 42
Atom CA of residue 48
Atom CD1 of residue 21
ALA
THR
Atom O of residue 144
ALA
Atom CD of residue 61
Atom CA of residue 58
PHE
Atom CB of residue 95
Atom CA of residue 66
Atom CA of residue 56
ASP
Atom CA of residue 547
LEU
Atom CA of residue 112
Atom CA of residue 114
LYS
VAL
Atom CD2 of residue 91
Atom N of residue 46
Atom N of residue 92
MET
Atom C of residue 83
Atom CG2 of residue 95
Atom N of residue 55
ASP
Atom CA of residue 151
Atom CD1 of residue 58
Atom CA of residue 94
Atom CD2 of residue 119
Atom CA of residue 106
LYS
GLU
Atom O of residue 34
Atom O of residue 90
Atom CA of residue 123
Atom CA of residue 115
Atom CA of residue 37
Atom CE2 of residue 53
MET
VAL
Atom CE of residue 14
Atom CA of residue 139
Atom CA of residue 127
Atom CD1 of residue 65
VAL
Atom CA of residue 52
Atom CD of residue 122
GLU
VAL
SER
ASN
PHE
Atom NH1 of residue 147
Atom O of residue 125
Atom CA of residue 22
Atom CA of residue 2640
Atom CA of residue 25
LYS
GLY
LEU
Atom C of residue 88
Atom O of residue 56
ASP
Atom C of residue 22
Atom NZ of residue 74
Atom CD1 of residue 155
Atom CA of residue 498
Atom CD of residue 98
VAL
Atom CD1 of residue 51
Atom N of residue 28
Atom O of residue 123
Atom CA of residue 77
Atom O of residue 96
Atom CD1 of residue 81
Atom CG1 of residue 148
ASN
VAL
Atom CB of residue 144
TYR
Atom CA of residue 69
Atom N of residue 82
Atom OE1 of residue 78
Chain A
Atom CA of residue 75
LYS
LYS
Atom CZ of residue 61
Atom CA of residue 22
Atom CD2 of residue 38
Atom CA of residue 37
Atom CD2 of residue 64
Atom CD of residue 45
SER
Atom O of residue 139
ILE
GLN
Atom C of residue 78
ILE
LEU
Atom CA of residue 98
Atom N of residue 100
LYS
Atom C of residue 102
Atom CA of residue 33
PRO
PRO
Atom CB of residue 34
Atom CA of residue 83
CYS
Atom O of residue 98
ASP
GLN
GLY
Atom CB of residue 133
PRO
PHE
PRO
Atom CA of residue 471
Atom CE3 of residue 53
Atom CA of residue 576
Atom O of residue 83
Atom CG2 of residue 42
Atom CA of residue 521
Atom CG of residue 74
GLY
Atom CD1 of residue 107
Atom CA of residue 74
Atom CG of residue 82
Atom CA of residue 57
Atom NE of residue 61
Atom CA of residue 34
Atom CA of residue 74
THR
Atom CE1 of residue 91
Atom NE2 of residue 92
Atom N of residue 96
Atom C of residue 42
PRO
GLY
Atom O of residue 22
Atom CA of residue 495
Atom CA of residue 94
GLU
MET
PRO
Atom CD2 of residue 44
Atom CA of residue 2666
GLY
Atom CB of residue 125
PRO
Atom CA of residue 131
PRO
Atom NZ of residue 14
Atom OG1 of residue 108
Atom CA of residue 92
ARG
PHE
Atom CA of residue 19
Atom CA of residue 82
Atom O of residue 88
Atom CA of residue 48
Atom CA of residue 2672
Atom NE2 of residue 130
PHE
Atom OE2 of residue 122
Atom CB of residue 51
Atom CA of residue 552
Atom C of residue 63
Atom CA of residue 148
ASP
Atom CA of residue 77
ASP
Atom CA of residue 98
Atom CA of residue 566
ILE
Atom O of residue 76
Atom CA of residue 101
Atom CD of residue 84
Atom N of residue 77
Atom NE of residue 147
Atom OE1 of residue 98
Atom CA of residue 57
GLU
Atom C of residue 127
Atom CE1 of residue 66
Atom CA of residue 436
Atom CZ2 of residue 53
Atom CA of residue 115
VAL
Atom CA of residue 547
Atom CG of residue 144
ASP
Atom C of residue 91
NullModifier1
Atom CD of residue 78
Atom CD2 of residue 65
Atom CA of residue 40
Atom CB of residue 48
ASP
Atom CD1 of residue 62
Atom CA of residue 96
Atom CB of residue 139
Atom O of residue 78
ALA
ALA
Atom CA of residue 10
ILE
GLY
Atom CG1 of residue 90
HIS
Atom CB of residue 98
Atom O of residue 94
Atom CA of residue 548
CYS
PRO
Atom C of residue 129
Atom CA of residue 113
Atom N of residue 134
Atom CA of residue 81
Atom CE of residue 45
ILE
Atom CG2 of residue 148
Atom O of residue 102
Atom O of residue 55
Atom CB of residue 83
Atom N of residue 43
Atom CA of residue 87
ASP
Atom O of residue 32
Atom N of residue 75
Atom N of residue 123
ARG
Atom CA of residue 46
GLU
Atom CE1 of residue 64
Atom CB of residue 90
Atom CA of residue 444
LEU
Atom CA of residue 55
LYS
TYR
Atom CA of residue 87
Atom CA of residue 52
Atom CA of residue 141
GLU
Atom CA of residue 131
Atom CA of residue 124
Atom CB of residue 22
PRO
Atom CB of residue 61
GLY
Atom CD of residue 67
SER
Atom CA of residue 19
Atom CA of residue 53
THR
Atom NE2 of residue 126
GLY
Atom CB of residue 120
Atom CA of residue 99
Atom CA of residue 14
Atom CA of residue 23
Atom CZ of residue 61
Atom OD1 of residue 74
Atom CG2 of residue 108
ASP
Atom CA of residue 78
Atom SD of residue 82
PRO
Atom CA of residue 437
GLN
Atom N of residue 93
Atom CA of residue 499
Atom CB of residue 88
Atom CD2 of residue 58
VAL
Atom CE of residue 78
LYS
Atom CB of residue 93
Atom CA of residue 64
Atom CG of residue 48
Atom CA of residue 28
Atom O of residue 117
LEU
Atom CA of residue 5
PHE
Atom CA of residue 4
Atom CA of residue 26
Atom O of residue 63
Atom CD of residue 117
Atom CG1 of residue 34
ILE
Atom N of residue 85
Atom NZ of residue 45
Atom CA of residue 4
Atom CA of residue 522
GLN
Atom CA of residue 568
Atom CG of residue 132
ASP
Atom CD2 of residue 62
GLU
SER
Atom CZ3 of residue 53
Atom C of residue 81
Atom CA of residue 95
Atom CA of residue 14
Atom CA of residue 99
VAL
THR
Atom CA of residue 42
Atom CA of residue 2669
GLN
Atom CE2 of residue 66
Atom CA of residue 84
Atom C of residue 48
rigid bodies list
GLU
Atom N of residue 147
Atom CD of residue 98
Atom CA of residue 45
CYS
Atom C of residue 46
LEU
Atom CA of residue 93
SER
Atom CA of residue 67
Atom CB of residue 94
GLU
Atom C of residue 84
Atom O of residue 129
Atom N of residue 123
TYR
Atom CB of residue 32
Atom CA of residue 96
Atom CZ of residue 64
Atom OD1 of residue 86
GLU
Atom CG of residue 79
HIS
Atom CA of residue 2641
Atom CA of residue 496
Atom CA of residue 129
Atom CA of residue 149
Atom CA of residue 513
GLU
ARG
Atom CD1 of residue 82
Atom CA of residue 75
ILE
Atom O of residue 116
AccumulateRigidBodyDerivatives4
Atom CB of residue 18
Atom CA of residue 70
Atom C of residue 28
GLN
Atom CA of residue 2673
Atom C of residue 117
Atom CG of residue 22
Atom CA of residue 99
Atom CA of residue 35
Atom CA of residue 553
Atom C of residue 64
Atom CE of residue 82
Atom CA of residue 78
Atom CG of residue 120
Atom OE1 of residue 67
Atom N of residue 131
LYS
Atom CA of residue 67
ARG
Atom NE2 of residue 11
ASN
Atom CA of residue 57
Atom CA of residue 89
P2115
SER
Atom O of residue 43
PRO
Atom N of residue 77
Atom N of residue 109
Atom CA of residue 463
Atom CA of residue 569
ARG
Atom CA of residue 64
Atom CA of residue 20
Atom CA of residue 58
Atom CA of residue 99
Atom C of residue 55
Atom CA of residue 439
Atom CA of residue 548
Atom CG1 of residue 88
Atom CE2 of residue 64
Atom CA of residue 5
UpdateRigidBodyMembers4
Atom CA of residue 24
Atom NZ of residue 78
LEU
SER
Atom CZ of residue 66
ILE
Atom CA of residue 2654
GLY
ILE
Atom CD1 of residue 44
Atom C of residue 93
ASN
Atom CA of residue 96
Atom C of residue 67
ALA
Atom CA of residue 46
GLU
Atom CA of residue 549
Atom N of residue 63
Atom NZ of residue 59
Atom CH2 of residue 53
Atom O of residue 81
Atom OE1 of residue 54
Atom C of residue 128
Atom CA of residue 66
Atom C of residue 87
LEU
Atom CA of residue 72
Atom ND2 of residue 74
LYS
Atom O of residue 84
Atom CD of residue 48
Atom CB of residue 129
Atom CB of residue 67
MET
Atom CG of residue 32
Atom CA of residue 140
Atom CB of residue 43
Atom CA of residue 55
Atom CG2 of residue 34
ALA
Atom CA of residue 43
Atom CG of residue 94
PRO
GLN
Atom CA of residue 514
Atom N of residue 59
Atom C of residue 126
SER
Atom CA of residue 114
ALA
LYS
Atom O of residue 64
SER
Atom N of residue 23
Atom N of residue 83
Atom CD of residue 132
GLY
Atom O of residue 39
Atom N of residue 65
Atom CA of residue 13
ALA
Atom CA of residue 468
LEU
Atom C of residue 20
Atom CA of residue 125
ASP
THR
Atom CD2 of residue 82
Atom CA of residue 445
P2113
Atom CA of residue 23
Atom CA of residue 96
Atom CA of residue 54
Atom O of residue 48
Atom C of residue 64
ASP
Atom CA of residue 116
Atom CA of residue 51
GLN
Atom O of residue 28
Atom CA of residue 93
LEU
Atom CA of residue 25
LEU
ALA
Atom N of residue 67
GLU
Atom CD of residue 79
Atom O of residue 120
Atom OE2 of residue 67
Atom C of residue 114
GLU
VAL
Atom CA of residue 500
Atom C of residue 96
Atom N of residue 75
Atom OD2 of residue 86
Atom CA of residue 440
Atom CG of residue 94
THR
ILE
Atom O of residue 67
Atom CA of residue 85
Atom CB of residue 116
Atom CA of residue 27
Atom O of residue 35
ARG
ASP
Atom CG of residue 77
Atom CE of residue 40
PRO
Atom CA of residue 79
Atom CA of residue 100
Atom CA of residue 68
Atom CA of residue 97
Atom CG of residue 117
ASN
Atom CA of residue 132
Atom CG of residue 130
Atom N of residue 12
Atom CA of residue 77
Atom CG of residue 128
GLY
Atom O of residue 93
GLN
LEU
VAL
Atom CD of residue 157
Atom CG of residue 67
Atom CA of residue 510
ILE
GLY
Atom CA of residue 45
Atom CD of residue 21
1z5s_A.pdb
Atom C of residue 43
Atom CA of residue 139
Atom CA of residue 114
Atom CA of residue 109
Atom CG2 of residue 88
Atom CB of residue 48
Atom N of residue 46
Atom CA of residue 15
Atom CA of residue 90
Atom O of residue 20
ILE
LEU
PHE
1z5s_C.pdb rigid body positions
Atom CA of residue 100
Atom O of residue 87
Atom CA of residue 100
Atom O of residue 55
Atom CA of residue 515
PHE
ALA
Atom CA of residue 2670
AccumulateRigidBodyDerivatives2
Atom N of residue 51
Atom CA of residue 524
LYS
Atom CA of residue 33
Atom CA of residue 570
Atom CB of residue 39
Atom O of residue 5
ALA
Model 0
NullModifier4
MET
Atom C of residue 93
Atom CA of residue 554
GLU
Atom CA of residue 155
Atom CA of residue 83
Atom OE1 of residue 132
Atom CA of residue 80
ILE
LEU
Atom CD1 of residue 58
Atom CA of residue 36
ALA
LYS
MET
LYS
Atom O of residue 64
Atom CD1 of residue 34
ILE
Atom CG of residue 82
TYR
Atom N of residue 76
Atom CA of residue 117
CYS
GLN
GLU
Atom C of residue 100
Atom CA of residue 36
ILE
Atom N of residue 29
Atom CA of residue 2674
ALA
Atom CA of residue 6
Atom N of residue 87
Atom CA of residue 94
Atom CA of residue 152
Atom CG of residue 154
Atom CA of residue 120
Atom N of residue 55
Atom C of residue 43
GLY
ASN
Atom CG1 of residue 116
Atom O of residue 114
Atom CA of residue 90
GLU
TYR
CYS
Atom O of residue 96
Atom CD of residue 12
Atom CA of residue 75
Atom CA of residue 58
Atom CA of residue 52
Atom N of residue 22
Atom CB of residue 55
Atom CA of residue 550
Atom C of residue 139
Atom N of residue 41
Atom O of residue 109
Atom O of residue 126
Atom CG of residue 48
LYS
Atom CA of residue 91
Atom CA of residue 59
Atom CA of residue 86
GLY
Atom CA of residue 97
ALA
Atom CE3 of residue 41
Atom CA of residue 18
Atom CA of residue 104
Atom CE of residue 110
Atom CA of residue 2655
Atom C of residue 130
Atom CA of residue 2639
Atom CA of residue 100
Atom CB of residue 35
GridCPF
Atom C of residue 23
LYS
GLU
GLY
Atom CE2 of residue 68
Atom CA of residue 82
LYS
Atom CA of residue 56
Atom CA of residue 582
Atom O of residue 43
Atom CD1 of residue 94
Atom O of residue 93
Atom CD1 of residue 88
Atom CA of residue 37
Atom N of residue 35
Atom CA of residue 115
Atom CG of residue 13
SER
Atom O of residue 46
ALA
Atom CD1 of residue 77
THR
Atom CA of residue 78
Atom CA of residue 101
Atom CA of residue 43
Atom CD of residue 130
normalize rigid bodies
GLN
Atom OD1 of residue 67
Atom CA of residue 470
Atom CA of residue 2667
Atom CA of residue 73
LYS
Atom CD1 of residue 113
Atom CA of residue 446
Atom ND1 of residue 20
GLU
Atom CA of residue 97
Atom CA of residue 126
HIS
Atom CA of residue 117
Atom C of residue 79
GLU
Atom CD of residue 54
ASP
Atom CA of residue 153
GLN
ConnectivityRestraint 0
Atom CA of residue 21
Atom CA of residue 59
Atom CB of residue 109
Atom CA of residue 501
Atom CA of residue 76
Atom CA of residue 29
PHE
Atom CD of residue 8
Atom CA of residue 67
Atom OD1 of residue 40
Atom CG of residue 67
GLU
LEU
Atom C of residue 104
TYR
Atom CA of residue 80
Atom O of residue 100
Atom C of residue 39
Atom CB of residue 114
LEU
Atom CA of residue 1
THR
Atom CG of residue 35
Atom CB of residue 5
Atom CA of residue 69
LEU
ListSingletonContainer1
Atom CZ2 of residue 41
Atom CB of residue 9
Atom C of residue 120
PRO
SER
ASP
GLN
Atom CA of residue 2641
ASP
ILE
TYR
Atom N of residue 97
VAL
Atom CA of residue 129
Atom OE1 of residue 42
GLN
P2123
Atom CA of residue 86
Atom CB of residue 83
Atom CG of residue 55
TYR
Atom O of residue 139
PRO
Atom C of residue 148
THR
Atom N of residue 126
Atom CA of residue 7
Atom CD of residue 154
GLY
Atom CA of residue 51
Atom CZ of residue 68
Atom O of residue 31
GLY
Atom CA of residue 6
Atom C of residue 101
Atom CA of residue 88
VAL
Atom CB of residue 126
Atom NZ of residue 110
Atom O of residue 130
GLU
PRO
GLN
Atom CA of residue 101
Atom CA of residue 518
Atom O of residue 23
Atom O of residue 18
GLY
Atom CA of residue 525
Atom CG of residue 6
Atom CA of residue 4
Atom CA of residue 55
TRP
Atom CA of residue 95
Atom CA of residue 115
Atom C of residue 21
Atom CD of residue 30
Atom OE1 of residue 130
Atom N of residue 89
Atom CA of residue 555
PRO
LEU
Atom CA of residue 101
Atom C of residue 59
Atom CG of residue 139
Atom CA of residue 67
Atom CD2 of residue 113
Atom CA of residue 531
Atom CB of residue 105
Atom CD2 of residue 20
Atom CD2 of residue 94
Atom CA of residue 25
Atom C of residue 46
LEU
Atom CB of residue 46
ALA
Atom CA of residue 2675
Atom CG1 of residue 86
CYS
Atom CG of residue 143
Chain C
Atom CA of residue 29
Atom CD of residue 48
Atom CA of residue 57
Atom CA of residue 8
Atom CA of residue 2632
Atom CA of residue 61
HIS
Atom CA of residue 7
Atom C of residue 4
Atom CA of residue 37
ILE
LEU
LYS
Atom CG of residue 118
Atom C of residue 129
Atom CA of residue 59
TYR
VAL
Atom CD of residue 17
VAL
Atom N of residue 95
Atom OD1 of residue 67
Atom CA of residue 514
GLU
Atom O of residue 79
Atom NE of residue 63
Atom CA of residue 551
Atom CA of residue 41
Atom CB of residue 154
Atom CB of residue 93
Atom C of residue 92
P2116
PHE
Atom CA of residue 78
Atom CA of residue 22
Atom N of residue 19
Atom OH of residue 68
Atom CA of residue 60
Atom CZ3 of residue 41
Atom OE2 of residue 42
Atom CA of residue 28
Atom O of residue 101
ASP
LEU
Atom CD of residue 126
Atom CA of residue 24
ARG
Atom O of residue 120
Atom CA of residue 2656
Atom CA of residue 583
Atom CA of residue 22
Atom CG2 of residue 4
LYS
Atom C of residue 50
GLY
connectivity list
SER
Atom CB of residue 31
Atom CG of residue 83
GLN
Atom CA of residue 118
Atom ND1 of residue 35
Atom CA of residue 533
Atom CA of residue 567
Atom C of residue 67
GLU
Atom CA of residue 87
Atom CA of residue 83
Atom CG1 of residue 90
LEU
Atom CA of residue 101
python stream
Atom CA of residue 5
Atom CB of residue 130
Atom CA of residue 79
THR
Atom CA of residue 65
1z5s_C.pdb
Atom CB of residue 139
ILE
PRO
Atom N of residue 97
GLN
Atom C of residue 25
Atom CA of residue 128
Atom CG of residue 105
ARG
Atom CA of residue 66
Atom CA of residue 46
Atom CE of residue 30
TYR
CYS
Atom O of residue 46
Atom CA of residue 116
Atom CA of residue 139
Chain A
Atom CD of residue 55
Atom N of residue 111
ILE
VAL
Atom C of residue 75
Atom CA of residue 2668
Atom CD of residue 139
Atom C of residue 83
VAL
LEU
Atom CG of residue 46
Atom C of residue 136
GLU
Atom N of residue 114
Atom O of residue 59
Atom CA of residue 447
Atom CE1 of residue 20
PHE
SER
ARG
Atom O of residue 17
TYR
Atom CA of residue 16
Atom CA of residue 515
LYS
Atom CD of residue 143
Atom CE of residue 48
THR
PHE
Atom OE1 of residue 69
LEU
Atom O of residue 75
Atom CG of residue 63
Atom C of residue 29
Atom CA of residue 56
Atom CA of residue 502
Atom CA of residue 97
Atom CD of residue 118
Atom O of residue 92
PRO
Atom NE of residue 17
ALA
Atom CA of residue 87
Atom CA of residue 62
Atom CA of residue 35
SER
Atom OD2 of residue 67
Atom CA of residue 127
Atom CB of residue 101
Atom CB of residue 79
Atom CZ of residue 63
LEU
ASN
Atom CG of residue 93
Atom CA of residue 81
TYR
ALA
Atom CA of residue 534
Atom CA of residue 438
Atom CD of residue 139
ILE
Atom O of residue 50
Atom CH2 of residue 41
Atom CA of residue 97
VAL
Atom NE of residue 147
Atom CG2 of residue 112
Atom CA of residue 89
Atom CA of residue 148
Atom CG of residue 31
Atom ND1 of residue 83
Atom O of residue 128
GLY
TRP
Atom CA of residue 526
Atom O of residue 125
GLY
Atom O of residue 11
Atom CA of residue 2642
Atom C of residue 22
VAL
Atom CA of residue 2657
ALA
Atom CD of residue 28
GLU
PRO
LYS
Atom CZ of residue 24
ILE
Atom CA of residue 141
Atom CA of residue 69
Atom CA of residue 556
Atom CA of residue 84
SER
Atom N of residue 150
Atom CD of residue 42
ILE
Atom CA of residue 91
Atom N of residue 130
ALA
Atom OE2 of residue 42
Atom O of residue 83
Atom C of residue 35
Atom CG2 of residue 86
Atom CA of residue 102
P2114
Atom CA of residue 136
Atom CA of residue 577
Atom CB of residue 17
ARG
ASN
Atom CA of residue 54
Atom CA of residue 58
Atom O of residue 75
Atom OE1 of residue 55
Atom NZ of residue 30
Atom OE1 of residue 139
GLN
GLU
Atom CA of residue 19
Atom O of residue 118
VAL
Atom CD2 of residue 35
Atom N of residue 127
PRO
ASP
Atom CB of residue 59
Atom CA of residue 102
Atom CA of residue 498
1z5s_B.pdb
ALA
Atom O of residue 67
PHE
ALA
Atom CA of residue 17
THR
Atom O of residue 105
Atom CA of residue 38
Atom O of residue 29
Atom O of residue 136
Atom CA of residue 121
Atom CA of residue 68
ARG
Atom CA of residue 36
Atom CB of residue 143
Atom CA of residue 99
Model 8
Atom CA of residue 552
GLY
Atom C of residue 48
rigid bodies list
Atom CB of residue 11
Atom O of residue 41
LEU
Atom CA of residue 79
Atom N of residue 54
1z5s_A.pdb
AccumulateRigidBodyDerivatives7
Atom CA of residue 2676
Atom C of residue 97
Atom CG of residue 124
Atom CA of residue 41
TYR
Atom CA of residue 49
Atom CA of residue 584
Atom CA of residue 8
GLN
Atom CA of residue 96
Atom CB of residue 75
Atom CA of residue 535
SER
GLU
Atom C of residue 21
Atom CD of residue 13
Atom CB of residue 75
Atom CA of residue 60
Atom CZ of residue 17
Atom N of residue 51
Atom CA of residue 47
Atom NH1 of residue 13
THR
Atom CA of residue 2658
Atom CB of residue 83
THR
Atom CB of residue 36
Atom CA of residue 88
Atom CA of residue 92
Atom CB of residue 128
Atom CA of residue 17
ALA
Atom CA of residue 95
Atom CA of residue 61
GLY
Atom CB of residue 118
Atom CA of residue 119
Atom CA of residue 465
Atom CE of residue 76
Atom CD1 of residue 112
ALA
Atom N of residue 29
HIS
GLY
LYS
ARG
Atom CB of residue 67
ARG
Atom CA of residue 26
1z5s_D.pdb
Atom NE2 of residue 69
GLU
Atom CD1 of residue 63
Atom N of residue 35
Atom NE2 of residue 55
VAL
LEU
Chain A
Atom C of residue 89
Atom CB of residue 46
Atom CA of residue 117
Atom N of residue 87
LEU
Atom CD of residue 93
Atom O of residue 108
MET
Atom NZ of residue 48
ILE
Atom CB of residue 29
Atom CG of residue 17
UpdateRigidBodyMembers7
THR
Atom CA of residue 128
ILE
Atom NH1 of residue 63
Atom CA of residue 74
PRO
Atom CB of residue 93
Atom OE1 of residue 139
ASP
Atom CG of residue 36
Model 30
Atom OD1 of residue 124
Atom CG of residue 75
Atom CB of residue 41
GLN
ASP
Atom N of residue 43
Atom CB of residue 136
ASN
LEU
Atom NE of residue 13
ASN
ILE
Atom CD of residue 117
Atom N of residue 88
ALA
Atom NH2 of residue 13
Atom CA of residue 503
Atom CA of residue 45
Atom CA of residue 117
LEU
PRO
GLN
GLU
Atom O of residue 48
Atom CG of residue 30
MET
Atom CA of residue 18
Atom C of residue 10
PHE
GLY
Atom CB of residue 72
Atom CA of residue 82
Atom N of residue 84
ASP
SER
Atom CA of residue 22
PRO
Atom CD of residue 141
LEU
Atom CA of residue 473
Atom CA of residue 23
Atom O of residue 97
Atom O of residue 112
Atom CA of residue 140
Atom SG of residue 75
Atom CD2 of residue 77
Atom CG of residue 67
Atom CA of residue 2659
Atom CA of residue 527
Atom O of residue 26
SER
Atom CA of residue 84
ILE
Atom C of residue 59
Atom CA of residue 35
Atom CA of residue 36
THR
Atom CA of residue 88
Atom CA of residue 18
Atom CA of residue 56
Atom CA of residue 557
LYS
Atom CG of residue 29
GLY
GLN
Atom CB of residue 142
ALA
ASP
Atom N of residue 113
Atom CA of residue 59
LYS
THR
Atom CA of residue 31
Atom CA of residue 46
Atom CA of residue 578
Atom O of residue 89
Atom CG of residue 46
Chain D
GLN
Atom CA of residue 2640
LEU
Atom CA of residue 103
Atom CA of residue 23
Atom CA of residue 52
PRO
Atom CB of residue 16
Atom CA of residue 150
Atom CA of residue 517
VAL
Atom CB of residue 108
TYR
Atom CA of residue 57
Atom O of residue 87
Atom CA of residue 53
Atom CA of residue 97
CYS
Atom OD1 of residue 30
Atom CA of residue 85
Atom CA of residue 14
Atom CA of residue 103
Atom CZ2 of residue 53
PHE
Atom C of residue 117
Atom CA of residue 11
Atom CA of residue 90
Atom OD1 of residue 60
ALA
Atom O of residue 10
PHE
PRO
LYS
LYS
Atom OE1 of residue 98
TYR
Atom CA of residue 499
Atom CA of residue 553
MET
Atom CA of residue 84
SER
Atom CD1 of residue 24
LYS
Atom CA of residue 497
Atom CA of residue 48
MET
Atom CG of residue 93
ILE
ASN
ILE
Atom CA of residue 2677
Atom NE of residue 141
Atom ND2 of residue 124
LEU
Atom CG of residue 11
Atom CD of residue 79
Atom N of residue 49
Atom CA of residue 585
THR
PHE
ASP
Atom CB of residue 26
LYS
PRO
Atom N of residue 62
Atom CA of residue 61
Atom CE1 of residue 35
Atom CG of residue 114
SER
Atom OD1 of residue 40
Atom CD2 of residue 43
Atom N of residue 73
Atom CA of residue 48
Atom ND1 of residue 75
Atom C of residue 52
Atom N of residue 25
Atom CA of residue 130
PRO
Atom CA of residue 59
Atom CA of residue 80
Atom CA of residue 94
Atom CA of residue 479
VAL
Atom C of residue 34
Atom C of residue 29
Atom CA of residue 62
Atom O of residue 119
Atom CE1 of residue 77
Atom CG of residue 126
HIS
Atom CZ of residue 13
ASP
Atom CA of residue 120
Atom CA of residue 35
Atom C of residue 15
SER
TYR
Atom C of residue 150
Atom CB of residue 11
GLY
Atom CA of residue 54
Atom CA of residue 98
LYS
Atom OD2 of residue 30
GLU
Atom CB of residue 112
Atom CA of residue 129
Atom CA of residue 147
Atom N of residue 56
Atom NE2 of residue 139
python stream rigid body positions
Atom CD1 of residue 36
Atom CG of residue 127
Atom CA of residue 74
1z5s_A.pdb
Atom CB of residue 89
Atom C of residue 63
Atom CB of residue 87
Atom CD of residue 46
VAL
LEU
Atom OE2 of residue 98
GLN
LYS
ALA
Atom CA of residue 144
Atom N of residue 25
Atom CD1 of residue 107
Atom CD of residue 11
Atom CA of residue 2637
Atom CG2 of residue 51
Atom CA of residue 49
Atom CA of residue 118
PHE
ALA
Atom CA of residue 8
GLU
TYR
Atom CA of residue 16
Atom CA of residue 110
Atom CD of residue 29
Atom CA of residue 88
Atom CD of residue 145
Atom CA of residue 25
Atom CG of residue 16
Atom CG2 of residue 142
PHE
Atom CA of residue 85
Atom O of residue 49
ILE
Atom CA of residue 73
PRO
PRO
Atom CD of residue 67
Atom CA of residue 24
ARG
Atom CB of residue 119
ILE
Atom C of residue 94
VAL
Atom N of residue 125
Atom CA of residue 450
ARG
Atom OE1 of residue 79
Atom C of residue 36
Atom O of residue 30
Atom N of residue 61
TRP
Atom CA of residue 49
Atom CA of residue 532
Atom CA of residue 528
Atom CA of residue 504
Atom CA of residue 46
Atom O of residue 7
MET
MET
Atom CA of residue 58
Atom CA of residue 19
Atom CA of residue 27
Atom CA of residue 39
Atom CE1 of residue 43
Atom O of residue 29
Atom CA of residue 60
Atom CA of residue 13
Atom C of residue 9
Atom O of residue 52
Atom CA of residue 24
Atom CA of residue 2646
Atom CA of residue 558
Atom N of residue 71
Atom CG1 of residue 87
Atom C of residue 26
Atom CA of residue 89
GLU
Atom CA of residue 148
Atom CA of residue 2633
Atom CA of residue 22
ILE
GLY
Atom CA of residue 556
Atom CB of residue 69
Atom CD of residue 93
Atom CG of residue 139
ILE
Atom CA of residue 2660
Atom CA of residue 91
GLY
Atom OD2 of residue 127
Atom CA of residue 579
Atom CA of residue 84
Atom CG of residue 80
Atom C of residue 96
ARG
LEU
LYS
Atom OE1 of residue 11
ILE
SER
Atom CG1 of residue 112
LYS
SER
Atom CB of residue 49
ALA
Atom CD1 of residue 114
ILE
GLU
Atom N of residue 52
LEU
Atom C of residue 8
ASP
ILE
Atom CG of residue 87
Atom CD2 of residue 120
Atom CD2 of residue 75
ASP
GLU
GLY
Atom ND2 of residue 60
Atom N of residue 108
Atom CA of residue 448
Atom CA of residue 45
Atom CB of residue 15
Atom CA of residue 47
Atom C of residue 74
Atom O of residue 63
Atom CG of residue 12
LYS
Atom CA of residue 39
VAL
Atom CA of residue 104
Atom CG of residue 53
LEU
Atom OG of residue 95
Atom C of residue 36
Atom CB of residue 5
Atom O of residue 94
Atom O of residue 142
Atom C of residue 155
Atom OE1 of residue 145
Atom CA of residue 500
Atom CB of residue 30
Atom CB of residue 10
Atom CA of residue 586
LYS
Atom OE1 of residue 29
LYS
Atom CA of residue 90
SER
Atom CA of residue 14
PRO
Atom N of residue 47
Atom CA of residue 474
Atom CA of residue 73
Atom CB of residue 35
Atom C of residue 25
GLY
Atom CG of residue 89
Atom CD2 of residue 36
Atom CA of residue 2638
Atom O of residue 36
ALA
Atom OE1 of residue 67
Atom CA of residue 446
GLY
LEU
SER
Atom CD1 of residue 16
LEU
Atom CA of residue 2678
Atom CA of residue 480
Atom CA of residue 86
Atom NH1 of residue 61
Atom OE2 of residue 79
Atom CA of residue 21
Atom CA of residue 28
Atom CA of residue 82
Atom CB of residue 54
Atom N of residue 124
PRO
Atom CG of residue 98
Atom N of residue 128
Atom CA of residue 8
PHE
SER
SER
GLY
Atom CA of residue 62
PRO
Atom CA of residue 99
ILE
Atom CA of residue 25
Atom CA of residue 17
LEU
GLU
GLY
Atom CG of residue 69
Atom C of residue 119
Atom CA of residue 121
Atom CA of residue 434
Atom CA of residue 60
Atom O of residue 8
Atom CA of residue 85
Atom CA of residue 145
Atom N of residue 68
Atom CA of residue 63
Atom CA of residue 38
Atom CA of residue 91
VAL
Atom CA of residue 90
Atom N of residue 16
LEU
Atom C of residue 49
Atom O of residue 96
ASN
Atom N of residue 90
Atom N of residue 121
Atom CA of residue 25
Atom CA of residue 71
Atom C of residue 50
GLU
Atom N of residue 11
Atom CA of residue 23
LEU
Atom CA of residue 119
Atom CB of residue 71
LYS
Atom CZ of residue 24
Atom CA of residue 80
Atom CB of residue 63
Atom CE2 of residue 87
SER
GLU
LYS
LYS
Atom O of residue 155
LEU
Atom N of residue 126
Atom CD2 of residue 24
Atom CA of residue 526
Atom CG of residue 13
Atom NE2 of residue 43
Atom CA of residue 445
GLU
Atom CD of residue 80
Atom N of residue 96
LEU
Atom C of residue 98
ASN
Atom CD of residue 12
Atom C of residue 131
GLU
ASN
Atom CA of residue 475
Atom OE2 of residue 145
Atom CA of residue 30
Atom C of residue 28
Atom CD2 of residue 87
Atom OD1 of residue 37
Atom CA of residue 61
GLY
ARG
Atom CA of residue 529
Atom CA of residue 505
Atom CA of residue 47
Atom CA of residue 61
PRO
Atom OG1 of residue 35
VAL
MET
Atom N of residue 45
Atom CA of residue 104
Atom C of residue 56
Atom CD of residue 89
PHE
Atom CA of residue 40
Atom CG of residue 6
Atom CA of residue 68
Atom O of residue 27
Atom CA of residue 2
Atom CG1 of residue 25
ALA
Atom CA of residue 55
GLU
Atom CA of residue 559
ASN
PRO
Atom CD of residue 53
Atom C of residue 48
PRO
Atom C of residue 52
ASN
Atom CG of residue 54
Atom CA of residue 467
PRO
LYS
Atom O of residue 36
Atom CA of residue 580
Atom CE1 of residue 36
Atom OD1 of residue 60
Atom CA of residue 28
ARG
Atom CE2 of residue 144
Atom OE1 of residue 143
Atom CA of residue 83
LEU
Atom OG1 of residue 135
LEU
Atom CE2 of residue 22
Atom CA of residue 15
Atom O of residue 50
Atom CA of residue 92
Atom C of residue 73
Atom O of residue 26
MET
TYR
Atom CA of residue 122
LEU
Atom CA of residue 21
Atom CA of residue 477
ILE
Atom N of residue 110
Atom CA of residue 48
GLU
Atom CB of residue 96
LEU
Atom CA of residue 447
LEU
Atom CD1 of residue 120
Atom CA of residue 105
Atom O of residue 98
Atom O of residue 69
Atom OE2 of residue 67
Atom CA of residue 9
Atom CA of residue 125
Atom CB of residue 89
Atom OE1 of residue 12
LYS
ALA
Atom CA of residue 142
Atom OG of residue 71
Atom CA of residue 435
LEU
Atom CA of residue 501
Atom O of residue 56
Atom CA of residue 59
THR
Atom CA of residue 587
Atom OG of residue 7
Atom N of residue 48
Atom CA of residue 18
Atom CA of residue 449
Atom CA of residue 76
MET
Atom O of residue 87
Atom CD1 of residue 6
Atom CA of residue 446
GLN
Atom CB of residue 31
VAL
Atom CA of residue 74
Atom CA of residue 157
TRP
Atom OE1 of residue 93
ASP
LYS
Atom C of residue 77
Atom CA of residue 40
SER
Atom CB of residue 155
Atom CE1 of residue 75
Atom CE1 of residue 87
Atom N of residue 81
ILE
ILE
ASN
LEU
Atom OG of residue 89
Atom CB of residue 27
SER
GLY
Atom O of residue 131
Atom CA of residue 87
Atom CA of residue 2679
Atom CE of residue 37
ILE
ASN
ILE
Atom O of residue 49
Atom CA of residue 128
Atom CA of residue 31
Atom C of residue 71
LEU
ASP
Atom CA of residue 89
Atom CA of residue 113
Atom CA of residue 63
Atom CA of residue 142
Atom CA of residue 10
Atom NE2 of residue 29
Atom CB of residue 36
Atom CZ of residue 144
ASN
Atom CG2 of residue 135
VAL
Atom CD2 of residue 22
Atom CZ of residue 22
Atom CA of residue 22
Atom CA of residue 61
Atom CA of residue 527
Atom OE1 of residue 53
Atom N of residue 9
Atom CA of residue 481
Atom CA of residue 89
Atom ND2 of residue 60
VAL
Atom CA of residue 83
Atom CA of residue 91
ARG
Atom CA of residue 56
Atom ND2 of residue 37
Atom CA of residue 64
Atom CA of residue 437
LYS
Atom CA of residue 86
Atom OE2 of residue 143
ALA
Atom O of residue 73
TYR
Atom CB of residue 26
VAL
Atom CA of residue 2
Atom CA of residue 64
Atom O of residue 68
PRO
Atom OG of residue 31
GLY
Atom CA of residue 126
Atom OG of residue 89
Atom CA of residue 62
Atom CG2 of residue 25
Atom CG2 of residue 27
SER
Atom CA of residue 105
Atom CA of residue 98
LYS
Atom CA of residue 155
VAL
Atom CB of residue 64
Atom CA of residue 101
Atom CA of residue 53
Chain D
Atom CG1 of residue 86
Atom CA of residue 47
Atom CE2 of residue 36
Atom CD1 of residue 137
Atom CA of residue 34
Atom CD1 of residue 22
MET
ALA
ALA
LEU
PRO
Atom OE1 of residue 89
Atom CB of residue 25
Model 27
ILE
Atom CA of residue 96
Atom CG2 of residue 35
Atom CA of residue 122
Atom CB of residue 87
Atom CA of residue 52
Atom O of residue 126
Atom OE2 of residue 12
Atom CA of residue 120
Atom O of residue 80
Atom CA of residue 125
Atom CA of residue 141
Atom CG1 of residue 27
Atom CB of residue 49
Atom C of residue 54
LEU
LYS
GLU
GLY
ALA
Atom CA of residue 530
Atom CA of residue 42
LYS
Atom OE2 of residue 93
VAL
LEU
THR
Atom CB of residue 98
Atom N of residue 136
Atom N of residue 68
Atom NZ of residue 146
Atom CA of residue 87
PRO
Atom CA of residue 560
SER
PHE
ASP
Atom O of residue 77
ALA
LYS
Atom NE2 of residue 75
Atom CA of residue 438
LEU
Atom NZ of residue 37
Atom N of residue 72
GLY
LEU
Atom CA of residue 581
Atom CA of residue 506
Atom CA of residue 48
PRO
Atom N of residue 57
Atom N of residue 47
Atom C of residue 30
Atom OH of residue 144
Atom CG of residue 36
ARG
Atom CA of residue 24
LYS
PRO
Atom CA of residue 19
Atom CA of residue 41
PHE
Atom N of residue 32
Atom CA of residue 60
Atom N of residue 28
Atom C of residue 61
GLY
Atom N of residue 65
Atom N of residue 26
Atom N of residue 38
Atom N of residue 61
Atom CA of residue 476
SER
Atom NE2 of residue 35
THR
HIS
Atom N of residue 90
Atom CA of residue 82
Atom CZ of residue 36
THR
Atom CA of residue 143
Atom C of residue 147
GLU
VAL
ILE
GLY
VAL
Atom CE1 of residue 22
Atom CA of residue 102
Atom O of residue 132
Atom CZ of residue 36
Atom OD1 of residue 127
PRO
Atom N of residue 105
GLU
Atom NH2 of residue 147
Atom OE2 of residue 89
Atom CE2 of residue 87
TRP
Atom CG of residue 25
Atom CA of residue 468
Atom CB of residue 80
ASP
LEU
Atom N of residue 122
Atom CA of residue 142
Atom CA of residue 135
Atom CG of residue 49
Atom CA of residue 23
Atom CG of residue 64
Atom CA of residue 77
Atom CD2 of residue 114
LYS
GLY
Atom N of residue 148
Atom CA of residue 478
PHE
Atom CD2 of residue 137
Atom CZ of residue 64
Atom CG2 of residue 87
Atom CA of residue 49
LEU
Atom CA of residue 528
Atom CG2 of residue 86
Atom CA of residue 131
Atom CA of residue 20
Atom CA of residue 21
ASP
Atom CA of residue 41
Atom CA of residue 48
GLY
Atom CG of residue 146
Atom CA of residue 448
Atom NE2 of residue 11
Atom CA of residue 106
VAL
LEU
Atom C of residue 53
Atom N of residue 76
Atom CA of residue 502
Atom C of residue 116
Atom CG2 of residue 96
LYS
Atom CA of residue 23
Atom O of residue 38
Atom CA of residue 24
Atom CE2 of residue 134
ASP
ILE
LEU
SER
LYS
LYS
LYS
VAL
Atom N of residue 145
Atom N of residue 144
SER
Atom CB of residue 77
SER
Atom CA of residue 100
ILE
Atom CA of residue 22
Atom CG2 of residue 125
SER
Atom CA of residue 83
Atom C of residue 110
PHE
Atom CA of residue 92
Atom CA of residue 104
Atom CA of residue 3
Atom CE of residue 46
Atom CA of residue 2680
Atom CA of residue 482
Atom O of residue 61
Atom N of residue 36
Atom C of residue 82
Atom N of residue 37
Atom N of residue 146
Atom CA of residue 88
Atom C of residue 110
ARG
Atom CA of residue 81
ALA
PRO
Atom CA of residue 96
Atom CA of residue 85
Atom CA of residue 64
Atom CA of residue 106
GLY
Atom O of residue 30
Atom CA of residue 90
Atom N of residue 119
GLY
Atom ND1 of residue 75
Atom CD of residue 25
SER
Atom CB of residue 132
Atom CA of residue 123
LEU
GLY
SER
Atom NE2 of residue 130
LYS
CYS
Atom CA of residue 2662
LYS
Atom O of residue 21
Atom N of residue 37
Atom CA of residue 63
ARG
Atom C of residue 84
SER
GLY
SER
LYS
Atom N of residue 94
Atom CA of residue 20
Atom CA of residue 65
ASP
Atom CA of residue 43
Atom CD1 of residue 22
Atom CD1 of residue 144
Atom C of residue 79
PRO
Atom C of residue 68
Atom CA of residue 25
Atom CA of residue 13
Atom C of residue 27
Atom CA of residue 143
TRP
Atom CA of residue 121
THR
Atom N of residue 38
PHE
PRO
Atom CA of residue 447
Atom N of residue 87
ASP
Atom CD1 of residue 64
GLU
ARG
Atom CZ of residue 134
LEU
Atom N of residue 115
LYS
Atom CE of residue 154
Atom CA of residue 531
Atom C of residue 25
Atom CA of residue 471
Atom CE1 of residue 137
Atom N of residue 65
PRO
Atom O of residue 53
Atom N of residue 90
Atom CA of residue 86
Atom CA of residue 104
Atom CA of residue 71
Atom O of residue 20
Atom N of residue 84
Atom CA of residue 32
Atom O of residue 116
Atom CD1 of residue 96
Atom O of residue 88
SER
Atom CB of residue 38
Atom CA of residue 561
LYS
CYS
Atom N of residue 68
Atom O of residue 82
LYS
LYS
Atom CG2 of residue 109
TYR
ILE
Chain A
Atom CD1 of residue 125
Atom CA of residue 507
Atom CA of residue 49
Atom CD of residue 49
Atom CA of residue 147
Atom C of residue 85
Atom CA of residue 439
PHE
Atom N of residue 80
Atom C of residue 119
ASP
Atom N of residue 12
Atom CA of residue 71
Atom CB of residue 30
Atom CA of residue 100
Atom CZ2 of residue 16
Atom CA of residue 42
Atom CA of residue 57
Atom O of residue 110
Atom NZ of residue 46
UnaryFunction1
Atom CA of residue 109
Atom CB of residue 41
Atom CA of residue 57
PHE
Atom O of residue 110
Atom O of residue 27
Atom CA of residue 143
Atom CA of residue 128
Atom CD2 of residue 144
CYS
P2114
Atom CA of residue 94
PRO
VAL
GLU
Atom CG of residue 72
Atom CA of residue 16
Atom CA of residue 134
TRP
Atom CA of residue 28
Atom CA of residue 466
Atom O of residue 84
Atom CA of residue 477
Atom CB of residue 21
Atom CA of residue 136
Atom CA of residue 98
Atom CA of residue 87
Atom CB of residue 62
Atom CB of residue 84
Atom CA of residue 65
Atom CD2 of residue 75
Atom CA of residue 123
Atom C of residue 135
LYS
Atom CA of residue 21
Atom CB of residue 20
ALA
ILE
LEU
Atom O of residue 25
Atom CB of residue 21
Atom CA of residue 479
ILE
Atom CD of residue 46
TYR
Atom CA of residue 529
Atom CG1 of residue 45
VAL
LEU
ASN
HIS
Atom CA of residue 84
Atom CA of residue 105
Atom CA of residue 448
Atom O of residue 150
GLU
GLY
VAL
Atom ND2 of residue 121
GLN
Atom CA of residue 37
LEU
Atom CA of residue 32
ALA
Atom N of residue 131
Atom CA of residue 107
GLY
Atom CA of residue 503
GLY
LEU
Atom CZ of residue 149
Atom CA of residue 78
GLY
Atom CA of residue 64
Atom CA of residue 61
Atom CZ3 of residue 16
Atom CB of residue 88
Atom CD2 of residue 22
Atom CA of residue 76
PRO
Atom C of residue 111
Atom C of residue 57
LYS
PHE
SER
Atom C of residue 132
Atom CE of residue 153
Atom CA of residue 49
Atom CB of residue 82
PRO
Atom CG1 of residue 96
Atom CD2 of residue 58
Atom CD1 of residue 109
Atom CG1 of residue 38
Atom O of residue 104
Atom CB of residue 27
Atom CG of residue 30
PHE
LYS
Atom CA of residue 2683
Atom CB of residue 61
Atom C of residue 109
Atom OG1 of residue 41
Atom CA of residue 34
LYS
Atom O of residue 128
Atom O of residue 119
Atom CA of residue 462
Atom C of residue 24
Atom CA of residue 52
TYR
Atom OE1 of residue 49
Atom C of residue 65
GLU
Atom O of residue 85
Atom CB of residue 6
Atom CA of residue 65
Atom CA of residue 107
Atom C of residue 83
Atom O of residue 68
Atom CG of residue 62
Atom CG of residue 84
Atom OE1 of residue 130
Atom CA of residue 37
Atom CA of residue 31
ASP
Atom CA of residue 144
GLN
Atom CB of residue 110
Atom CA of residue 9
Atom CA of residue 449
Atom C of residue 136
GLU
Atom CA of residue 110
LEU
Atom CA of residue 483
Atom CA of residue 124
ARG
P2117
Atom ND2 of residue 85
Atom CB of residue 150
VAL
Atom NH2 of residue 63
Atom C of residue 53
Atom CA of residue 90
Atom CE1 of residue 144
Atom CA of residue 478
Atom CA of residue 14
Atom CA of residue 58
Atom C of residue 105
Atom CA of residue 8
Atom CA of residue 37
Atom CA of residue 64
Atom CA of residue 26
Atom CE1 of residue 75
Atom C of residue 21
Atom CA of residue 66
SER
ASN
SER
Atom CE2 of residue 51
VAL
Atom O of residue 21
LEU
Atom C of residue 65
LYS
THR
Atom ND2 of residue 85
Atom CA of residue 532
Atom CA of residue 2648
GLY
Atom C of residue 76
Atom CA of residue 5
Atom N of residue 14
Atom CA of residue 2661
Atom N of residue 16
LEU
Atom CA of residue 44
Atom CA of residue 42
ASN
Atom O of residue 57
Atom NZ of residue 153
Atom CD of residue 72
GLU
GLU
TYR
Atom C of residue 5
Atom ND2 of residue 37
Atom CB of residue 13
Atom CA of residue 89
Atom CG1 of residue 27
GLU
Atom CA of residue 562
Atom CA of residue 122
Atom N of residue 104
Atom C of residue 67
Atom CA of residue 48
Atom CA of residue 98
ASP
Atom C of residue 31
Atom CA of residue 472
Atom C of residue 20
Atom CA of residue 135
Atom CA of residue 97
Atom CE1 of residue 58
Atom CH2 of residue 16
Atom CD of residue 88
Atom CA of residue 452
Atom CA of residue 68
Atom CA of residue 80
Atom O of residue 111
Atom CA of residue 2684
Atom OG of residue 61
GLU
Atom CA of residue 72
Atom CA of residue 72
TYR
Atom N of residue 57
ARG
Atom CA of residue 101
LEU
Atom CG1 of residue 109
SER
Atom N of residue 15
LEU
Atom CA of residue 88
Atom CG2 of residue 45
Atom N of residue 20
Atom CA of residue 25
GLU
Atom NH1 of residue 149
Atom O of residue 109
Atom O of residue 135
LYS
Atom C of residue 14
Atom N of residue 69
1z5s_C1.pdb RigidBodyHierarchy 1
python stream
Atom CA of residue 508
Atom CA of residue 50
Atom O of residue 24
Atom OE2 of residue 132
LEU
Atom O of residue 83
Atom N of residue 48
Atom C of residue 53
Atom CA of residue 436
Atom CA of residue 50
LYS
Atom N of residue 110
Atom N of residue 86
Atom CA of residue 2643
Atom CZ of residue 51
Atom CG2 of residue 41
Atom CA of residue 43
Atom CA of residue 4
Atom O of residue 136
Atom CD1 of residue 9
Atom CA of residue 62
Atom N of residue 64
Atom CB of residue 119
LeavesRefiner0
PRO
Atom CB of residue 57
Atom O of residue 65
ILE
Atom N of residue 86
Atom N of residue 151
ALA
LEU
Atom CA of residue 4
Atom O of residue 76
THR
Atom C of residue 90
VAL
Atom CA of residue 24
Atom N of residue 148
ASN
SER
LYS
GLY
Atom CA of residue 100
Atom CA of residue 517
Atom CB of residue 33
Atom O of residue 31
Atom CA of residue 34
Atom CG2 of residue 27
Atom CA of residue 57
Atom CA of residue 18
Atom CA of residue 33
PHE
Atom N of residue 38
Atom CA of residue 122
Atom SD of residue 62
Atom CD of residue 84
LYS
Atom C of residue 37
GLU
Atom CD of residue 13
LYS
PRO
Atom CE1 of residue 68
GLU
Atom N of residue 73
Atom CE of residue 59
TYR
Atom OE2 of residue 49
Atom O of residue 53
Atom CA of residue 17
Atom CA of residue 480
LYS
LYS
Atom CA of residue 74
Atom CB of residue 24
Atom C of residue 37
LEU
PRO
Atom CA of residue 145
Atom CA of residue 50
LYS
HIS
LEU
Atom CA of residue 450
ALA
Atom C of residue 80
Atom N of residue 30
HIS
Atom N of residue 89
Atom NH2 of residue 149
ILE
Atom O of residue 34
Atom CA of residue 108
Atom CA of residue 504
Atom CB of residue 111
Atom CB of residue 91
Atom O of residue 67
Atom N of residue 103
Atom CA of residue 463
Atom N of residue 21
THR
LEU
Atom C of residue 76
ASN
GLY
Atom N of residue 154
ALA
PRO
Atom CD2 of residue 9
GLU
GLY
Atom CA of residue 93
Atom N of residue 50
ARG
Atom CA of residue 484
Atom CB of residue 109
LEU
Atom N of residue 31
THR
Atom CA of residue 136
Atom CA of residue 2651
VAL
LYS
VAL
Atom CA of residue 125
Atom CA of residue 133
Atom CA of residue 108
GLU
Atom CB of residue 136
Atom CB of residue 83
LYS
Atom O of residue 53
GLU
Atom CB of residue 65
Atom C of residue 94
LEU
Atom N of residue 143
Atom CG of residue 33
Atom CA of residue 18
Atom CA of residue 3
Atom N of residue 24
Atom CB of residue 135
Atom CA of residue 63
Atom CE1 of residue 20
GLY
Atom CA of residue 518
PHE
Atom CA of residue 469
Atom C of residue 81
MET
Atom CA of residue 73
LEU
Atom CA of residue 50
Atom CA of residue 533
VAL
PHE
Atom CA of residue 479
Atom CA of residue 19
Atom O of residue 68
ASP
LYS
Atom CB of residue 53
Atom CA of residue 45
Atom CA of residue 73
Atom OG of residue 95
LYS
Atom O of residue 37
Atom CB of residue 76
Atom O of residue 90
Atom CA of residue 27
Atom CA of residue 9
Atom CA of residue 67
Atom CA of residue 563
LEU
Atom OE1 of residue 84
Atom CA of residue 123
Atom N of residue 62
SER
LEU
Atom N of residue 40
Atom C of residue 7
Atom CA of residue 99
Atom CA of residue 46
THR
ILE
SER
Atom N of residue 34
Atom CD1 of residue 77
SER
Atom CG of residue 91
Atom NZ of residue 59
Atom CA of residue 136
GLN
Atom CA of residue 2650
Atom C of residue 13
LYS
Atom CG of residue 24
GLN
VAL
Atom CB of residue 67
VAL
Atom CG of residue 81
Atom CA of residue 2681
GLY
Atom CA of residue 66
Atom CA of residue 50
Atom CG of residue 146
ASP
Atom CA of residue 34
Atom CA of residue 59
Atom CG1 of residue 57
TRP
Atom CA of residue 49
Atom N of residue 50
LYS
TYR
SER
Atom CB of residue 76
HIS
ILE
GLU
Atom C of residue 109
Atom CB of residue 122
Atom CA of residue 509
Atom CA of residue 20
Atom CA of residue 34
Atom O of residue 37
LYS
Atom CB of residue 105
GLU
Atom CE2 of residue 68
ALA
THR
SER
Atom CA of residue 13
GLU
Atom CA of residue 102
Atom CB of residue 7
Atom CA of residue 2644
GLU
Atom CB of residue 68
Atom CA of residue 6
Atom CA of residue 2652
Atom CA of residue 62
Atom CA of residue 75
Atom OE1 of residue 92
Atom O of residue 81
Atom CA of residue 44
ALA
Atom CB of residue 29
Atom CB of residue 53
Atom N of residue 30
ILE
Atom O of residue 9
TRP
ILE
LEU
PRO
GLY
Atom N of residue 133
HIS
Atom O of residue 94
Atom CA of residue 434
VAL
Atom CA of residue 27
Atom CA of residue 86
Atom CA of residue 519
GLU
LEU
Atom N of residue 96
Atom CA of residue 67
VAL
Atom CA of residue 466
Atom CA of residue 100
Atom CA of residue 137
ALA
PHE
GLY
Atom CD2 of residue 9
Atom CA of residue 481
Atom CA of residue 90
Atom CA of residue 8
Atom OH of residue 134
PHE
Atom O of residue 33
Atom CA of residue 81
Atom CB of residue 37
PRO
GLN
PRO
Atom CA of residue 148
ALA
Atom N of residue 58
Atom CA of residue 30
Atom CA of residue 69
Atom CA of residue 28
GLY
Atom CA of residue 505
NullModifier0
ASN
LYS
SER
Atom C of residue 18
Atom CA of residue 464
Atom CA of residue 451
Atom CA of residue 3
Atom CG of residue 29
Atom N of residue 78
Atom CA of residue 109
LEU
Atom CD of residue 76
Atom CD1 of residue 81
Atom CA of residue 24
Atom OE2 of residue 20
VAL
Atom CG of residue 28
Atom CA of residue 63
Atom CZ of residue 68
Atom CA of residue 99
Atom CA of residue 51
Atom C of residue 122
Atom N of residue 70
Atom O of residue 91
Atom C of residue 55
Atom CZ of residue 22
Atom CA of residue 154
Atom CB of residue 69
Atom NE2 of residue 20
SER
Atom N of residue 52
Atom CA of residue 151
Atom C of residue 48
Atom CA of residue 79
Atom CG2 of residue 57
ASP
Atom N of residue 10
Atom OG1 of residue 76
Atom CA of residue 137
GLY
ASP
Atom CG of residue 122
GLU
GLU
Atom CA of residue 523
Atom CG of residue 105
SER
LYS
Atom CA of residue 9
Atom CA of residue 73
TRP
Atom CA of residue 109
Atom CD1 of residue 24
PRO
HIS
Atom OE2 of residue 84
Atom O of residue 4
Atom OG1 of residue 29
Atom N of residue 30
Atom CA of residue 126
ARG
Atom C of residue 88
ASP
ILE
Atom CA of residue 39
Atom O of residue 81
Atom N of residue 67
Atom CA of residue 485
Atom CA of residue 42
Atom NE2 of residue 92
Atom CA of residue 104
LYS
Atom N of residue 60
Atom CB of residue 107
Atom CA of residue 534
Atom CA of residue 28
GLY
ARG
ASP
Atom CA of residue 29
Atom C of residue 118
Atom CG1 of residue 142
ALA
Atom CG of residue 37
Atom CA of residue 74
Atom CA of residue 7
Atom CA of residue 2662
Atom CD of residue 29
Atom O of residue 78
Atom N of residue 81
Atom CB of residue 94
Atom CA of residue 564
Atom C of residue 69
Atom C of residue 72
Atom CA of residue 68
LYS
Atom C of residue 68
ILE
ASN
Atom CA of residue 41
Atom C of residue 50
SER
TYR
LEU
LEU
Atom CA of residue 98
Atom C of residue 151
Atom CA of residue 82
Atom CA of residue 62
Atom CD of residue 151
Atom N of residue 135
Atom CA of residue 470
Atom CA of residue 51
LEU
Atom C of residue 103
Atom CA of residue 16
Atom CA of residue 146
SER
CYS
Atom CB of residue 64
ASP
Atom CA of residue 2647
Atom O of residue 66
ASP
Atom C of residue 154
normalize rigid bodies
Atom N of residue 21
Atom CA of residue 124
Atom O of residue 55
Atom CA of residue 5
Model 2
Atom C of residue 20
Atom CG of residue 69
Atom CB of residue 59
Atom CA of residue 6
Atom CA of residue 30
Atom CA of residue 116
Atom CA of residue 20
Atom CB of residue 91
Atom CB of residue 117
Atom N of residue 33
ASP
Atom O of residue 33
LYS
LEU
LYS
PRO
Atom C of residue 39
PRO
Atom CA of residue 2682
Atom CG2 of residue 38
MET
GLU
Atom O of residue 41
SER
ALA
THR
Atom C of residue 28
Atom CA of residue 103
Atom N of residue 18
LEU
THR
Atom CA of residue 21
Atom CA of residue 35
Atom CG1 of residue 107
ASN
Atom CB of residue 90
GLU
GLY
Atom OE1 of residue 122
Atom CA of residue 510
Atom N of residue 4
Atom CA of residue 91
Atom CA of residue 75
1z5s_B.pdb
Atom CD of residue 105
Atom CA of residue 472
Atom C of residue 41
Atom CB of residue 81
Atom OE1 of residue 29
ARG
VAL
THR
Atom O of residue 28
Atom CA of residue 106
CYS
Atom O of residue 69
Atom C of residue 62
Atom CG2 of residue 29
Atom CA of residue 96
Atom CA of residue 149
Atom O of residue 122
Atom CA of residue 138
Atom C of residue 49
ASP
THR
Atom N of residue 9
Atom CA of residue 45
Atom CA of residue 64
Atom CA of residue 2647
Atom CA of residue 87
GLU
Atom CA of residue 8
Atom N of residue 47
Atom CG2 of residue 76
ASP
Atom N of residue 85
Atom CA of residue 2649
Atom CB of residue 78
GLU
Atom O of residue 154
Atom C of residue 49
Atom O of residue 72
VAL
Atom CA of residue 93
ASN
Atom CA of residue 2674
Atom N of residue 66
Atom CA of residue 53
Atom CA of residue 2663
LYS
Atom CB of residue 39
Atom N of residue 39
Atom N of residue 23
PRO
Atom O of residue 20
Atom C of residue 30
Atom CA of residue 117
Atom CG of residue 64
Atom CB of residue 73
Atom O of residue 151
GLU
Atom CD1 of residue 91
Atom O of residue 28
Atom CA of residue 482
Atom OE1 of residue 151
THR
Atom CB of residue 33
Atom CA of residue 524
ALA
Atom CB of residue 55
Atom CA of residue 37
Atom CA of residue 10
Atom CA of residue 60
Atom CA of residue 84
UnaryFunction2
Atom CA of residue 497
Atom N of residue 3
GLN
Atom ND2 of residue 121
Atom CA of residue 450
ARG
Atom CA of residue 25
GLY
Atom CD1 of residue 38
Atom N of residue 93
ARG
Atom CA of residue 44
Atom CA of residue 506
ALA
Atom CG of residue 59
Atom CA of residue 110
Atom CA of residue 85
ASN
MET
Atom CA of residue 30
ALA
Atom O of residue 61
Atom CA of residue 36
Atom CA of residue 76
ASN
AccumulateRigidBodyDerivatives9
Atom CD of residue 37
Atom CA of residue 79
LEU
LEU
Atom CA of residue 52
LEU
Atom O of residue 61
Atom CA of residue 486
Atom O of residue 62
Atom N of residue 91
Atom CA of residue 535
VAL
Atom CB of residue 85
Atom NE2 of residue 29
Atom C of residue 10
Atom CD of residue 69
Atom CD of residue 69
Atom CB of residue 28
Atom O of residue 50
Atom N of residue 77
Atom N of residue 58
Atom CA of residue 50
LEU
Atom NE of residue 13
Atom CA of residue 12
LEU
Atom CG of residue 30
Atom CA of residue 110
Atom CA of residue 565
Atom C of residue 149
Atom NE2 of residue 117
Atom CA of residue 94
Atom N of residue 29
MET
Atom CA of residue 92
ASP
LEU
GLU
Atom CA of residue 54
LEU
ILE
Atom CA of residue 12
LYS
UpdateRigidBodyMembers9
LYS
Atom C of residue 16
Atom CA of residue 105
Atom CE1 of residue 22
Atom CA of residue 99
Atom CA of residue 33
ASP
CYS
Atom OE2 of residue 12
Atom CG of residue 33
LYS
Atom CA of residue 7
Atom CG2 of residue 107
Atom CB of residue 72
Atom CA of residue 67
Atom CD of residue 128
LEU
Atom CA of residue 85
ARG
Atom CG of residue 39
Atom CA of residue 127
Atom CA of residue 146
GLY
Atom O of residue 49
Atom CE2 of residue 91
Atom CB of residue 151
Atom CA of residue 69
Atom CA of residue 125
Atom CA of residue 150
Atom N of residue 39
Atom O of residue 10
SER
Atom CA of residue 577
Atom CG of residue 73
Atom NE2 of residue 151
Atom N of residue 122
ALA
Atom CA of residue 40
Atom CB of residue 62
1z5s_A.pdb rigid body positions
Atom O of residue 91
Atom CA of residue 2655
PRO
Atom CA of residue 21
Atom CA of residue 39
Atom CB of residue 69
Atom CB of residue 22
Atom CG2 of residue 92
GLY
Atom CA of residue 102
Atom CA of residue 70
Atom CA of residue 29
Atom CA of residue 23
Atom C of residue 61
Atom C of residue 13
LEU
CYS
TRP
Atom CA of residue 511
Atom CG of residue 100
Atom CD of residue 59
PRO
VAL
Atom N of residue 120
Atom CA of residue 78
Atom CD1 of residue 64
ARG
GLY
LeavesRefiner1
VAL
HIS
Atom CA of residue 31
Atom CB of residue 154
LYS
Atom CA of residue 21
Atom CA of residue 37
Atom CB of residue 147
Atom CG of residue 85
Atom CE of residue 37
LYS
GLN
THR
Atom CA of residue 525
PRO
Atom CA of residue 104
Atom O of residue 149
Atom CA of residue 23
Atom CB of residue 50
Atom OE1 of residue 117
PRO
Atom O of residue 21
GLU
Atom CA of residue 88
Atom CA of residue 100
Atom C of residue 33
Atom O of residue 113
Atom CZ of residue 13
Atom CD of residue 33
ASP
Atom CA of residue 47
ILE
Atom CA of residue 61
ILE
Atom CA of residue 1
ILE
Atom CA of residue 2675
Atom CG of residue 55
Atom N of residue 13
VAL
Atom CA of residue 91
Atom CA of residue 473
Atom CA of residue 2648
Atom CA of residue 571
Atom CA of residue 465
SER
Atom CA of residue 58
Atom O of residue 16
ASN
Atom C of residue 122
ARG
Atom CB of residue 64
Atom C of residue 95
Atom C of residue 6
Atom CA of residue 483
ALA
NormalizeRotation4
Atom CA of residue 39
GLN
MET
Atom N of residue 129
GLN
Atom CA of residue 41
Atom CB of residue 54
Atom CA of residue 451
Atom CB of residue 49
Atom CG of residue 151
GLY
Atom CA of residue 507
Atom CA of residue 2664
Atom CA of residue 7
Atom CA of residue 7
VAL
Atom CA of residue 21
Atom CB of residue 91
Atom CA of residue 2656
Atom OD1 of residue 73
Atom CG of residue 22
Atom N of residue 93
Atom CA of residue 60
Atom CA of residue 151
Atom CA of residue 111
Atom CA of residue 11
GLU
Atom CB of residue 58
Atom CA of residue 6
Atom CB of residue 21
Atom CG of residue 69
Atom C of residue 37
GLU
1z5s_D.pdb rigid body positions
Atom CA of residue 45
SER
THR
Atom C of residue 23
ILE
Atom CA of residue 118
ILE
LEU
Atom CA of residue 58
Atom CB of residue 117
Atom CA of residue 536
ALA
Atom CA of residue 65
ILE
SER
Atom N of residue 145
Atom CG of residue 20
Atom CA of residue 22
Atom CA of residue 54
Atom CB of residue 149
Atom CA of residue 51
Atom CA of residue 2
Atom OE1 of residue 33
Atom CA of residue 128
Atom CG of residue 154
GLU
Atom CA of residue 566
Atom CA of residue 74
SER
ILE
Atom CD of residue 85
Atom CA of residue 83
Atom CA of residue 38
Atom CB of residue 113
Atom CA of residue 77
Atom CA of residue 111
Atom CG2 of residue 116
Atom C of residue 91
Atom CA of residue 3
Atom CA of residue 572
Atom C of residue 58
Atom CA of residue 487
Atom CA of residue 106
Atom CE3 of residue 16
Atom CA of residue 147
ILE
LEU
GLN
ASP
Atom CG of residue 41
Atom CA of residue 8
Atom CA of residue 5
Atom C of residue 39
Atom CA of residue 39
Atom CG of residue 62
Atom CA of residue 39
GLU
PRO
Atom CA of residue 59
Atom CD1 of residue 22
Atom OD1 of residue 100
Atom O of residue 15
Atom CA of residue 126
VAL
Atom CG of residue 54
Atom CB of residue 63
GLN
PRO
Atom CA of residue 32
Atom CA of residue 70
SER
Atom CA of residue 77
Atom CB of residue 122
Atom CA of residue 578
Atom CA of residue 62
Atom O of residue 95
Atom CA of residue 475
Atom CB of residue 25
GLN
Atom O of residue 2
Atom CA of residue 52
PRO
ALA
THR
Atom CG of residue 21
Atom CA of residue 129
ALA
PHE
Atom OG of residue 50
Atom CA of residue 56
TRP
VAL
Atom CB of residue 92
Atom NZ of residue 37
Atom CA of residue 120
PRO
TYR
Atom CG of residue 58
Atom CA of residue 98
Atom CD of residue 55
LEU
Atom CA of residue 103
Atom CA of residue 71
AccumulateRigidBodyDerivatives8
Atom O of residue 22
Atom CG1 of residue 92
GLU
Atom CB of residue 145
Atom CA of residue 46
Atom CD of residue 20
Atom C of residue 56
SER
Atom C of residue 64
Atom CD1 of residue 116
ALA
Atom OE2 of residue 33
PRO
Atom O of residue 37
Atom CA of residue 55
Atom CB of residue 88
LEU
Atom O of residue 58
ARG
Atom C of residue 39
Atom CA of residue 79
Atom C of residue 58
Atom CA of residue 105
Atom CD of residue 151
Atom N of residue 23
Atom N of residue 79
Atom CA of residue 79
Atom CA of residue 68
GLY
Atom CA of residue 512
Atom O of residue 39
Atom CG of residue 113
GLN
LEU
Atom C of residue 59
LEU
Atom CG of residue 149
UpdateRigidBodyMembers8
Atom N of residue 49
Atom CA of residue 93
ALA
PRO
Atom CG of residue 117
Atom CG of residue 63
TYR
Atom OE1 of residue 85
ILE
Atom C of residue 134
Atom CD of residue 69
SER
Atom CA of residue 2630
Atom CG of residue 122
HIS
ARG
Atom N of residue 70
Atom CA of residue 2645
Atom CA of residue 89
Atom CA of residue 89
Atom CB of residue 15
Atom CB of residue 128
ASP
Atom CD1 of residue 41
Atom CA of residue 512
Atom CA of residue 10
PRO
SER
ILE
Atom CB of residue 95
Atom CG1 of residue 25
AccumulateRigidBodyDerivatives6
Atom O of residue 67
Atom CA of residue 2676
Atom CZ of residue 104
LEU
Atom CA of residue 2653
Atom CB of residue 125
Atom CD of residue 154
Atom CA of residue 2665
Atom CG1 of residue 92
P2118
SER
Atom CA of residue 38
Atom C of residue 77
Atom CA of residue 43
Atom C of residue 71
Atom CA of residue 152
Atom OE1 of residue 20
THR
Atom OD2 of residue 100
Atom O of residue 115
GLU
THR
GLY
Atom C of residue 98
Atom CD1 of residue 62
GLY
Atom CA of residue 452
Atom CA of residue 14
Atom CD of residue 118
Atom O of residue 56
Atom O of residue 64
Atom C of residue 120
Atom CA of residue 508
Atom OD2 of residue 66
Atom CA of residue 75
Atom CA of residue 537
Atom CG of residue 88
ILE
Atom CA of residue 122
Atom CD of residue 54
Atom OE1 of residue 55
GLU
Atom CA of residue 129
Atom CA of residue 65
PHE
Atom CG of residue 145
Atom CA of residue 486
Atom CA of residue 112
Atom CA of residue 472
Atom N of residue 117
Atom C of residue 24
Atom N of residue 51
Atom CA of residue 15
LYS
Atom CA of residue 567
Atom CA of residue 84
Atom N of residue 38
Atom OE1 of residue 69
LEU
ASP
Atom CA of residue 488
Atom N of residue 34
Atom O of residue 39
ILE
ARG
Atom O of residue 58
GLU
Atom OE1 of residue 151
Atom CD1 of residue 6
Atom CG of residue 61
LYS
Atom CA of residue 56
ILE
Atom CB of residue 62
Atom CD of residue 58
Atom CA of residue 114
Atom CA of residue 87
Atom O of residue 59
Atom CG of residue 128
GLY
Atom CA of residue 69
Atom C of residue 72
SER
ASP
Atom CB of residue 146
Atom CA of residue 112
Atom CE of residue 154
Atom CA of residue 52
Atom CB of residue 67
Atom CA of residue 94
Atom CA of residue 107
Atom N of residue 116
Atom CA of residue 579
PRO
LYS
P2119
Atom C of residue 89
ALA
Atom CD2 of residue 41
Atom N of residue 142
ASP
GLU
Atom CA of residue 57
Atom CB of residue 54
LYS
Atom CB of residue 100
Atom O of residue 25
THR
Atom CA of residue 46
Atom CA of residue 4
Atom CD2 of residue 6
ASN
Atom CD of residue 63
Atom CA of residue 476
Atom CB of residue 66
GLY
Atom CA of residue 33
Atom CA of residue 71
Atom CA of residue 56
MET
Atom CG1 of residue 125
Atom C of residue 65
LYS
Atom O of residue 71
ASN
Atom CB of residue 39
Atom C of residue 38
PRO
Atom O of residue 24
Atom CA of residue 104
Atom CB of residue 58
Atom CA of residue 53
ASN
Atom O of residue 134
ASN
Atom CA of residue 152
Atom O of residue 38
Atom NH1 of residue 104
Atom OE1 of residue 118
Atom CA of residue 487
ALA
Atom N of residue 67
Atom C of residue 100
ALA
Atom CB of residue 150
Atom CA of residue 47
MET
PRO
GLY
Atom CA of residue 79
Atom CA of residue 19
Atom N of residue 146
Atom CA of residue 513
Atom CA of residue 128
Atom CA of residue 56
GLN
Atom CA of residue 129
TYR
MET
ILE
Atom CB of residue 39
Atom CD1 of residue 4
Atom CA of residue 79
Atom O of residue 77
GLU
Atom CA of residue 80
Atom OE2 of residue 20
Atom O of residue 88
GLU
Atom CA of residue 44
Atom NZ of residue 154
Atom N of residue 26
GLU
Atom O of residue 59
Atom CG of residue 62
Atom O of residue 85
Atom CA of residue 49
CYS
ILE
Atom C of residue 87
SER
Atom CA of residue 106
ASP
Atom CA of residue 90
GLU
PRO
LYS
Atom CG2 of residue 92
LYS
Atom CA of residue 70
Atom CB of residue 104
Atom NE2 of residue 151
Atom CG of residue 58
Atom O of residue 72
Atom CA of residue 573
Atom CA of residue 85
Atom CA of residue 2677
Atom CA of residue 63
Atom CG of residue 66
Atom CA of residue 58
GLU
Atom CG of residue 67
Atom CA of residue 57
GLU
Atom CA of residue 78
Atom CB of residue 134
Atom CA of residue 11
Atom CA of residue 32
Atom CA of residue 26
Atom CA of residue 107
Atom CA of residue 153
Atom CA of residue 151
VAL
Atom CG of residue 149
Atom C of residue 75
Atom CB of residue 24
Atom CD2 of residue 62
PRO
VAL
THR
Atom NE1 of residue 53
P2115
Atom CG of residue 101
Atom CG of residue 54
Atom CB of residue 77
Atom CA of residue 453
Atom CG of residue 100
LYS
Atom CA of residue 52
Atom CG of residue 88
Atom CA of residue 2666
Atom CA of residue 538
Atom CA of residue 85
Atom CG of residue 77
Atom C of residue 115
Atom CA of residue 44
Atom O of residue 65
Atom CB of residue 38
Atom CG of residue 39
ASP
Atom C of residue 145
Atom CA of residue 70
Atom CA of residue 80
Atom CA of residue 509
VAL
Atom CA of residue 133
Atom CB of residue 85
Atom C of residue 79
Atom CA of residue 88
Atom CA of residue 113
GLN
Atom CA of residue 568
Atom C of residue 128
ARG
LEU
Atom CA of residue 20
Atom NH2 of residue 104
Atom CA of residue 61
Atom CB of residue 77
Atom C of residue 140
Atom NE2 of residue 69
LEU
VAL
Atom OE2 of residue 118
LEU
ASP
Atom O of residue 100
Atom CB of residue 116
Atom N of residue 63
GLY
Atom C of residue 107
THR
Atom CA of residue 433
GLY
PRO
Atom CA of residue 473
Atom C of residue 70
Atom CE1 of residue 77
Atom CD1 of residue 97
ARG
ALA
GLN
Atom CA of residue 45
Atom CA of residue 6
Atom CA of residue 148
VAL
Atom CA of residue 55
CYS
Atom CA of residue 155
LYS
Atom CB of residue 59
Atom CA of residue 40
SER
Atom CA of residue 489
Atom CA of residue 108
Atom CA of residue 580
Atom CA of residue 113
LEU
Atom CD1 of residue 134
Atom CA of residue 33
Atom N of residue 21
LEU
LYS
ALA
VAL
LEU
GLY
Atom O of residue 75
Atom CA of residue 474
CYS
Atom CG of residue 24
PHE
Atom N of residue 91
Atom CG of residue 33
Atom CG of residue 77
Model 31
ILE
Atom CG of residue 74
TYR
PRO
Atom C of residue 85
Atom O of residue 62
Atom CG of residue 76
Atom CA of residue 34
Atom CD of residue 99
Atom CD of residue 77
VAL
Atom CA of residue 116
Atom CD of residue 17
Atom CA of residue 72
GLN
Atom CD of residue 149
Atom CA of residue 64
SER
PRO
Atom CA of residue 126
Atom CE of residue 25
Atom CA of residue 119
Atom CD of residue 101
ARG
Atom CA of residue 7
Atom CB of residue 65
Atom OD1 of residue 66
Atom CA of residue 51
VAL
ASP
Atom CD of residue 54
Atom CA of residue 142
Atom CG of residue 102
Atom CD of residue 58
Atom CA of residue 146
Atom OD1 of residue 100
Atom CA of residue 63
Atom ND2 of residue 40
Atom CA of residue 80
LEU
Atom CG1 of residue 116
VAL
LEU
PHE
VAL
Atom CA of residue 4
Atom C of residue 76
ALA
P2116
Atom N of residue 152
Atom CA of residue 95
Atom CA of residue 2654
ALA
PHE
Atom CA of residue 20
GLY
Atom O of residue 140
MET
CAlphaPDBSelector1
Atom N of residue 75
ALA
LEU
Atom C of residue 104
Atom CA of residue 57
Atom CB of residue 100
Atom CA of residue 63
Atom CA of residue 81
Atom O of residue 107
Atom CA of residue 107
Atom CA of residue 514
Atom CA of residue 56
Atom CG2 of residue 4
Atom CG2 of residue 108
Atom ND2 of residue 31
Atom C of residue 46
Atom CD of residue 39
Atom CG1 of residue 38
ALA
THR
GLN
GLN
Atom CZ of residue 17
Atom N of residue 70
Atom CG of residue 85
Atom CA of residue 574
Atom CB of residue 75
Atom CA of residue 453
Atom CG of residue 59
PHE
Atom O of residue 150
Atom C of residue 142
Atom CA of residue 78
Atom N of residue 155
Atom CA of residue 91
Atom OE1 of residue 99
Atom CA of residue 154
Atom CA of residue 58
Atom CA of residue 83
LEU
SER
Atom CE2 of residue 53
Atom CA of residue 68
Atom CA of residue 58
Atom CA of residue 127
Atom CA of residue 458
Atom CA of residue 105
Atom NZ of residue 25
Atom CA of residue 120
PRO
Atom CA of residue 9
Atom CD2 of residue 97
Atom C of residue 51
Atom CA of residue 86
Atom N of residue 91
Atom CA of residue 55
LEU
Atom CA of residue 2678
ALA
Atom CA of residue 62
Atom CB of residue 153
GLY
Atom CA of residue 2667
Atom CA of residue 539
Atom O of residue 85
Atom CA of residue 97
GLN
Atom CA of residue 103
Atom N of residue 41
Atom CA of residue 22
Atom CA of residue 78
Atom CA of residue 45
Atom CA of residue 11
Atom NE of residue 149
Atom C of residue 125
Atom CD2 of residue 134
Atom CB of residue 140
Atom CA of residue 134
ALA
ARG
Atom C of residue 131
GLY
Atom CE of residue 101
Atom CA of residue 55
Atom O of residue 45
Chain A
Atom CA of residue 454
Atom OD1 of residue 33
ARG
ASP
Atom CA of residue 53
CYS
Atom N of residue 59
Atom CA of residue 47
Atom C of residue 63
Atom CA of residue 485
Atom OD1 of residue 102
Atom C of residue 45
Atom CE2 of residue 22
Atom CD of residue 74
P2121
THR
GLU
Atom N of residue 78
Atom CA of residue 38
Atom CA of residue 474
Atom CA of residue 93
Atom C of residue 148
SER
Atom CE of residue 39
Atom N of residue 44
Atom CB of residue 37
Atom CA of residue 114
PHE
SER
Atom CE3 of residue 53
Atom CA of residue 41
LEU
Atom CA of residue 490
Atom CA of residue 41
Atom CD of residue 77
Atom CA of residue 581
Atom C of residue 11
PHE
Atom N of residue 2
TYR
LYS
PRO
Atom CG of residue 64
Atom C of residue 62
Atom CA of residue 58
Atom N of residue 118
Atom N of residue 109
Atom N of residue 32
Atom CA of residue 53
ASP
ALA
Atom O of residue 51
ListSingletonContainer0
Atom CA of residue 55
GLU
ILE
Atom CA of residue 77
Atom O of residue 147
Atom CG of residue 75
LEU
Atom CA of residue 109
Atom O of residue 142
ALA
Atom CA of residue 114
Atom C of residue 103
Atom SD of residue 39
Atom CA of residue 484
Atom N of residue 150
Atom N of residue 98
GLY
LYS
Atom CG1 of residue 34
THR
Atom CG of residue 153
VAL
Atom NE of residue 17
SER
Atom CA of residue 11
TRP
Atom CA of residue 3
Atom CA of residue 59
Atom CA of residue 42
Atom C of residue 97
SER
Atom O of residue 97
Atom C of residue 58
Atom CA of residue 70
Atom CE of residue 74
Atom CG of residue 14
Atom CA of residue 73
Atom C of residue 78
Atom CE1 of residue 134
Atom NZ of residue 39
Atom OE2 of residue 99
Atom O of residue 131
Atom CB of residue 4
ILE
GLN
LEU
Atom CZ of residue 82
Atom CA of residue 130
VAL
SER
TRP
LEU
LEU
CYS
ILE
Atom O of residue 63
ARG
GLU
Atom CG of residue 37
Atom OD2 of residue 102
Atom O of residue 23
Atom CA of residue 106
Atom CA of residue 70
Atom CA of residue 515
Atom O of residue 17
Atom C of residue 38
PRO
LEU
Atom O of residue 148
GLU
Atom CA of residue 454
THR
Atom C of residue 152
VAL
Atom CB of residue 142
LEU
Atom O of residue 62
Atom CA of residue 21
Atom CA of residue 101
Atom CA of residue 23
Atom N of residue 36
Atom CB of residue 51
Atom CA of residue 575
GLY
Atom CA of residue 65
Atom CA of residue 82
Atom CZ of residue 87
Atom CG2 of residue 34
ILE
Atom N of residue 78
Atom C of residue 155
Atom O of residue 103
Atom OD2 of residue 33
/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
Atom CA of residue 92
Atom CA of residue 155
Atom CE of residue 39
Atom CA of residue 108
Atom N of residue 8
Atom CA of residue 53
Atom CD1 of residue 64
Atom CE of residue 39
ILE
PRO
Atom CA of residue 87
Atom CG of residue 92
GLU
Atom CG1 of residue 45
LEU
Atom CA of residue 2679
Atom CA of residue 540
Atom C of residue 147
TYR
Atom CA of residue 84
GLU
Atom CB of residue 68
Atom C of residue 75
Atom N of residue 138
Atom O of residue 58
GLY
Atom CA of residue 35
Atom CG of residue 82
Atom CA of residue 459
Atom NH1 of residue 13
Atom N of residue 45
Atom O of residue 153
Atom O of residue 12
Atom CB of residue 97
Atom CA of residue 455
Atom CA of residue 54
Atom CG of residue 73
Atom CA of residue 91
Atom C of residue 63
Atom CD2 of residue 82
GLU
Atom CA of residue 2668
Atom N of residue 157
Atom O of residue 152
Atom CA of residue 38
Atom CA of residue 96
Atom CA of residue 46
Atom N of residue 143
Atom CA of residue 38
Atom CA of residue 103
PHE
SER
LYS
P2120
ALA
Atom N of residue 152
Atom CA of residue 46
Atom C of residue 45
Atom CA of residue 135
Atom CD of residue 65
LEU
Atom CA of residue 40
GLY
Atom CB of residue 46
Atom CA of residue 42
Atom CA of residue 2634
Atom CD of residue 14
PRO
Atom CG of residue 51
LEU
PHE
Atom CA of residue 115
ARG
Atom CD1 of residue 34
GLU
Atom CE2 of residue 82
Atom CA of residue 78
Atom CB of residue 17
Atom CA of residue 582
PHE
Atom N of residue 24
CYS
MET
Atom C of residue 70
Atom CB of residue 12
Atom CA of residue 475
Atom NE1 of residue 16
Atom CA of residue 94
Atom OH of residue 87
Atom O of residue 44
Atom CA of residue 111
Atom C of residue 52
GLN
Atom CG of residue 66
Atom N of residue 86
MET
Atom CA of residue 42
Atom C of residue 102
Atom C of residue 35
ASN
Atom CA of residue 491
Atom CA of residue 110
Atom CA of residue 19
Atom NH2 of residue 13
Atom CD2 of residue 94
Atom CA of residue 43
CYS
GLU
Atom CA of residue 115
Atom CG of residue 134
Atom CB of residue 118
Atom CD1 of residue 60
Atom CD2 of residue 64
LYS
Chain A
THR
Atom OD1 of residue 37
GLN
MET
HIS
PRO
Atom NH1 of residue 8
Atom O of residue 39
ARG
Atom CD of residue 92
Atom CA of residue 2634
Atom CA of residue 432
Atom C of residue 91
ASN
Atom CA of residue 78
SER
Atom O of residue 37
ILE
Atom C of residue 26
Atom CA of residue 72
Atom CD of residue 32
Atom C of residue 47
Atom CA of residue 102
Atom CG of residue 68
Atom CA of residue 24
Atom C of residue 38
ALA
Atom CB of residue 45
LYS
VAL
GLU
Atom CA of residue 77
Atom O of residue 63
Atom CE1 of residue 82
VAL
Atom CG of residue 39
Atom CZ2 of residue 16
Atom CB of residue 14
Atom N of residue 35
GLN
Atom CA of residue 59
Atom CA of residue 457
PRO
Atom CA of residue 71
Atom CG of residue 46
Atom CB of residue 78
LYS
Atom CA of residue 43
LYS
Atom C of residue 59
Atom N of residue 149
Atom NE2 of residue 53
Atom SD of residue 82
VAL
Atom O of residue 155
LEU
Atom CE of residue 65
LYS
Atom CA of residue 81
Atom O of residue 52
P2113
Atom CA of residue 576
Atom CA of residue 88
Atom N of residue 40
ASP
THR
Atom NZ of residue 146
GLN
GLN
Atom CG of residue 17
LYS
Atom CD of residue 73
Atom O of residue 35
Atom CA of residue 156
Atom CB of residue 63
Atom CA of residue 10
Atom N of residue 88
Atom CA of residue 90
Atom O of residue 70
Atom CA of residue 516
Atom N of residue 97
Atom CA of residue 83
Atom CA of residue 109
Atom C of residue 157
Atom NH2 of residue 8
Atom CG1 of residue 27
LYS
TYR
CYS
LYS
Atom CA of residue 38
LYS
Atom CG of residue 118
Atom CA of residue 541
Atom CZ of residue 8
Atom O of residue 102
Atom CA of residue 2637
Atom CA of residue 93
Atom CB of residue 92
Atom CA of residue 97
Atom CB of residue 10
Atom CB of residue 51
PHE
Atom CA of residue 65
GLU
Atom CA of residue 460
Atom CA of residue 12
Atom CB of residue 37
Atom CA of residue 54
Atom CA of residue 135
Atom CA of residue 54
Atom CB of residue 152
Atom CA of residue 138
Atom OD1 of residue 66
Atom CA of residue 107
Atom CA of residue 20
Atom CD of residue 80
Atom CE of residue 48
Atom CE2 of residue 77
HIS
Atom CA of residue 2680
Atom CE1 of residue 82
GLY
Atom N of residue 95
SER
PRO
Atom CA of residue 2669
PRO
Atom CA of residue 157
Atom CD1 of residue 51
Atom CA of residue 47
Atom C of residue 78
Atom O of residue 26
PRO
Atom N of residue 33
ASP
ARG
Atom CA of residue 477
LYS
GLU
Atom NH2 of residue 147
Atom CA of residue 47
Atom CA of residue 458
Atom CD2 of residue 60
ALA
Atom CG of residue 52
MET
Atom CG of residue 63
Atom CA of residue 152
Atom CA of residue 456
Atom CB of residue 70
Atom CZ3 of residue 16
Atom CA of residue 55
Atom CA of residue 583
Atom CB of residue 155
ILE
ALA
Atom O of residue 46
Atom CG of residue 78
Atom C of residue 90
Atom CB of residue 52
Atom N of residue 156
LEU
Atom CA of residue 25
TYR
Atom CA of residue 88
Atom CA of residue 95
Atom NZ of residue 65
Atom CA of residue 9
Atom CA of residue 16
Atom CE2 of residue 16
Atom CA of residue 44
Atom N of residue 17
Atom CA of residue 89
Atom CA of residue 116
Atom CA of residue 11
Atom CG of residue 77
ALA
Atom CA of residue 43
Atom CE2 of residue 58
TYR
TRP
SER
Atom CZ of residue 77
Atom CA of residue 492
Atom C of residue 68
GLU
ASP
Atom N of residue 74
Atom CE2 of residue 82
LYS
Atom C of residue 54
Atom O of residue 6
Atom C of residue 138
GLY
Atom C of residue 143
Atom NZ of residue 48
ALA
Atom OG1 of residue 51
ILE
Atom CG of residue 70
Atom CB of residue 102
Atom CA of residue 70
Atom CG2 of residue 90
Atom CB of residue 35
Atom CA of residue 111
LYS
GLN
Atom CA of residue 87
ILE
Atom O of residue 59
Atom C of residue 12
Atom CA of residue 103
Atom N of residue 54
Atom N of residue 153
Atom N of residue 11
Atom CA of residue 116
SER
Atom CD1 of residue 36
Atom CA of residue 70
GLU
GLU
Atom CB of residue 61
Atom CG of residue 37
normalize rigid bodies
Atom CG1 of residue 136
Atom CA of residue 98
TRP
ALA
Atom O of residue 97
Atom CA of residue 38
PRO
LEU
Atom CZ of residue 141
GLY
Atom N of residue 81
Atom CD of residue 122
THR
Atom CD of residue 48
Atom CD2 of residue 77
Atom N of residue 113
Atom CA of residue 19
Atom C of residue 157
ARG
Atom CB of residue 26
ASP
Atom O of residue 90
GLY
Atom C of residue 86
Atom N of residue 61
PRO
Atom CA of residue 70
LYS
Atom OD2 of residue 66
Atom CA of residue 577
Atom C of residue 40
Atom O of residue 157
Atom CA of residue 4
Atom CH2 of residue 16
AccumulateRigidBodyDerivatives3
Atom N of residue 78
Atom CG2 of residue 27
Atom N of residue 59
SER
Atom CG of residue 14
Atom CA of residue 6
Atom CA of residue 157
Atom CB of residue 82
Atom CD1 of residue 21
Atom CA of residue 48
Atom SG of residue 52
ALA
Atom CA of residue 517
GLU
Atom CD2 of residue 51
Atom CA of residue 82
Atom CA of residue 108
Atom CA of residue 2638
Atom O of residue 103
Atom CA of residue 136
Atom CA of residue 35
Atom N of residue 91
Atom CD of residue 52
ASP
Atom CD of residue 63
GLY
ARG
SER
Atom CA of residue 17
Atom NZ of residue 101
Atom CG2 of residue 51
Atom CA of residue 50
Atom CA of residue 542
SER
GLN
VAL
Atom C of residue 87
Atom CA of residue 84
PHE
ARG
LYS
Atom CA of residue 94
GLU
UpdateRigidBodyMembers3
SER
Atom CA of residue 76
Atom CA of residue 77
python stream
Atom O of residue 78
Atom CA of residue 95
Atom CA of residue 110
Atom NH2 of residue 61
Atom O of residue 54
GLY
Atom O of residue 138
LEU
LEU
Atom CG of residue 155
Atom CB of residue 59
Atom CD of residue 146
Atom CG of residue 76
Atom CA of residue 2681
Atom N of residue 60
TRP
Atom C of residue 70
Atom CG of residue 23
Atom CA of residue 89
SER
Atom CA of residue 461
P2126
Atom CD of residue 72
VAL
Atom CA of residue 60
LEU
ARG
Atom CA of residue 2629
Atom CA of residue 67
Atom CD1 of residue 136
Atom CA of residue 555
Atom CB of residue 97
PHE
Model 26
LEU
Atom CA of residue 457
Atom C of residue 66
Atom CA of residue 26
THR
Atom CA of residue 56
LEU
GLU
Atom CA of residue 584
Atom CE of residue 48
Atom C of residue 77
Atom CA of residue 2670
Atom CA of residue 146
CoreCloseBipartitePairContainer
PRO
Atom CD2 of residue 21
Atom O of residue 25
SER
Atom CA of residue 82
Atom CD of residue 70
Atom CA of residue 11
Atom O of residue 4
Atom CB of residue 60
ARG
Atom CD2 of residue 36
TRP
Atom N of residue 28
LYS
Atom CA of residue 48
ILE
PRO
Atom NH1 of residue 141
LYS
Atom N of residue 49
Atom CB of residue 157
LEU
LEU
Atom CA of residue 71
Atom CA of residue 117
Atom CA of residue 24
Atom CE1 of residue 58
Atom CA of residue 72
Atom CA of residue 103
Atom N of residue 53
Atom CG of residue 82
Atom SD of residue 36
ALA
THR
Atom CG of residue 49
HIS
Atom CB of residue 103
Atom CA of residue 96
HIS
Atom NE of residue 63
LEU
Atom O of residue 84
Atom CA of residue 112
Atom CD of residue 110
GLN
Atom CA of residue 156
NullModifier2
SER
Atom O of residue 89
PRO
ALA
Atom C of residue 74
LEU
GLU
Atom CA of residue 493
Atom CD of residue 23
Atom CA of residue 112
Atom CB of residue 78
Atom CA of residue 69
Atom C of residue 76
Atom CA of residue 17
Atom CE1 of residue 51
Atom O of residue 122
TYR
Atom CA of residue 478
Atom CA of residue 10
Atom CD of residue 14
Atom CB of residue 4
GLN
VAL
ASP
P2127
Atom CA of residue 117
LEU
SER
Atom CE1 of residue 21
LEU
ASN
Atom CA of residue 39
Atom NE2 of residue 35
VAL
Atom O of residue 40
LEU
GLU
Atom CA of residue 46
Atom OE1 of residue 117
Atom CA of residue 42
ILE
Atom O of residue 70
ILE
Atom CA of residue 104
Atom CA of residue 51
GLY
ProbabilisticAnchorGraph1
ASP
Atom N of residue 73
Atom CD1 of residue 155
Atom C of residue 88
Atom NH2 of residue 141
Atom CA of residue 578
Atom N of residue 137
Atom CG of residue 97
Atom CG1 of residue 142
Atom N of residue 102
Atom CB of residue 25
LEU
ILE
Atom C of residue 27
MET
Atom O of residue 66
Atom CD1 of residue 112
Atom CA of residue 72
NormalizeRotation2
Atom CA of residue 34
Atom CE1 of residue 36
Atom NZ of residue 48
GLN
Atom CA of residue 53
Atom CA of residue 476
Atom CA of residue 62
Atom CA of residue 40
Atom NE of residue 70
GLY
Atom CA of residue 39
Atom CG of residue 60
Atom CA of residue 9
ILE
Atom N of residue 5
Atom SG of residue 138
Atom CZ of residue 58
LYS
Atom CE of residue 36
TYR
PHE
Atom CG of residue 59
THR
Atom CA of residue 543
Atom OE2 of residue 78
ALA
Atom CE of residue 23
Atom C of residue 17
Atom CA of residue 153
Atom CA of residue 36
Atom CD1 of residue 82
ILE
Atom CA of residue 49
GLY
Atom CA of residue 518
Atom CA of residue 91
Atom CB of residue 89
Atom C of residue 19
Atom CG of residue 103
Atom C of residue 49
ILE
Atom CA of residue 85
Atom O of residue 76
Atom C of residue 52
Atom CA of residue 61
Atom CA of residue 111
Atom CG of residue 157
Atom CA of residue 30
Atom CB of residue 110
Atom CA of residue 58
Atom O of residue 74
GLY
Atom C of residue 82
VAL
Atom CA of residue 95
Atom C of residue 38
CYS
Atom N of residue 85
ASP
Atom CA of residue 40
Model 25
Atom O of residue 24
ARG
Atom OD1 of residue 31
Atom CZ of residue 82
Atom CA of residue 38
Atom CA of residue 60
Atom CB of residue 40
LYS
Atom CB of residue 84
Atom CB of residue 121
Atom CA of residue 54
Atom CA of residue 47
HIS
Atom CA of residue 556
Atom CD of residue 49
Atom CA of residue 2635
Atom CA of residue 41
Atom O of residue 3
Atom CA of residue 2682
Atom CA of residue 585
Atom CA of residue 109
Atom CE2 of residue 36
Atom CE1 of residue 64
Atom CA of residue 455
Atom CE2 of residue 51
LEU
Atom O of residue 23
Atom CA of residue 43
Atom CA of residue 143
Atom O of residue 69
Atom O of residue 27
Atom CB of residue 66
Atom CB of residue 134
ALA
Atom CE2 of residue 21
Atom CA of residue 59
PRO
VAL
ALA
TYR
VAL
LEU
Atom CA of residue 458
Atom CA of residue 36
ASN
Atom CE of residue 146
ILE
Atom CA of residue 57
Atom CA of residue 22
Atom N of residue 60
Atom CB of residue 94
Atom CB of residue 153
Atom CD of residue 70
Atom CA of residue 83
PHE
VAL
Atom OD2 of residue 33
Atom CG of residue 78
Atom CA of residue 464
Atom CA of residue 97
Atom N of residue 77
Atom CA of residue 2673
LEU
Atom N of residue 139
Atom C of residue 36
KClosePairsPairScore 0
Atom N of residue 37
Atom CA of residue 27
LYS
GLY
Atom CD2 of residue 155
LYS
Atom CA of residue 494
Atom C of residue 151
Atom CA of residue 118
Atom CG of residue 53
GLY
Atom CA of residue 102
VAL
Atom CA of residue 105
Atom ND2 of residue 31
Atom N of residue 4
GLU
SER
Atom CA of residue 41
Atom CG of residue 110
Atom O of residue 49
LEU
Atom CD1 of residue 60
Atom CA of residue 112
ASP
ALA
Atom CG2 of residue 142
PRO
GLU
Atom CA of residue 2636
Atom O of residue 52
Atom CG of residue 121
Atom N of residue 79
Atom C of residue 67
LYS
TYR
LEU
Atom CG2 of residue 116
Atom CA of residue 73
Atom CB of residue 74
Atom CZ of residue 51
Atom N of residue 83
Atom CB of residue 23
Atom CA of residue 113
Atom O of residue 82
Atom CG of residue 84
Atom CA of residue 62
Atom CA of residue 45
Atom C of residue 54
Atom CA of residue 21
Atom O of residue 38
PRO
THR
ASN
Atom OE1 of residue 49
Atom CE1 of residue 35
Atom CA of residue 71
Atom CA of residue 44
Atom C of residue 60
Atom OG of residue 70
Atom OD1 of residue 19
Atom CA of residue 118
Atom CA of residue 51
Atom CA of residue 579
LYS
Atom O of residue 62
ALA
THR
Atom CA of residue 138
GLN
LEU
GLU
1z5s_A.pdb RigidBodyHierarchy 0
LEU
Atom CA of residue 34
Atom C of residue 137
TRP
Atom CB of residue 69
Atom NZ of residue 76
Atom CB of residue 27
VAL
Atom CD of residue 157
Atom N of residue 57
Atom N of residue 80
Atom CA of residue 2685
ILE
Atom CE2 of residue 103
Atom CG of residue 123
GLU
Atom CA of residue 45
Atom CZ of residue 63
Atom CA of residue 35
Atom CD of residue 78
Atom CG of residue 134
CAlphaPDBSelector2
Atom N of residue 3
Atom O of residue 76
LYS
1z5s_C1.pdb rigid body positions
Atom CA of residue 544
Atom CG of residue 69
ASN
LEU
Atom CG of residue 94
Atom CA of residue 46
Atom CA of residue 4
Atom NE of residue 70
Atom CA of residue 86
Atom CA of residue 63
Atom CA of residue 519
Atom CG of residue 40
VAL
Atom CZ of residue 70
HIS
Atom CB of residue 84
Atom CE3 of residue 103
VAL
Atom CA of residue 110
Atom CA of residue 135
Atom CG of residue 9
Atom CZ of residue 8
Atom CA of residue 31
LEU
ARG
Atom CE2 of residue 64
PRO
Atom OH of residue 51
Atom CG of residue 153
ALA
LEU
ARG
ILE
Atom CD1 of residue 53
Atom C of residue 19
Atom CA of residue 12
MET
Atom CB of residue 52
Atom C of residue 34
Atom CA of residue 90
Atom CA of residue 539
Atom CA of residue 50
GLU
Atom CB of residue 49
ALA
SER
Atom CB of residue 138
Atom N of residue 66
Atom CA of residue 557
Atom CA of residue 112
Atom O of residue 54
PRO
Atom C of residue 2
Atom CA of residue 13
Atom CA of residue 2683
Atom CA of residue 586
Atom CE1 of residue 155
Atom CD1 of residue 116
1z5s_B.pdb
LYS
1z5s_D.pdb
LEU
HIS
LYS
Atom CA of residue 52
Atom CB of residue 62
Atom CE of residue 78
Atom NZ of residue 30
TRP
VAL
Atom O of residue 137
GLY
Atom OD1 of residue 121
Atom CA of residue 456
ASP
ASN
Atom CA of residue 85
MET
Atom CG2 of residue 57
HIS
Atom CA of residue 58
GLU
Atom CB of residue 112
ASP
Atom NH1 of residue 61
LYS
Atom C of residue 46
VAL
Atom CD1 of residue 134
Atom O of residue 127
ARG
Atom CB of residue 8
Atom CE3 of residue 103
Atom CA of residue 84
Atom CA of residue 15
LEU
Atom N of residue 71
Atom CG of residue 104
Atom CE of residue 153
Atom CZ2 of residue 103
Atom NH1 of residue 8
Atom N of residue 151
1z5s_B.pdb
AccumulateRigidBodyDerivatives0
Atom CD of residue 123
Atom N of residue 32
Atom C of residue 58
Atom N of residue 27
Atom CA of residue 108
Atom CA of residue 51
SER
Atom CZ of residue 64
LeavesRefiner2
1z5s_C.pdb rigid body positions
HIS
Atom N of residue 52
Atom CD of residue 69
Atom CD1 of residue 94
PHE
Atom CZ of residue 70
Atom NH1 of residue 63
Atom C of residue 135
LEU
ASN
Atom CA of residue 60
Atom CG of residue 84
ASP
ARG
PRO
VAL
PRO
ARG
Atom CA of residue 6
Atom CG of residue 57
LYS
UpdateRigidBodyMembers0
Atom C of residue 57
Atom CA of residue 80
Atom NZ of residue 76
ALA
Atom CA of residue 2649
Atom CA of residue 495
Atom CD2 of residue 64
Atom CA of residue 114
Atom C of residue 73
Atom CD2 of residue 53
THR
Atom O of residue 19
Atom SD of residue 40
Atom NZ of residue 78
Atom CB of residue 40
Atom CA of residue 462
Atom CA of residue 42
Atom NH1 of residue 70
Atom CA of residue 70
Atom CA of residue 83
LYS
Atom NH2 of residue 61
Atom CA of residue 137
ILE
Atom CA of residue 12
Atom CA of residue 580
Atom CA of residue 2671
Atom CA of residue 45
Atom N of residue 117
GLU
Chain B
GLY
VAL
Atom CD of residue 8
MET
ILE
Atom CA of residue 27
Atom CD of residue 153
GLU
Atom CG of residue 62
Atom C of residue 108
Atom C of residue 124
Atom CA of residue 87
Atom CE2 of residue 155
Atom N of residue 58
PHE
Atom OD1 of residue 33
LYS
PRO
ILE
Atom CG of residue 127
GLU
Atom CA of residue 545
Atom CG2 of residue 71
Atom N of residue 66
Atom CB of residue 73
Atom CA of residue 15
Atom CD of residue 104
Atom NZ of residue 153
Atom O of residue 46
Atom CB of residue 123
Atom CA of residue 2686
GLU
Atom NH2 of residue 63
Atom CA of residue 64
Atom CZ2 of residue 103
Atom CA of residue 106
Atom N of residue 54
Atom CZ3 of residue 103
PRO
THR
Atom N of residue 31
Atom C of residue 156
Atom C of residue 33
Atom O of residue 135
Atom CA of residue 44
THR
Atom CA of residue 52
Atom CA of residue 2651
Atom CA of residue 137
ASP
Atom CA of residue 98
Atom C of residue 60
Atom N of residue 70
TRP
Atom CA of residue 54
GLU
LEU
Atom NH2 of residue 70
Atom C of residue 78
Atom CA of residue 520
Atom CA of residue 14
Atom CA of residue 540
Atom CA of residue 19
VAL
Atom N of residue 40
LEU
Atom CA of residue 558
LEU
Atom O of residue 73
Atom CB of residue 102
Atom CA of residue 46
GLY
Atom CA of residue 53
Atom CE of residue 40
Atom CA of residue 32
Atom CD1 of residue 57
Atom CA of residue 587
Atom C of residue 132
Atom CA of residue 63
1z5s_A.pdb
Atom CA of residue 113
Atom CA of residue 66
Atom CE1 of residue 64
Atom C of residue 23
Atom NE of residue 8
Atom CB of residue 19
Atom CA of residue 34
Atom CA of residue 435
Atom CA of residue 79
Atom CZ of residue 155
Atom CA of residue 29
Atom O of residue 146
Atom CA of residue 521
Atom C of residue 57
P2124
Atom C of residue 83
ALA
Atom CA of residue 38
Atom CA of residue 20
MET
HIS
Atom O of residue 111
Atom CD of residue 84
Atom CA of residue 85
Atom CG of residue 68
Atom CA of residue 2684
Atom O of residue 30
ARG
Atom CA of residue 461
Atom CD1 of residue 24
GLY
Atom CD2 of residue 24
Atom CA of residue 111
Atom CA of residue 15
CYS
Atom CG of residue 99
Atom O of residue 124
PRO
Atom CA of residue 130
Atom CG of residue 73
Atom NE of residue 61
/scratch/nightly-build-21548/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
Atom CA of residue 81
Atom CB of residue 46
Atom CA of residue 50
PHE
Atom CA of residue 59
Atom CD1 of residue 71
Atom NE of residue 104
Atom OD1 of residue 30
Atom CA of residue 50
Atom O of residue 33
THR
Atom CA of residue 66
Atom CA of residue 14
Atom CZ of residue 134
UpdateRigidBodyMembers2
ALA
Atom N of residue 71
MET
MET
GLU
Atom CH2 of residue 103
Atom CA of residue 22
VAL
LEU
Atom C of residue 11
Atom CG of residue 102
Atom O of residue 34
PRO
ARG
VAL
Atom O of residue 156
Atom N of residue 6
Atom CA of residue 96
LEU
Atom CA of residue 496
Atom CG of residue 42
Atom OD1 of residue 127
ILE
Atom CD of residue 153
Atom CA of residue 105
Atom CA of residue 9
Atom CA of residue 133
ALA
CYS
VAL
Atom N of residue 156
GLY
LYS
Atom CA of residue 30
Atom CA of residue 43
Atom N of residue 64
Atom CD2 of residue 57
Atom CA of residue 15
ASN
THR
Atom CD2 of residue 24
ASN
Atom C of residue 153
Atom CE of residue 82
Atom CA of residue 581
Atom CB of residue 126
ILE
Atom CA of residue 512
Atom NZ of residue 65
Atom CA of residue 73
Atom C of residue 85
Atom N of residue 41
Atom O of residue 132
Atom CA of residue 88
LEU
Atom O of residue 60
Atom CD1 of residue 80
GLN
PRO
Atom CD1 of residue 103
Atom CD of residue 76
Atom CA of residue 115
Atom O of residue 78
Atom CA of residue 55
Atom CG of residue 110
GLY
Atom CA of residue 64
Atom CA of residue 91
Atom CD1 of residue 68
Atom O of residue 83
Atom CA of residue 144
Atom N of residue 79
Atom CA of residue 463
Atom CA of residue 459
Atom SG of residue 43
Atom CE1 of residue 24
ASN
Atom CA of residue 546
Atom CB of residue 111
LYS
Atom CG of residue 20
Atom CG of residue 28
Model 1
Atom CB of residue 124
Atom OD2 of residue 30
GLY
GLN
Atom CA of residue 2672
Atom CA of residue 34
Atom CA of residue 2687
Atom OH of residue 134
Atom CA of residue 99
Atom N of residue 94
Atom CA of residue 107
ILE
Atom CD1 of residue 57
THR
UpdateRigidBodyMembers6
LEU
ARG
GLU
LEU
PHE
GLU
Atom CB of residue 33
Atom CA of residue 17
Atom CA of residue 9
GLU
Atom CA of residue 81
Atom CB of residue 30
Chain C
Atom CG of residue 61
Atom N of residue 72
Atom CD of residue 42
PHE
Atom CE2 of residue 64
Atom C of residue 50
Atom CA of residue 139
Atom CA of residue 65
Atom O of residue 156
Atom CA of residue 522
Atom CB of residue 34
Atom CA of residue 521
LYS
Atom CG2 of residue 136
Atom CA of residue 541
Atom CA of residue 2687
Atom C of residue 15
Atom CB of residue 156
Atom O of residue 54
Atom CA of residue 29
Atom N of residue 25
Atom CA of residue 76
Atom N of residue 83
LEU
ALA
Atom CA of residue 559
Atom CD of residue 99
Atom NH2 of residue 54
Atom O of residue 11
Atom CA of residue 36
Atom CA of residue 54
Atom CD of residue 73
Atom O of residue 153
VAL
Atom CA of residue 33
NormalizeRotation1
Atom CA of residue 23
Atom CA of residue 112
ALA
THR
GLY
Atom CA of residue 140
Atom CA of residue 142
Atom CB of residue 60
Atom O of residue 55
Atom CA of residue 513
Atom CD of residue 110
Atom CA of residue 51
LEU
Atom CA of residue 519
GLU
Atom OD1 of residue 102
Atom N of residue 44
SER
ILE
Atom CG of residue 126
VAL
Atom CA of residue 105
TYR
Atom N of residue 31
Atom CD of residue 85
Atom CA of residue 114
Atom C of residue 91
Atom O of residue 29
Atom CA of residue 134
LYS
LEU
Atom CG of residue 111
Atom CA of residue 28
Atom SD of residue 39
GLU
Atom CD2 of residue 68
Atom CA of residue 33
LYS
Atom CB of residue 12
Atom C of residue 40
GLY
Atom CD2 of residue 80
ALA
ALA
LEU
VAL
Atom CA of residue 60
LEU
Atom CA of residue 2653
Atom CA of residue 43
Atom CD of residue 147
Atom N of residue 135
Atom CA of residue 510
LEU
GLY
LEU
LEU
Atom CD2 of residue 103
ALA
ARG
THR
LYS
Chain B
LEU
Atom CB of residue 131
Atom CA of residue 71
Atom N of residue 56
Atom CA of residue 18
Atom ND1 of residue 20
Atom CD of residue 28
ILE
Chain B
Atom CB of residue 156
Atom CA of residue 30
Atom CA of residue 62
GLY
Atom NH1 of residue 17
Atom CA of residue 530
Atom NE2 of residue 117
ALA
Atom CB of residue 85
Atom CD2 of residue 57
Atom CA of residue 44
Atom O of residue 50
Atom C of residue 84
GLN
VAL
1z5s_D.pdb rigid body positions
Atom CA of residue 36
Atom CA of residue 111
HIS
Atom CA of residue 34
Atom CA of residue 31
Atom CA of residue 75
Atom CG of residue 111
Atom CA of residue 64
ALA
GLU
Atom CA of residue 582
Atom CE2 of residue 24
Atom OE1 of residue 99
Atom N of residue 55
Atom CD of residue 61
Atom CA of residue 97
VAL
rigid bodies list
Atom N of residue 140
Atom C of residue 30
GLU
SER
ASP
Atom CA of residue 41
Atom CA of residue 116
ALA
Atom CG of residue 60
Atom CA of residue 433
Atom CA of residue 108
LYS
Atom OE1 of residue 42
Atom CA of residue 143
Atom CA of residue 43
ASP
Atom CG of residue 12
LEU
Atom CB of residue 40
Atom CA of residue 42
Atom O of residue 60
Atom CA of residue 436
Atom CB of residue 29
Atom CA of residue 2
Atom CA of residue 523
Atom CA of residue 547
GLY
Atom C of residue 79
GLY
Atom OE1 of residue 85
LEU
MET
GLY
Atom O of residue 151
Atom CA of residue 460
Atom CA of residue 30
LEU
Atom NH2 of residue 17
ASN
Atom ND1 of residue 35
Atom CE of residue 110
Atom C of residue 105
Atom CA of residue 82
Atom CA of residue 511
Atom CA of residue 53
Atom CA of residue 2630
Atom OG1 of residue 29
Atom CA of residue 480
LYS
Atom NE1 of residue 103
Atom N of residue 125
Atom N of residue 58
Atom C of residue 44
GLY
Atom O of residue 84
1z5s_C1.pdb RigidBodyHierarchy 0
Atom CA of residue 2688
THR
Atom CA of residue 140
Atom CA of residue 66
Atom NE2 of residue 55
Atom CA of residue 520
Atom C of residue 34
Atom C of residue 45
Atom CA of residue 542
Atom C of residue 64
Atom N of residue 29
Atom C of residue 61
Atom CA of residue 83
THR
Atom CA of residue 10
Atom CA of residue 560
Atom CA of residue 94
Atom C of residue 126
Atom NE of residue 8
Atom C of residue 3
Atom CD2 of residue 20
Atom N of residue 157
Atom CA of residue 65
ASP
Atom CA of residue 25
Atom C of residue 62
ASN
Atom C of residue 41
Atom CA of residue 2631
Atom CG of residue 85
GLU
Atom CA of residue 522
Atom N of residue 132
Atom CG of residue 40
ProbabilisticAnchorGraph0
Atom N of residue 139
Atom CB of residue 50
Atom CA of residue 2688
ILE
Atom N of residue 53
GLN
GLN
GLN
Atom CA of residue 55
Atom C of residue 71
LYS
Model 28
MET
Atom CA of residue 43
THR
Atom CA of residue 2
Atom CA of residue 115
PairScore 1
Atom CD of residue 111
THR
Atom N of residue 82
Chain B
Atom CA of residue 31
MET
LYS
THR
ARG
Atom SD of residue 59
ILE
Atom CB of residue 60
GLU
1z5s_A.pdb rigid body positions
LEU
Atom CA of residue 29
Atom CA of residue 24
Atom CA of residue 39
Atom CA of residue 531
Atom OE2 of residue 85
THR
LEU
ASN
Atom N of residue 17
PHE
MET
LEU
LEU
Atom O of residue 64
Atom CA of residue 29
Atom N of residue 40
Atom CA of residue 113
Atom CA of residue 41
PHE
LYS
LEU
Atom CA of residue 92
PHE
Atom CD of residue 65
Atom O of residue 105
Atom CA of residue 157
Atom CA of residue 31
Atom C of residue 57
Atom CA of residue 61
ILE
Atom CA of residue 86
Atom CB of residue 151
Atom O of residue 52
Atom NZ of residue 23
Atom C of residue 66
LEU
Atom O of residue 45
Atom CB of residue 52
Atom CA of residue 132
GLU
GLY
Atom CG1 of residue 136
Atom CA of residue 77
Atom CA of residue 584
Atom CE1 of residue 83
SER
Atom N of residue 124
MET
GLN
Atom CD2 of residue 35
Atom C of residue 32
Atom N of residue 8
LEU
MET
Atom O of residue 45
Atom CA of residue 44
Atom OD1 of residue 85
SER
THR
Atom CA of residue 32
Atom CA of residue 76
GLY
Atom CA of residue 109
Atom CA of residue 31
GLN
Atom OG of residue 50
Atom O of residue 77
Atom CA of residue 93
Atom CA of residue 38
Atom CA of residue 2685
Atom C of residue 29
Atom CA of residue 548
Atom C of residue 33
ALA
Atom CE of residue 14
Atom CB of residue 135
Atom CB of residue 64
Atom CA of residue 131
Atom O of residue 79
Atom CA of residue 86
LYS
Atom CA of residue 117
Atom CA of residue 60
GLN
Atom N of residue 56
Atom C of residue 25
Atom CB of residue 52
Atom OE1 of residue 111
Atom SD of residue 40
Atom C of residue 41
Atom CG2 of residue 29
Atom N of residue 89
Atom CA of residue 52
Atom CE of residue 59
Atom CG of residue 60
TYR
Atom CA of residue 516
GLN
ARG
ALA
Atom CB of residue 45
Atom CA of residue 33
ASP
TYR
Atom CA of residue 23
Atom CA of residue 2689
THR
ARG
LYS
Atom CA of residue 127
Atom O of residue 41
Atom CA of residue 543
Atom N of residue 93
Atom O of residue 71
Atom CA of residue 86
Atom CA of residue 585
Atom CA of residue 2650
Atom CA of residue 40
Atom CA of residue 561
Atom CD1 of residue 4
Atom C of residue 31
PRO
Atom CE of residue 65
Atom CA of residue 83
Atom O of residue 57
Atom CA of residue 481
Atom O of residue 32
LEU
Atom CG of residue 52
Atom CB of residue 45
Atom CG of residue 151
GLU
Atom CA of residue 437
Atom CA of residue 51
Atom CB of residue 77
Atom CA of residue 82
LYS
Atom CA of residue 86
Atom CA of residue 523
MET
PRO
Atom CH2 of residue 103
ASN
Atom CB of residue 79
Atom CD of residue 89
Atom CA of residue 125
Atom CA of residue 156
Atom CG2 of residue 136
Atom O of residue 66
Atom CA of residue 139
Atom CA of residue 8
Atom CB of residue 76
Atom C of residue 146
Atom CA of residue 6
GLN
THR
Atom CA of residue 92
Atom CA of residue 56
RigidCPF
Atom OG1 of residue 135
GLN
Atom CA of residue 114
GLY
Atom N of residue 24
PHE
Atom SG of residue 52
Atom C of residue 93
Atom NZ of residue 39
Atom CA of residue 69
Atom C of residue 94
Atom O of residue 41
SER
Atom CA of residue 569
Atom CD1 of residue 97
Atom CA of residue 5
Atom CB of residue 71
Atom CA of residue 30
Atom CA of residue 69
LEU
Atom CA of residue 61
ASN
LEU
Atom CA of residue 532
Atom CB of residue 41
Atom NZ of residue 14
LEU
Atom CA of residue 44
GLY
ILE
Atom CA of residue 32
GLY
normalize rigid bodies
Atom CA of residue 116
Atom CA of residue 26
ASN
VAL
Atom CA of residue 40
Atom N of residue 51
ASP
ALA
Atom CB of residue 21
Atom CA of residue 54
Atom NE2 of residue 83
Atom CA of residue 73
TYR
PHE
Atom CG1 of residue 112
Atom ND2 of residue 40
Atom CA of residue 140
Atom CD of residue 149
ALA
LYS
Atom CA of residue 62
Atom CB of residue 32
Atom CA of residue 22
Atom CG of residue 47
Atom CA of residue 132
Atom CB of residue 78
Atom CB of residue 37
Atom N of residue 2
Atom CG of residue 79
CYS
Atom CA of residue 4
Atom CB of residue 57
Atom CA of residue 87
Atom CG of residue 65
Atom O of residue 25
LYS
Atom CA of residue 107
LYS
Atom NE2 of residue 139
SER
Atom CA of residue 137
Atom OD2 of residue 102
VAL
Atom CG of residue 147
LEU
GLY
Atom N of residue 104
Atom N of residue 154
ILE
Atom CG of residue 45
ASN
Atom N of residue 20
Atom C of residue 40
LEU
Atom CA of residue 78
Atom CA of residue 467
Atom CG of residue 64
ALA
Atom CA of residue 33
Atom N of residue 10
Atom C of residue 17
Atom OE1 of residue 89
Atom CG1 of residue 71
Atom CD1 of residue 136
Atom O of residue 89
Atom CA of residue 39
P2117
LEU
Atom CA of residue 549
ILE
Atom OG1 of residue 41
Atom CA of residue 498
Atom CA of residue 124
Atom N of residue 141
Atom CA of residue 70
Atom O of residue 31
Atom CA of residue 110
ASN
Atom CD2 of residue 97
Atom CE2 of residue 58
Atom CA of residue 74
Atom CD2 of residue 16
LYS
Atom CA of residue 118
ILE
GLY
Atom CD of residue 52
ASN
Atom CA of residue 586
Atom CA of residue 2686
Atom OG1 of residue 76
Atom N of residue 84
Atom O of residue 138
ILE
Atom N of residue 41
Atom CG of residue 21
ASN
Atom NE of residue 149
ASN
ILE
Atom N of residue 140
Atom CA of residue 21
Atom CA of residue 110
Atom OG of residue 32
Atom CA of residue 23
Atom CB of residue 25
ALA
SER
Atom CA of residue 15
VAL
Atom O of residue 13
Atom O of residue 93
ILE
GLY
LYS
Atom CA of residue 147
Atom CA of residue 544
Atom CG2 of residue 135
Atom N of residue 53
Atom CA of residue 9
VAL
VAL
MET
Atom CA of residue 562
Atom O of residue 94
Atom CG of residue 74
LYS
Atom C of residue 22
Atom CA of residue 2652
Atom CA of residue 438
NormalizeRotation0
MET
ALA
Atom CG of residue 37
Atom CA of residue 482
Atom CA of residue 50
LYS
Atom CA of residue 84
Atom CB of residue 86
Atom CA of residue 24
Atom CD1 of residue 47
Atom CA of residue 2690
Atom CG of residue 36
Atom CG of residue 78
Atom CD2 of residue 83
GLN
Atom CB of residue 31
P2122
Atom CA of residue 453
Atom CA of residue 137
Atom N of residue 53
Atom CA of residue 40
Atom CA of residue 29
ASP
Atom CA of residue 35
GLY
Atom N of residue 15
MET
ARG
ASN
Atom CA of residue 93
Atom O of residue 43
PRO
Atom N of residue 103
Atom CA of residue 93
Atom C of residue 2
Atom CZ of residue 58
Atom CG2 of residue 112
Atom CD of residue 45
Atom CE2 of residue 77
SER
ASP
Atom CZ3 of residue 103
Atom CA of residue 102
P2118
Atom NH2 of residue 8
Atom CG of residue 89
Atom O of residue 40
Atom CA of residue 570
Atom CA of residue 524
Atom N of residue 7
Atom O of residue 13
ALA
Atom O of residue 48
Atom CA of residue 132
Atom C of residue 152
Atom CD of residue 88
AccumulateRigidBodyDerivatives1
PHE
TRP
Atom NE1 of residue 16
GLU
Atom CD of residue 79
ASN
Atom CA of residue 533
Atom CA of residue 42
Atom CD1 of residue 91
Atom CA of residue 59
Atom CA of residue 4
LYS
PRO
Atom O of residue 72
Atom CA of residue 57
GLN
Atom CA of residue 55
Atom CB of residue 138
Atom O of residue 23
Atom O of residue 22
HIS
LEU
Atom CA of residue 41
Atom CA of residue 117
1z5s_A.pdb
Atom CD1 of residue 64
PHE
Atom CB of residue 43
Atom O of residue 36
Atom CA of residue 18
LEU
LYS
Atom CA of residue 138
Atom CA of residue 141
UpdateRigidBodyMembers1
Atom CA of residue 154
PRO
Atom CG of residue 25
Atom CG of residue 97
Atom CB of residue 106
Atom CA of residue 7
LEU
Atom SD of residue 36
Atom C of residue 156
LEU
GLU
Atom OG1 of residue 91
TRP
Atom C of residue 112
Atom CG2 of residue 76
ASP
Atom CA of residue 470
PRO
Atom CA of residue 115
ILE
Atom CA of residue 16
Atom C of residue 141
Atom C of residue 93
Atom O of residue 5
Atom CA of residue 29
Atom OD1 of residue 74
Atom CA of residue 88
Atom CG2 of residue 71
Atom CA of residue 63
Atom N of residue 59
Atom CA of residue 85
Atom CZ of residue 77
Atom CA of residue 32
Atom CE of residue 45
ALA
Atom CD2 of residue 47
Atom CG2 of residue 41
Atom CE1 of residue 83
PRO
Atom CA of residue 135
LEU
LYS
Atom CD of residue 78
Atom OG of residue 31
Atom NE of residue 54
CYS
GLN
Atom N of residue 50
ASN
Atom CB of residue 23
Atom CA of residue 151
Atom CA of residue 550
LYS
ALA
CYS
ILE
Atom CA of residue 74
TRP
Atom CA of residue 20
TYR
Atom CA of residue 3
Atom CD of residue 37
Atom CB of residue 22
Atom CA of residue 499
Atom CA of residue 11
Atom CA of residue 111
Atom CA of residue 133
Atom C of residue 86
ILE
LEU
Atom CD2 of residue 91
Atom CB of residue 48
Atom CB of residue 66
Atom O of residue 152
Atom CB of residue 72
Atom CA of residue 441
Atom CA of residue 131
Atom O of residue 21
Atom CA of residue 103
Atom OE1 of residue 79
LYS
ARG
Atom CA of residue 33
Chain A
VAL
Atom CB of residue 43
Atom N of residue 107
Atom CA of residue 583
Atom CA of residue 37
Atom CA of residue 119
Atom SG of residue 138
Atom CB of residue 36
ALA
Atom CA of residue 140
SER
Atom O of residue 112
LYS
Atom C of residue 44
ASP
Atom CG1 of residue 4
SER
THR
Atom CA of residue 12
Atom CA of residue 563
GLU
Atom C of residue 41
TYR
Atom N of residue 42
Atom CA of residue 439
Atom CA of residue 81
Atom OD2 of residue 127
THR
Atom O of residue 108
PRO
ILE
LEU
Atom CA of residue 511
ALA
Atom CA of residue 48
Atom CA of residue 2691
Atom CD2 of residue 64
Atom CG2 of residue 91
ASP
Atom CA of residue 27
Atom CA of residue 8
VAL
Atom CG1 of residue 148
VAL
Atom CA of residue 34
Atom CG of residue 23
Atom N of residue 27
Atom NZ of residue 45
TYR
Atom CA of residue 75
Atom CA of residue 139
Atom CA of residue 53
Atom ND2 of residue 74
Atom CD1 of residue 71
Atom CA of residue 483
LYS
Atom OD2 of residue 100
Atom OG1 of residue 91
Atom N of residue 22
Atom CG1 of residue 22
PRO
GLN
ARG
Atom CD of residue 11
Atom CB of residue 84
Atom CA of residue 31
Atom CA of residue 571
ALA
Atom CD of residue 25
Atom CA of residue 525
LYS
Atom CE of residue 36
Atom CG of residue 43
Atom CZ of residue 54
ASP
Atom N of residue 76
Atom C of residue 106
ASP
Atom CA of residue 154
GLU
Atom CG of residue 140
Atom CA of residue 534
Atom CD2 of residue 51
Atom CB of residue 8
1z5s_C1.pdb
Atom O of residue 86
Atom CA of residue 454
Atom CA of residue 94
GLN
Atom CA of residue 95
LEU
Atom CA of residue 68
Atom O of residue 44
Atom CG of residue 72
Atom CB of residue 152
Atom CA of residue 58
Atom NE2 of residue 83
GLY
Atom CA of residue 116
LYS
VAL
GLU
VAL
Atom SG of residue 43
Atom N of residue 128
TYR
Atom CG of residue 48
Atom CA of residue 149
Atom CE1 of residue 64
Atom C of residue 81
Atom O of residue 141
Atom CA of residue 142
Atom CA of residue 30
Atom N of residue 32
NormalizeRotation3
Atom CA of residue 3
Atom N of residue 34
Atom C of residue 47
Atom CA of residue 66
Atom CA of residue 27
ALA
PRO
LEU
Atom CA of residue 101
Atom CA of residue 35
Atom CA of residue 118
Atom CG of residue 91
Atom CG of residue 46
ILE
ILE
Atom CA of residue 53
LEU
ASP
Atom CA of residue 140
Atom CG of residue 85
ILE
Atom OE1 of residue 11
Atom CB of residue 108
Atom CA of residue 75
Atom CA of residue 89
Atom CA of residue 72
GLY
GLU
Atom CA of residue 64
Atom OE2 of residue 85
LYS
Atom CG2 of residue 22
Atom CA of residue 442
Atom CA of residue 67
GLN
GLU
Atom N of residue 92
THR
Atom O of residue 56
LYS
Atom CA of residue 471
LEU
Atom OE1 of residue 122
HIS
Atom CD2 of residue 53
Atom CB of residue 87
Atom CG of residue 36
ILE
Atom CA of residue 76
Atom CG of residue 8
Atom CE1 of residue 51
Atom CA of residue 67
Atom CA of residue 551
VAL
CYS
ASN
Atom C of residue 42
Atom CG of residue 84
LEU
Atom CG2 of residue 148
SER
Atom CA of residue 92
Atom CB of residue 127
TRP
PRO
Atom C of residue 66
Atom CE of residue 25
ARG
Atom CA of residue 86
Atom O of residue 106
Atom CA of residue 488
ARG
Atom C of residue 107
Atom CA of residue 13
GLU
Atom CA of residue 67
Atom CB of residue 75
Atom CA of residue 500
VAL
VAL
LYS
GLY
Atom CD of residue 23
THR
GLN
Atom CA of residue 120
PHE
Atom CZ of residue 91
Atom C of residue 70
Atom CA of residue 73
Atom CB of residue 141
Atom N of residue 101
Atom N of residue 6
VAL
Atom CA of residue 18
Atom CA of residue 564
Atom O of residue 43
THR
SER
Atom CA of residue 27
Atom O of residue 47
Atom CA of residue 22
VAL
Atom C of residue 53
TRP
Atom CA of residue 53
Atom ND1 of residue 43
Atom CA of residue 41
Atom OE2 of residue 122
Atom C of residue 97
Atom CA of residue 28
Atom OE2 of residue 79
LYS
Atom CA of residue 66
Atom N of residue 72
Atom OD1 of residue 140
SER
Atom CA of residue 112
Atom CD2 of residue 68
ILE
Atom O of residue 143
Atom OG1 of residue 108
Atom C of residue 99
Atom CA of residue 2689
GLU
Atom NH1 of residue 54
PHE
Atom NE1 of residue 53
LYS
MET
PHE
Atom CA of residue 456
Atom O of residue 93
Atom CA of residue 76
Atom CA of residue 440
SER
Atom N of residue 57
Atom CA of residue 484
PRO
Atom CD of residue 46
Atom CA of residue 46
Atom NZ of residue 25
Atom CA of residue 113
Atom CA of residue 2692
Atom CG1 of residue 26
Atom CA of residue 572
Atom N of residue 20
Atom CA of residue 150
THR
Atom O of residue 107
ARG
Atom CG of residue 87
LYS
Atom CZ of residue 21
1z5s_C.pdb
Atom CA of residue 535
Atom SG of residue 75
Atom CB of residue 106
MET
Atom CG of residue 11
Atom CA of residue 31
Atom CA of residue 136
Atom CA of residue 32
Atom CA of residue 95
Atom CA of residue 71
Atom CA of residue 2
Atom OD1 of residue 85
Atom OH of residue 91
SER
Atom O of residue 44
Atom CZ of residue 87
Atom CA of residue 71
Atom O of residue 42
Atom CA of residue 526
Atom C of residue 18
Atom O of residue 97
Atom CA of residue 104
THR
Atom O of residue 53
Atom CA of residue 443
LEU
Chain A
Atom CA of residue 143
ILE
Atom CE1 of residue 68
Atom CG2 of residue 35
Atom CB of residue 143
LYS
Atom O of residue 91
Atom CE2 of residue 64
Atom CB of residue 38
Atom CA of residue 146
Atom N of residue 86
Atom CA of residue 7
Atom CE of residue 23
Atom O of residue 70
ALA
Atom CA of residue 57
Atom CA of residue 141
Atom CD of residue 84
Atom CA of residue 37
Atom CA of residue 59
GLU
Atom N of residue 45
Atom CA of residue 156
Atom CA of residue 87
Atom NE2 of residue 75
Atom CA of residue 36
Atom CA of residue 89
LEU
Atom CA of residue 75
Atom CG1 of residue 107
Atom CA of residue 32
Atom O of residue 99
GLY
TYR
Atom CA of residue 26
Atom ND2 of residue 140
Atom N of residue 49
Atom C of residue 113
GLY
Atom O of residue 121
Atom CG2 of residue 26
SER
Atom CA of residue 457
Atom CA of residue 28
Atom C of residue 42
Atom CA of residue 14
AccumulateRigidBodyDerivatives11
Atom CA of residue 102
Atom CB of residue 47
Atom N of residue 136
ALA
PRO
PHE
Atom CA of residue 72
Atom OH of residue 21
ALA
Atom CA of residue 552
Atom CB of residue 93
Chain C
GLU
LEU
Atom N of residue 80
ILE
Atom CA of residue 117
Atom CA of residue 1
Atom CA of residue 90
LYS
Atom C of residue 55
Atom CA of residue 65
Atom C of residue 71
Atom CA of residue 554
Atom N of residue 47
Atom CA of residue 79
Atom CB of residue 53
Atom CA of residue 444
LEU
Atom CA of residue 5
Atom CB of residue 146
Atom O of residue 148
GLU
Atom CA of residue 72
Atom CD1 of residue 87
SER
Atom CE2 of residue 16
Atom CA of residue 501
Atom CA of residue 45
GLU
Atom OH of residue 68
Atom CB of residue 44
PRO
Atom OH of residue 87
Atom CG of residue 143
ILE
Atom CZ of residue 64
Atom N of residue 107
Atom CB of residue 42
LYS
ASP
PHE
Atom C of residue 72
Atom N of residue 13
Atom C of residue 73
Atom CZ of residue 149
LEU
Atom C of residue 32
LYS
Atom N of residue 92
Atom CA of residue 113
Atom OD2 of residue 67
Atom CA of residue 39
Atom CA of residue 489
Atom CA of residue 32
Atom CB of residue 121
Atom CD1 of residue 27
Atom O of residue 18
Atom CA of residue 30
Atom CE of residue 146
Atom CA of residue 565
Atom CD2 of residue 43
Atom CB of residue 70
LEU
Atom N of residue 74
LYS
MET
Atom C of residue 89
Atom CA of residue 468
Atom CA of residue 105
Atom CG of residue 38
Atom CA of residue 141
GLU
Atom N of residue 76
Atom CA of residue 443
Atom CA of residue 121
Atom N of residue 119
ARG
LEU
ASP
GLY
Atom N of residue 36
Atom C of residue 123
Atom C of residue 75
VAL
Atom CB of residue 99
PRO
PRO
ALA
Atom CA of residue 67
Atom C of residue 9
ILE
VAL
Atom CA of residue 42
ALA
Atom C of residue 80
ALA
ILE
Atom O of residue 79
Atom CG of residue 53
Atom CA of residue 2693
Atom C of residue 141
LYS
Atom CE1 of residue 43
Atom CA of residue 573
Atom N of residue 26
Atom CA of residue 88
Atom CA of residue 30
Atom NH1 of residue 141
Atom C of residue 72
GLN
Atom CA of residue 2690
ILE
Atom CG1 of residue 109
THR
Atom CA of residue 150
GLU
Atom SG of residue 93
Atom CA of residue 536
Atom CG2 of residue 107
Atom CA of residue 147
Atom CA of residue 86
Atom CB of residue 148
Atom O of residue 8
ARG
Atom CA of residue 485
SER
Atom CA of residue 47
Atom N of residue 68
GLU
ALA
Atom CA of residue 42
ALA
ASN
Atom CD1 of residue 68
Atom CA of residue 527
Atom CA of residue 80
Atom N of residue 28
LYS
Atom OE1 of residue 132
Atom CA of residue 10
Atom CB of residue 20
Atom OG1 of residue 42
Atom OD2 of residue 19
Atom O of residue 9
Atom CA of residue 77
Atom CA of residue 144
Atom N of residue 69
ALA
GLN
Atom N of residue 65
ARG
Atom C of residue 85
Atom CA of residue 96
Atom O of residue 73
Atom C of residue 31
ASN
GLN
LEU
LEU
Atom CA of residue 118
Atom CA of residue 72
Atom CA of residue 88
Atom CA of residue 68
Atom N of residue 48
Atom CG of residue 121
Atom C of residue 113
Atom CA of residue 60
Atom CA of residue 469
Atom CA of residue 118
ASP
Atom C of residue 140
LYS
Atom N of residue 88
Atom CA of residue 151
Atom OG1 of residue 35
MET
Atom O of residue 89
Atom O of residue 80
Atom NH1 of residue 149
Atom CA of residue 555
Atom CD of residue 143
Atom O of residue 75
Atom NZ of residue 23
CYS
VAL
Atom N of residue 7
Atom NH2 of residue 141
Atom CA of residue 26
Atom O of residue 32
LEU
Atom CA of residue 103
ASP
Atom CA of residue 49
PRO
Atom CB of residue 44
GLU
Atom O of residue 38
GLU
Atom CB of residue 79
Atom CD2 of residue 134
python stream
Atom CA of residue 553
SER
TYR
Atom O of residue 141
GLY
Atom CA of residue 80
ARG
LEU
Atom CA of residue 91
Atom O of residue 72
Atom CA of residue 90
THR
LYS
Atom CA of residue 9
Atom CA of residue 445
Atom N of residue 98
CAlphaPDBSelector9
GLY
LYS
Atom CB of residue 9
Atom C of residue 86
Atom CA of residue 118
Atom O of residue 34
Atom CG of residue 20
Atom CA of residue 2657
TYR
GLY
Atom CG of residue 123
LEU
PRO
Atom C of residue 150
Atom CA of residue 136
Atom CA of residue 455
ILE
ASP
Atom CA of residue 81
Atom CB of residue 76
Atom C of residue 118
Atom CA of residue 11
TYR
ALA
Atom N of residue 20
Atom CG of residue 140
Atom CA of residue 78
TYR
Atom CA of residue 490
GLY
Atom CD of residue 53
Atom N of residue 19
ASN
Atom CA of residue 566
LYS
Atom CA of residue 114
Atom CA of residue 6
Atom CG2 of residue 109
Atom CB of residue 73
Atom CA of residue 502
GLN
Atom CG of residue 66
ASN
Atom NH2 of residue 149
LEU
Atom CA of residue 49
Atom O of residue 85
Atom CB of residue 113
Atom C of residue 77
Atom CA of residue 122
PRO
Atom O of residue 140
Atom CD of residue 59
PRO
Atom CA of residue 69
Atom C of residue 40
Atom CB of residue 89
Atom CA of residue 23
Atom CG2 of residue 42
Atom CB of residue 80
Atom CA of residue 31
MET
Atom N of residue 35
Atom CA of residue 119
LYS
GLN
Atom O of residue 57
Atom CA of residue 68
Atom OE2 of residue 132
Atom C of residue 80
GLU
Atom CA of residue 20
1z5s_B.pdb rigid body positions
Atom CA of residue 26
Atom CA of residue 444
Atom N of residue 43
Atom C of residue 26
TRP
Atom CA of residue 74
Atom OE1 of residue 143
Atom N of residue 153
Atom CB of residue 32
Atom CA of residue 574
SER
PRO
Atom CB of residue 147
Atom CB of residue 141
Atom CD of residue 111
Atom ND2 of residue 140
Atom CA of residue 37
Atom CA of residue 2691
Atom CA of residue 21
TYR
Atom CB of residue 72
SER
Atom CZ of residue 141
Atom CG of residue 30
Atom OD1 of residue 121
Atom CE1 of residue 134
Atom CA of residue 537
HIS
Atom NH1 of residue 104
Atom CA of residue 148
MET
Atom O of residue 71
Atom CA of residue 486
Atom CA of residue 19
Atom N of residue 24
LYS
Atom C of residue 26
Atom N of residue 90
Atom CE1 of residue 66
LYS
PHE
LEU
Atom C of residue 88
Atom CA of residue 119
Atom CA of residue 2
Atom CA of residue 48
Atom N of residue 31
Atom CA of residue 38
Atom CD of residue 123
Atom CA of residue 106
PRO
Atom NE2 of residue 43
VAL
Atom O of residue 77
Atom CA of residue 123
Atom CE3 of residue 16
PHE
Atom CD of residue 74
Atom CA of residue 145
Atom O of residue 86
Atom CA of residue 69
Atom C of residue 69
PHE
ALA
Atom CA of residue 79
VAL
Atom C of residue 69
Atom CA of residue 2631
Atom CA of residue 97
VAL
Atom CA of residue 33
ILE
Atom CD1 of residue 109
Atom N of residue 99
Atom CA of residue 73
Atom CD of residue 79
GLY
Atom CA of residue 65
Atom CB of residue 57
LYS
Atom CD of residue 20
Atom CD1 of residue 66
Atom CA of residue 528
Atom OE1 of residue 53
Atom CA of residue 27
Atom CB of residue 85
Atom CA of residue 68
Atom CA of residue 152
Atom OD1 of residue 140
MET
GLU
Atom O of residue 80
Atom N of residue 118
TRP
Atom CA of residue 26
LEU
Atom CA of residue 24
Atom CB of residue 41
Atom O of residue 47
Atom OG of residue 32
SER
ASP
Atom CE of residue 59
Atom OE1 of residue 111
Atom CA of residue 113
LYS
Atom CA of residue 61
Atom CG of residue 80
Atom CA of residue 449
CYS
Atom CA of residue 18
THR
ALA
Atom CA of residue 554
GLY
PRO
GLY
Atom CD of residue 146
Atom NH2 of residue 104
VAL
ARG
ILE
Atom CA of residue 51
Atom CB of residue 24
ASP
Atom CA of residue 2
Atom C of residue 123
Atom CE of residue 74
GLU
Atom CA of residue 45
LYS
Atom CA of residue 3
Atom CA of residue 20
Atom O of residue 26
Atom CG of residue 141
Atom CA of residue 124
Atom N of residue 42
Atom OE1 of residue 118
Atom CA of residue 104
Atom CB of residue 140
VAL
GLU
Atom N of residue 44
Atom CA of residue 5
Atom CA of residue 25
ASP
VAL
Atom CA of residue 27
GLU
Atom CA of residue 55
Atom C of residue 65
ASP
Atom CA of residue 92
ILE
LEU
ASP
ALA
Atom CG2 of residue 95
Atom N of residue 112
Atom CA of residue 12
Atom CA of residue 2629
Atom CA of residue 20
VAL
SER
Atom O of residue 69
LYS
Atom CA of residue 567
Atom CD of residue 30
LEU
Atom CA of residue 2658
Atom CA of residue 503
Atom CG of residue 141
Atom N of residue 133
Atom CB of residue 86
Atom CE2 of residue 134
PRO
GLU
Atom CB of residue 71
PHE
ASP
Atom N of residue 80
Atom CA of residue 50
Atom CA of residue 115
Atom CE2 of residue 66
Atom CA of residue 43
Atom OE2 of residue 143
Atom O of residue 88
Atom C of residue 51
Atom CB of residue 18
Atom CA of residue 557
Atom CD1 of residue 88
Atom CA of residue 29
Atom CG of residue 41
Atom CA of residue 491
TYR
Atom CA of residue 12
Atom OE1 of residue 20
Atom N of residue 97
Atom CD2 of residue 66
Atom CG of residue 124
Atom CA of residue 92
Atom CA of residue 43
Atom N of residue 30
Atom O of residue 91
ASP
Atom N of residue 73
GLN
ASN
Atom CA of residue 69
Atom CA of residue 35
Atom CA of residue 12
Atom CA of residue 137
ARG
HIS
Atom CG of residue 59
Atom OE2 of residue 89
Atom CA of residue 25
Atom CA of residue 75
Atom CG of residue 57
Atom CA of residue 80
PRO
GLY
Atom CA of residue 123
Atom CA of residue 153
Atom CA of residue 575
PHE
LYS
Atom CB of residue 70
Atom NE2 of residue 111
Atom OE2 of residue 118
Atom CA of residue 2632
Atom CA of residue 98
Atom C of residue 8
ARG
Atom CA of residue 108
Atom CA of residue 26
Atom CG of residue 24
ASN
LYS
Atom CA of residue 538
Atom N of residue 105
Atom CA of residue 149
GLN
Atom CA of residue 29
Atom O of residue 65
Atom C of residue 27
Atom CA of residue 35
ILE
Atom O of residue 123
VAL
Atom N of residue 96
LYS
Atom CD2 of residue 155
ASN
Atom N of residue 33
Atom CA of residue 2692
Atom CA of residue 13
Atom CZ of residue 66
PHE
Atom CB of residue 80
Atom CA of residue 146
LEU
Atom CB of residue 114
Atom CA of residue 73
Atom C of residue 51
PRO
Atom C of residue 55
ALA
LYS
Atom CA of residue 487
Atom CZ of residue 147
Atom CE of residue 30
Atom CA of residue 558
ASN
Atom C of residue 29
GLN
Atom CA of residue 25
Atom CA of residue 10
Atom CA of residue 49
Atom CA of residue 7
Atom CG of residue 119
Atom CA of residue 40
Atom OG of residue 71
Atom CA of residue 529
PHE
Atom O of residue 92
Atom NZ of residue 74
Atom CA of residue 152
Atom CA of residue 26
PHE
Atom CB of residue 132
LYS
Atom O of residue 51
Atom CA of residue 441
Atom CG of residue 79
LYS
Atom CA of residue 35
GLY
Atom CD of residue 141
Atom CA of residue 46
PRO
Atom CB of residue 88
PHE
Atom CA of residue 116
Atom CA of residue 154
Atom C of residue 43
Atom CA of residue 74
Atom N of residue 89
Atom CA of residue 67
LEU
ILE
Atom CA of residue 109
Atom CB of residue 65
Atom C of residue 35
Atom CA of residue 62
Atom NE2 of residue 53
ASP
PRO
ARG
Atom CG of residue 86
TYR
Atom CE1 of residue 155
Atom N of residue 144
Atom OG of residue 70
Atom OE2 of residue 54
ASP
GLY
Atom CA of residue 451
Atom CD1 of residue 41
Atom C of residue 153
Atom CD of residue 48
Atom CA of residue 106
Atom CB of residue 26
Atom CA of residue 83
Atom OD1 of residue 124
PRO
Atom N of residue 42
GLY
Atom CA of residue 105
PRO
PRO
LYS
Atom CA of residue 11
P0
Atom CB of residue 123
Atom CE of residue 62
PRO
VAL
Atom CB of residue 103
Atom CA of residue 93
ARG
Atom CB of residue 92
Atom CA of residue 107
Atom CA of residue 108
Atom CA of residue 60
Atom O of residue 68
Atom CG1 of residue 96
Atom N of residue 43
Atom O of residue 29
Atom CA of residue 28
LEU
GLY
Atom CD of residue 39
LEU
Atom C of residue 124
Atom CA of residue 442
Atom CA of residue 568
Atom CA of residue 17
GLU
Atom CA of residue 112
Atom OE2 of residue 49
VAL
Atom CA of residue 24
ILE
Atom N of residue 67
Atom CA of residue 2659
VAL
Atom CG of residue 80
Atom CG of residue 114
Atom O of residue 24
Atom O of residue 104
Atom O of residue 51
Atom CA of residue 39
ALA
VAL
Atom C of residue 74
Atom CA of residue 44
Atom O of residue 35
python stream
Atom CA of residue 68
ASN
Atom CG of residue 132
Atom CA of residue 492
Atom CD1 of residue 119
Atom CA of residue 116
Atom CB of residue 51
Atom CA of residue 37
TYR
PHE
TRP
Atom CA of residue 66
Atom C of residue 143
Atom CA of residue 16
Atom CA of residue 504
Atom CD2 of residue 24
Atom OD1 of residue 86
Atom CA of residue 138
Atom NE of residue 141
Atom CA of residue 15
Atom CA of residue 124
Atom CA of residue 30
Atom O of residue 60
Atom CA of residue 12
Atom CA of residue 576
Atom CA of residue 26
Atom CA of residue 81
THR
GLU
Atom N of residue 27
Atom N of residue 121
Atom NZ of residue 110
PHE
Atom CE1 of residue 91
Atom CA of residue 81
LYS
GLU
Atom N of residue 69
Atom CA of residue 539
PRO
Atom CA of residue 150
Atom C of residue 106
Atom CG of residue 103
Atom CG1 of residue 26
Atom CA of residue 84
PRO
Atom CA of residue 71
Atom C of residue 12
ILE
Atom CB of residue 137
PRO
normalize rigid bodies
Atom C of residue 44
ASP
SER
P2125
Atom CA of residue 134
Atom C of residue 112
Atom CA of residue 3
Atom CA of residue 2693
Atom CA of residue 50
GLU
Atom O of residue 57
Atom N of residue 54
Atom CA of residue 147
Atom C of residue 108
Atom CB of residue 35
LEU
Atom O of residue 137
HIS
Atom N of residue 63
Atom O of residue 124
Atom CB of residue 104
ALA
Atom CA of residue 488
Atom C of residue 86
Atom CA of residue 65
Atom C of residue 60
Atom ND2 of residue 124
CYS
Atom CB of residue 29
Atom CA of residue 516
ARG
Atom CE of residue 39
ARG
Atom CE2 of residue 155
Atom CG of residue 65
Atom CB of residue 44
Atom N of residue 84
Atom CA of residue 50
Atom CE of residue 48
Atom CA of residue 32
Atom CA of residue 27
SER
Atom O of residue 12
LEU
Atom CA of residue 59
Atom C of residue 97
Atom CA of residue 452
Atom OG of residue 7
ASP
Atom CG2 of residue 96
Atom O of residue 74
LEU
Atom CA of residue 40
Atom CD1 of residue 45
1z5s_A.pdb rigid body positions
Atom CG of residue 137
ALA
Atom O of residue 143
HIS
TYR
Atom CA of residue 82
Atom CA of residue 75
Atom O of residue 40
Atom CB of residue 94
Atom CD2 of residue 119
Atom OG1 of residue 51
Atom CA of residue 530
Atom CG of residue 147
Atom CA of residue 156
Atom CG2 of residue 91
Atom CA of residue 47
Atom CA of residue 13
LEU
ASN
ALA
Atom OD2 of residue 86
Atom CB of residue 60
Atom O of residue 129
Atom CA of residue 144
Atom CD1 of residue 80
GLY
Atom CD1 of residue 114
ARG
Atom CA of residue 108
GLU
Atom OE1 of residue 93
Atom CA of residue 33
ARG
Atom CA of residue 13
Atom CA of residue 16
Atom CD of residue 132
ARG
Atom OH of residue 21
Atom CA of residue 121
Atom N of residue 106
Atom C of residue 60
Atom CA of residue 63
AccumulateRigidBodyDerivatives5
Atom CB of residue 40
Atom CG2 of residue 26
Atom C of residue 73
Atom CA of residue 153
LEU
Atom CA of residue 70
Atom CA of residue 5
SER
Atom O of residue 86
Atom O of residue 44
ARG
Atom CG of residue 35
LEU
ILE
LYS
Atom CZ of residue 155
Atom N of residue 111
Atom CE2 of residue 91
Atom CA of residue 569
Atom C of residue 134
ALA
PRO
Atom CA of residue 106
LEU
Atom C of residue 32
Atom CA of residue 37
MET
Atom CA of residue 75
Atom CA of residue 89
Atom C of residue 28
PRO
Atom CB of residue 107
LYS
Atom CD1 of residue 103
Atom N of residue 50
Atom C of residue 68
Atom CB of residue 137
Atom CE2 of residue 24
Atom CB of residue 24
Atom CB of residue 6
Atom CA of residue 94
UpdateRigidBodyMembers5
Atom C of residue 116
Atom N of residue 138
Atom OG1 of residue 42
Atom N of residue 46
Atom CD1 of residue 137
Atom CG of residue 39
Atom NZ of residue 48
Atom CA of residue 40
Atom C of residue 14
TYR
Atom C of residue 30
Atom CG of residue 94
Atom CA of residue 31
Atom CB of residue 57
VAL
Atom SD of residue 62
Atom CG of residue 44
Atom C of residue 101
TRP
Atom CD1 of residue 96
Atom CA of residue 157
Atom CA of residue 65
Atom CA of residue 2660
Atom CB of residue 74
Atom CA of residue 505
ALA
Atom C of residue 36
Atom CB of residue 124
Atom C of residue 4
Atom C of residue 144
HIS
Atom CD2 of residue 80
Atom C of residue 33
Atom CA of residue 2
GLU
TYR
Atom CA of residue 559
Atom C of residue 121
Atom CZ of residue 104
CYS
Atom CG of residue 40
Atom CA of residue 493
Atom N of residue 120
ILE
Atom CA of residue 27
GLY
Atom CA of residue 143
Atom CA of residue 540
Atom CD1 of residue 65
Atom CA of residue 151
Atom N of residue 87
Atom CG2 of residue 45
ALA
ALA
Atom CG of residue 60
Atom CA of residue 56
Atom N of residue 42
Atom CD2 of residue 113
Atom NE2 of residue 111
Atom CA of residue 92
Atom CA of residue 129
Atom O of residue 42
Atom CA of residue 76
Atom CA of residue 125
Atom CD1 of residue 24
SER
Atom CA of residue 117
Atom O of residue 73
Atom CA of residue 29
GLN
Atom CZ of residue 91
GLY
ALA
Atom OE2 of residue 93
ALA
TRP
Atom O of residue 32
Atom CA of residue 54
rigid bodies list
Atom CA of residue 109
PHE
P2128
Atom CA of residue 148
Atom CA of residue 22
Atom C of residue 99
Atom CA of residue 3
Atom CA of residue 149
Atom O of residue 60
LYS
LYS
Atom CB of residue 129
Atom CA of residue 69
Atom CB of residue 86
Atom CB of residue 44
THR
LYS
Model 18
Atom CA of residue 66
Atom CG of residue 21
Atom C of residue 95
Atom CA of residue 63
Atom CA of residue 18
Atom C of residue 89
PRO
Atom O of residue 134
Atom CA of residue 17
LYS
TYR
Atom O of residue 28
Atom CA of residue 24
Atom CA of residue 93
Atom CG of residue 137
Atom CD1 of residue 144
Atom CD2 of residue 41
Atom N of residue 81
Atom CG of residue 24
Atom O of residue 33
Atom CA of residue 84
Atom CG1 of residue 57
Atom CA of residue 489
CYS
PHE
LEU
Atom CA of residue 130
Atom CD2 of residue 137
Atom C of residue 27
Atom O of residue 14
Atom CA of residue 138
SER
Atom O of residue 30
ALA
Atom CD of residue 94
Atom CA of residue 16
LEU
Atom O of residue 48
VAL
Atom CA of residue 71
Atom N of residue 142
Atom CA of residue 51
Atom O of residue 101
Atom CA of residue 34
MET
GLY
Atom N of residue 83
GLN
PairsRestraint 0
Atom O of residue 106
GLN
Atom CB of residue 73
Atom CA of residue 141
Atom CA of residue 48
Atom N of residue 114
Atom CD1 of residue 45
VAL
ILE
Chain A
Atom O of residue 36
Atom NH1 of residue 147
VAL
Atom CA of residue 2
Atom CA of residue 2
Atom CA of residue 76
Atom OH of residue 91
Atom CA of residue 16
Atom CA of residue 154
Atom C of residue 54
Atom O of residue 70
THR
HIS
VAL
Atom O of residue 99
ASN
Atom CA of residue 87
Atom C of residue 22
Atom OE1 of residue 126
Atom C of residue 56
ASP
GLU
Atom O of residue 95
Atom CB of residue 32
LEU
ALA
Atom CB of residue 42
TYR
Atom CE of residue 46
Atom C of residue 20
Atom O of residue 2
Atom CA of residue 30
ARG
Atom C of residue 51
Atom CA of residue 131
Atom CA of residue 570
GLN
Atom CA of residue 107
Atom C of residue 44
Atom N of residue 62
LYS
Atom CB of residue 33
Atom CA of residue 107
Atom OE2 of residue 98
Atom CA of residue 155
PHE
CYS
LYS
Atom N of residue 130
Atom CA of residue 138
Atom NE1 of residue 41
Atom CG of residue 44
Atom C of residue 84
ALA
SER
Atom CB of residue 31
Atom N of residue 112
Atom CA of residue 79
Atom N of residue 141
CYS
Atom CB of residue 28
GLN
GLU
Atom CB of residue 91
ALA
Atom CA of residue 97
Atom CA of residue 2661
VAL
Atom N of residue 137
Atom C of residue 24
1z5s_A.pdb RigidBodyHierarchy 1
GLU
Atom N of residue 14
Atom C of residue 92
Atom N of residue 92
Atom CB of residue 30
Atom CA of residue 81
ILE
LEU
Atom CA of residue 66
Atom CA of residue 133
Atom CA of residue 13
Atom CG2 of residue 90
Atom CB of residue 48
Atom CA of residue 560
Atom CB of residue 101
Atom CA of residue 118
Atom O of residue 27
ILE
GLN
Atom CA of residue 89
THR
HIS
Atom N of residue 94
Atom CA of residue 494
Atom OE1 of residue 94
Atom CA of residue 82
Atom O of residue 54
Atom CD2 of residue 65
ASP
Atom CA of residue 28
PHE
Atom CA of residue 541
Atom CA of residue 506
Atom O of residue 20
Atom CA of residue 152
ILE
Atom C of residue 24
Atom CA of residue 36
LEU
Atom CD of residue 105
Atom CB of residue 36
Atom O of residue 15
LEU
VAL
Atom N of residue 46
Atom CA of residue 93
Atom CD2 of residue 144
SER
Atom CA of residue 126
Atom CB of residue 99
Atom CA of residue 66
TYR
LEU
Atom CA of residue 11
Atom CG of residue 33
Atom N of residue 127
Atom O of residue 82
Atom CD of residue 94
Atom CB of residue 95
Atom CA of residue 61
Atom CA of residue 149
Atom CG of residue 120
UpdateRigidBodyMembers11
Atom CA of residue 31
Atom CA of residue 130
SER
GLY
MET
ILE
ARG
PHE
Atom CA of residue 459
Atom CD1 of residue 63
Atom NZ of residue 46
Atom N of residue 66
GLY
Atom CA of residue 36
Atom CA of residue 13
Atom C of residue 138
Atom CB of residue 70
Atom O of residue 51
Atom CA of residue 42
Atom CA of residue 144
ALA
GLY
Atom O of residue 146
ALA
Atom N of residue 94
Atom CA of residue 76
LYS
VAL
P2119
Atom CA of residue 27
Atom CA of residue 490
Atom CD2 of residue 103
HIS
LEU
Atom CA of residue 67
Atom CG of residue 31
Atom O of residue 22
Atom CG of residue 21
PRO
Atom CG of residue 73
Atom CA of residue 139
LYS
Atom CA of residue 111
Atom CA of residue 14
GLN
Atom CA of residue 72
ASP
ASP
Atom CA of residue 57
ALA
SER
SER
Atom CB of residue 20
ALA
TYR
MET
Atom CA of residue 52
Atom NH1 of residue 17
Atom CG of residue 19
Atom CA of residue 92
Atom CA of residue 133
VAL
Atom C of residue 87
Atom O of residue 147
Atom CA of residue 65
Atom CG of residue 48
Atom CA of residue 132
Atom CA of residue 142
Atom CD1 of residue 44
GLU
TYR
Atom CA of residue 115
Atom CA of residue 77
Atom CA of residue 49
Atom CE1 of residue 137
Atom NE2 of residue 94
Atom CB of residue 53
Atom N of residue 99
ARG
MET
Atom CD2 of residue 38
Atom CA of residue 440
Atom CA of residue 8
Atom CA of residue 35
Atom CE2 of residue 41
Atom N of residue 69
GLN
Atom CA of residue 83
Atom CD2 of residue 6
LYS
Atom CA of residue 62
Atom CB of residue 13
Atom CA of residue 156
Atom CB of residue 82
GLU
Atom CE1 of residue 144
Atom CD2 of residue 63
Atom O of residue 118
Atom CG of residue 99
Atom CA of residue 127
Atom C of residue 42
Atom CA of residue 571
Atom OE1 of residue 94
Atom CA of residue 153
Atom N of residue 101
LEU
Atom OG1 of residue 95
Atom C of residue 61
LEU
MET
Atom CA of residue 26
TYR
GLN
MET
Atom CE2 of residue 137
Atom CG of residue 113
Atom NE1 of residue 103
Atom CG of residue 70
GLU
Atom CA of residue 80
MET
Atom CA of residue 64
GLN
Atom CA of residue 66
PHE
Atom CA of residue 23
Atom CD of residue 128
SER
Atom CB of residue 54
Atom CA of residue 108
VAL
Atom C of residue 130
Atom CA of residue 90
Atom CD of residue 33
Atom CA of residue 77
Atom NH2 of residue 17
Atom CA of residue 15
Atom C of residue 133
Atom OE1 of residue 54
ALA
Atom CD of residue 126
Atom CA of residue 561
Atom CD of residue 46
Atom C of residue 142
Atom CD2 of residue 44
Atom OD1 of residue 73
Atom C of residue 115
LEU
Atom CZ2 of residue 41
Atom C of residue 111
GLU
Atom CA of residue 50
GLU
VAL
Atom CA of residue 47
Atom CA of residue 119
GLN
HIS
Atom CA of residue 542
Atom CA of residue 507
Atom CA of residue 153
ARG
SER
Atom O of residue 87
Atom CE2 of residue 137
Atom CG of residue 53
Atom CA of residue 432
ILE
Atom OD1 of residue 19
Atom CA of residue 112
ALA
Atom N of residue 52
Atom CA of residue 145
Atom CA of residue 74
PRO
Atom C of residue 127
Atom OD1 of residue 31
GLU
Atom CA of residue 495
Atom C of residue 47
TYR
Atom CB of residue 22
TYR
GLU
PHE
Atom CA of residue 29
Atom C of residue 137
Atom N of residue 39
P2120
Atom CA of residue 77
Atom CB of residue 58
Atom O of residue 65
Atom CA of residue 63
TYR
Atom CZ of residue 137
Atom O of residue 79
ILE
Atom C of residue 62
Atom OE1 of residue 78
Atom CB of residue 120
Atom CA of residue 94
GLY
Atom N of residue 64
Atom CA of residue 25
Atom CA of residue 127
PRO
PRO
Atom CA of residue 5
Atom CE2 of residue 21
THR
Atom NE2 of residue 94
ASP
LYS
Atom O of residue 61
ASP
Atom CA of residue 95
PHE
Atom C of residue 82
Atom CD1 of residue 113
Atom CA of residue 497
Atom N of residue 147
ALA
Atom CA of residue 68
Atom C of residue 47
Atom O of residue 115
GLY
Atom CA of residue 460
Atom SG of residue 93
Atom N of residue 129
Atom CG of residue 54
Atom CA of residue 73
Atom CZ of residue 137
Atom CA of residue 441
LEU
LYS
Atom CA of residue 130
Atom N of residue 95
Atom OE1 of residue 33
Atom N of residue 18
Atom O of residue 133
Atom OE2 of residue 54
Atom CA of residue 61
Atom CA of residue 491
ILE
Atom O of residue 6
Atom C of residue 81
CYS
python stream rigid body positions
Atom CA of residue 2633
Atom CA of residue 69
Atom O of residue 127
PHE
ALA
Atom CZ3 of residue 41
ASP
Atom O of residue 47
LYS
Atom CA of residue 144
Atom N of residue 27
Atom CG2 of residue 25
Atom CA of residue 91
ALA
PHE
Atom CE of residue 62
Atom CA of residue 36
Atom CA of residue 145
Atom CA of residue 53
Atom CG of residue 58
Atom CE2 of residue 103
Atom CA of residue 150
Atom CA of residue 80
Atom CB of residue 87
LEU
GLN
Atom CA of residue 75
Atom CA of residue 28
Atom OD2 of residue 19
ILE
ASP
Atom N of residue 37
Atom CA of residue 81
LEU
Atom O of residue 130
Atom CA of residue 572
Atom N of residue 36
P2121
Atom N of residue 45
Atom CG1 of residue 22
Atom CB of residue 79
Atom CA of residue 149
Atom CA of residue 10
MET
Atom CD1 of residue 87
Atom OE1 of residue 145
LEU
Atom O of residue 16
Atom OH of residue 137
Chain A
ASN
Atom CA of residue 51
Atom OD2 of residue 73
ASP
GLN
Atom CA of residue 94
PHE
Atom O of residue 145
Atom CD1 of residue 53
GLU
Atom O of residue 144
Atom CA of residue 80
Atom CA of residue 27
Atom CA of residue 109
PRO
Atom CB of residue 65
GLY
Atom CA of residue 26
THR
Atom O of residue 47
Atom N of residue 116
LYS
GLY
Atom C of residue 149
Atom N of residue 102
Atom CA of residue 134
GLN
Atom CA of residue 67
Atom CA of residue 101
THR
Atom CA of residue 562
Atom CA of residue 91
Atom O of residue 81
Atom CA of residue 52
Atom CA of residue 49
ASN
ARG
Atom CD2 of residue 60
GLU
Atom OE2 of residue 78
LEU
Atom CA of residue 100
Atom OH of residue 137
Atom O of residue 113
Atom CA of residue 2644
Atom N of residue 63
PHE
Atom CA of residue 543
GLU
Atom CB of residue 61
Atom CB of residue 43
Atom CA of residue 154
Atom CA of residue 79
LEU
MET
GLY
Atom CB of residue 130
ARG
Atom CA of residue 20
Atom CE of residue 76
Atom CG2 of residue 87
PairScore 0
Atom CA of residue 120
Atom N of residue 72
Atom C of residue 92
Atom O of residue 80
ASN
Atom C of residue 69
Atom CB of residue 127
Atom CH2 of residue 41
SER
Atom CA of residue 496
LYS
SER
Atom CD1 of residue 120
ILE
Atom N of residue 26
GLY
Atom CB of residue 133
ALA
Atom CD of residue 54
Atom OE2 of residue 145
Atom CA of residue 508
Atom CA of residue 30
Atom CA of residue 587
Atom OH of residue 51
Atom CD2 of residue 63
Atom SD of residue 59
Atom C of residue 80
Atom C of residue 66
ILE
Atom N of residue 74
ARG
GLY
Atom CA of residue 68
Atom CA of residue 33
Atom CA of residue 128
Atom N of residue 82
Atom CB of residue 47
Atom CD2 of residue 21
Atom CA of residue 95
ASP
Atom CD1 of residue 22
Atom CG of residue 79
Atom C of residue 31
Atom O of residue 58
VAL
Atom C of residue 144
Atom CA of residue 95
Atom CA of residue 89
Atom CD2 of residue 87
Atom N of residue 55
TYR
Atom CB of residue 145
Atom CA of residue 48
Atom CB of residue 144
Atom CA of residue 44
PHE
Atom CA of residue 81
Atom CG of residue 32
ILE
Atom CA of residue 114
Atom CA of residue 461
1z5s_B.pdb rigid body positions
Atom NZ of residue 154
Atom CG of residue 65
Atom C of residue 133
Atom CG of residue 16
Atom CA of residue 99
SER
PRO
Atom OG of residue 61
Atom CA of residue 2645
Atom CB of residue 38
ASN
Atom CA of residue 146
Atom O of residue 92
LYS
GLY
Atom OE1 of residue 84
Atom CA of residue 82
Atom CB of residue 131
Atom CA of residue 95
Atom CA of residue 37
Atom CG of residue 40
Atom N of residue 61
Atom C of residue 146
Atom CA of residue 96
Atom CA of residue 492
Atom CA of residue 69
Atom CA of residue 102
Atom N of residue 134
CYS
GLN
Atom CA of residue 2663
Atom CD2 of residue 81
Atom CZ of residue 21
Atom CA of residue 443
Atom CA of residue 133
ALA
Atom N of residue 64
Atom CA of residue 74
Atom CA of residue 76
LEU
Atom NE of residue 54
ASN
Atom O of residue 149
Atom CA of residue 110
Atom CG of residue 43
rigid bodies list
Atom CB of residue 63
GLN
THR
Atom CG of residue 130
THR
GLN
ALA
Atom OE2 of residue 33
Atom CA of residue 54
LEU
Atom CA of residue 28
Atom CG2 of residue 38
PRO
Atom CG1 of residue 87
Atom CA of residue 124
Atom NE1 of residue 41
Atom CA of residue 54
CYS
LEU
Atom CA of residue 573
AccumulateRigidBodyDerivatives10
ALA
Atom O of residue 66
GLY
Atom NZ of residue 101
PRO
Atom CA of residue 45
Atom CD of residue 147
Atom N of residue 79
GLN
Atom CE of residue 59
Atom C of residue 35
Atom CB of residue 80
Atom N of residue 23
Atom CB of residue 27
Atom O of residue 133
Atom CB of residue 92
ASN
Atom CA of residue 71
Atom CA of residue 47
Atom CA of residue 466
Atom C of residue 16
Atom CA of residue 60
Atom O of residue 31
Atom CA of residue 131
PRO
Atom OE1 of residue 126
LYS
Atom C of residue 95
UpdateRigidBodyMembers10
SER
Atom CA of residue 44
GLU
Atom CD2 of residue 120
NullModifier3
THR
Atom CE1 of residue 87
PRO
Atom CA of residue 135
LYS
Atom CA of residue 1
Atom CG of residue 144
Atom CA of residue 563
GLN
Atom CA of residue 134
Atom CG of residue 47
VAL
Atom C of residue 6
SER
Atom CB of residue 19
Atom CB of residue 66
ILE
THR
ASN
Atom CA of residue 157
ARG
Atom O of residue 14
Atom CD of residue 145
Atom CA of residue 92
MET
Atom CD of residue 32
Atom CA of residue 536
PRO
Atom CA of residue 110
ASP
Atom CA of residue 29
Atom CZ of residue 54
Atom CA of residue 544
Atom O of residue 96
Atom CA of residue 155
Atom CE2 of residue 144
Atom OE2 of residue 84
Atom CG1 of residue 125
Atom N of residue 132
Atom CG of residue 38
Atom CA of residue 92
PRO
ARG
Atom CA of residue 549
Atom O of residue 117
Atom CA of residue 101
ASN
PHE
Atom N of residue 155
Atom CG of residue 145
Atom CA of residue 2646
Atom CA of residue 76
Atom O of residue 3
GLY
Atom N of residue 39
LYS
Atom CB of residue 149
CYS
Atom C of residue 45
Atom N of residue 22
Atom CA of residue 121
GLY
Atom CA of residue 545
Atom CB of residue 42
GLY
Atom N of residue 100
Atom CA of residue 509
Atom N of residue 149
Atom N of residue 62
GLN
LEU
Atom ND1 of residue 43
LEU
Atom N of residue 44
SER
Atom CA of residue 63
Atom CG1 of residue 27
Atom CD of residue 21
Atom CG of residue 92
Atom N of residue 25
TYR
Atom CG of residue 63
Atom CA of residue 121
Atom CA of residue 72
Atom CA of residue 84
Atom CA of residue 132
GLY
PRO
Atom O of residue 71
Atom NH1 of residue 70
TYR
Atom C of residue 37
Atom CA of residue 134
Atom CB of residue 14
Atom CA of residue 147
Atom N of residue 82
Atom CA of residue 72
Atom CG of residue 80
Atom C of residue 21
Atom CG of residue 83
Atom C of residue 154
Atom CG of residue 66
Atom CA of residue 31
Atom N of residue 34
Atom C of residue 7
Atom CA of residue 433
Atom N of residue 5
Atom N of residue 60
Atom O of residue 35
VAL
ASP
GLY
Atom CG1 of residue 88
Atom CA of residue 90
Atom CD1 of residue 16
Atom CD of residue 130
Atom CA of residue 6
Atom N of residue 95
Atom CA of residue 132
Atom CA of residue 96
LYS
GLU
HIS
PHE
Atom N of residue 88
Atom CZ of residue 144
ILE
Atom CG of residue 19
THR
ASP
ALA
Atom CB of residue 96
Atom CA of residue 537
GLY
Atom CA of residue 102
GLN
Atom CA of residue 70
Atom CA of residue 28
Atom O of residue 95
Atom O of residue 74
Atom CE2 of residue 41
Atom CA of residue 78
Atom CA of residue 77
Atom CA of residue 462
Atom CA of residue 145
Atom CD of residue 104
LYS
Atom CA of residue 32
MET
Atom N of residue 33
Atom O of residue 45
Atom NE2 of residue 20
SER
HIS
Atom CA of residue 16
LYS
SER
MET
Atom CG2 of residue 125
ALA
Atom CA of residue 74
HIS
Atom CA of residue 38
Atom NE2 of residue 126
LEU
Atom CA of residue 82
Atom CA of residue 44
ILE
Atom CA of residue 493
THR
LYS
Atom CA of residue 2664
Atom CB of residue 20
Atom NH2 of residue 70
LYS
Atom CA of residue 574
HIS
VAL
Atom C of residue 23
Atom CA of residue 64
Atom CD of residue 101
Atom CA of residue 48
VAL
Atom CA of residue 111
PRO
GLY
Atom CG1 of residue 4
Atom CD1 of residue 47
Atom CG of residue 42
Atom CD2 of residue 114
GLU
ASP
Atom O of residue 154
ILE
ILE
Atom CA of residue 442
Atom O of residue 7
Atom CA of residue 94
1z5s_A.pdb
Atom CB of residue 71
Atom C of residue 90
ARG
Atom CA of residue 55
Atom O of residue 86
Atom CA of residue 2639
Atom CD1 of residue 38
LEU
Atom CG2 of residue 27
PHE
Atom CA of residue 20
Atom C of residue 121
Atom CA of residue 38
Atom OE1 of residue 12
THR
Atom CA of residue 15
Atom CA of residue 467
Atom CA of residue 39
ASP
Atom C of residue 74
Atom CA of residue 2643
Atom CA of residue 97
GLU
Atom C of residue 82
Atom OH of residue 144
Atom O of residue 157
Atom N of residue 85
Atom CA of residue 2635
Atom CA of residue 550
Atom CA of residue 40
Atom CA of residue 145
Atom CA of residue 564
Atom CB of residue 58
GLY
Atom CB of residue 45
Atom CE3 of residue 41
Atom CA of residue 103
THR
Atom C of residue 114
Atom CA of residue 79
LYS
Atom CG of residue 9
Atom CA of residue 156
Atom CA of residue 432
ASN
Atom CA of residue 155
PRO
Atom N of residue 22
Atom CD of residue 92
Atom CA of residue 7
Atom N of residue 21
Atom CA of residue 111
GLN
TRP
Atom CA of residue 545
ARG
Atom CD1 of residue 66
Atom C of residue 95
ILE
Atom CB of residue 95
PHE
Atom CB of residue 74
Atom CD2 of residue 16
Atom O of residue 19
Atom CA of residue 14
Atom NE of residue 104
Atom ND1 of residue 83
ILE
ALA
Atom C of residue 92
Atom CA of residue 130
Atom N of residue 106
Atom CA of residue 35
Atom CA of residue 73
Atom N of residue 115
Atom OD2 of residue 73
PRO
SER
Atom CE1 of residue 21
Atom CA of residue 546
Atom CG of residue 20
Atom CG of residue 119
GLU
ASN
Atom CB of residue 7
Atom CD1 of residue 125
ALA
Atom NH1 of residue 54
Atom N of residue 75
Atom CG2 of residue 88
Atom CA of residue 538
Atom CB of residue 81
Atom CA of residue 95
Atom CA of residue 469
PRO
GLU
Atom CA of residue 78
Atom N of residue 71
Atom CA of residue 76
Atom C of residue 96
Atom CB of residue 157
Atom O of residue 74
ASP
Atom CE of residue 101
GLU
Atom CB of residue 16
TYR
Atom CA of residue 150
Atom CG1 of residue 71
Atom CA of residue 51
Atom CG of residue 78
Atom O of residue 82
Atom O of residue 90
Atom CG2 of residue 22
Atom CB of residue 86
Atom CA of residue 434
Atom CA of residue 113
TYR
Atom CZ3 of residue 53
THR
Atom CD1 of residue 9
Atom CA of residue 157
ASN
Atom CA of residue 2642
Atom CA of residue 49
Atom C of residue 94
THR
Atom CA of residue 32
Atom CA of residue 32
Atom CA of residue 56
Atom CA of residue 85
Atom CA of residue 100
Atom O of residue 121
Atom CA of residue 34
LYS
Atom C of residue 43
Atom CA of residue 122
Atom CA of residue 95
VAL
Atom CA of residue 93
PRO
Atom CA of residue 85
Atom CA of residue 97
Atom CA of residue 91
Atom CA of residue 17
MET
Atom O of residue 92
Atom CG of residue 58
Atom O of residue 42
Atom CA of residue 3
Atom CD1 of residue 27
HIS
Atom CD2 of residue 47
GLN
Atom CA of residue 2636
Atom O of residue 42
ARG
Atom CA of residue 464
Atom CG of residue 65
Atom O of residue 114
PRO
Chain A
Atom CA of residue 10
VAL
Atom OE1 of residue 92
PRO
Atom CD2 of residue 83
Atom CA of residue 68
Atom O of residue 95
ALA
Atom CG of residue 74
Atom CA of residue 126
GLY
Atom N of residue 108
Atom NH2 of residue 54
Atom CA of residue 47
Atom CZ of residue 147
ARG
Atom CG of residue 155
Atom CE1 of residue 24
Atom CG of residue 104
Atom CB of residue 74
Atom CA of residue 494
Atom CA of residue 75
Atom CA of residue 71
Atom CB of residue 82
Atom CD1 of residue 119
PRO
ALA
Atom CA of residue 2665
Atom CA of residue 575
Atom C of residue 90
GLY
PRO
Atom CA of residue 33
Atom O of residue 40
Atom CA of residue 123
Atom CA of residue 12
Atom CA of residue 2671
LEU
Atom OE2 of residue 99
Atom C of residue 125
Atom CH2 of residue 53
Atom CA of residue 36
Atom OG1 of residue 95
GLU
Atom CA of residue 21
TYR
LYS
Atom CG of residue 51
Atom CD2 of residue 66
scons: *** Error 1
multifit module unit tests FAILED
Running multifit module unit tests
scons: *** [modules/multifit/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/em2d/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/clustering_of_pdb_models.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/collision_cross_section.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/em_images_conversion.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/optimize_em2d_with_montecarlo.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/examples/fast-test.results.out) > /dev/null
Run example clustering_of_pdb_models.py ... in 18.765s ... ok
Run example collision_cross_section.py ... in 3.085s ... ok
Run example em_images_conversion.py ... ok
Run example optimize_em2d_with_montecarlo.py ... in 22.679s ... ok

----------------------------------------------------------------------
Ran 4 tests in 44.618s

OK
em2d examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/em2d/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em2d --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_align2d.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_clustering_of_models.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_collision_cross_section.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_domino_filters.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_em2d_restraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_fft_operations.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_images_opencv.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_project.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_projection_registration.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_registration_results.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_relative_mover.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_rigid_bodies_image_fit.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_segmentation_routines.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/em2d/test/test_selection_files.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_em2d_standards.py >/scratch/nightly-build-21548/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 15.582s ... ok
Test the calculation of the collision cross section of a complex ... in 3.051s ... ok
Test filtering distances with domino ... ok
Test that an a optimization with em2d restraint is properly built ... in 13.001s ... 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 ... in 1.059s ... ok
Test of TIFFReaderWriter reading ... ok
Test subtracting images ... ok
Test that the variance filter is working ... ok
Test that writing with JPGReaderWriter fails with bad extension ... ok
Test that writing with TIFFReaderWriter fails with bad extension ... ok
Test of JPGReaderWriter writing ... ok
Test of TIFFReaderWriter writing ... ok
Evenly distributed em2d image projections from a PDB file ... in 2.950s ... ok
Test the generation of noisy projections ... in 15.258s ... ok
Generation of random projection from a PDB file with em2d images ... in 2.656s ... ok
Test the registration of 3 subjects from 1gyt.pdb at 0.5 SNR ... in 134.796s ... 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 182.654s ... ok
Test scoring with RigidBodiesImageFitRestraint ... in 26.195s ... ok
Test the diffusion filtering on Nup84 class average ... in 8.382s ... ok
test the do_fill_holes_routine ... ok
test the labeling function ... ok
test the segmentation of particles from negative stained classes ... ok
Test reading selection files ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 40 tests in 409.335s

OK
em2d module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/misc/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/examples/decay.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/examples/fast-test.results.out) > /dev/null
Run example decay.py ... in 1702.793s ... ok

----------------------------------------------------------------------
Ran 1 test in 1702.794s

OK
misc examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/misc/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.misc --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/test_common_endpoint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/test_decay.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/test_lrps.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/test_wlc.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_misc_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/misc/test/fast-test.results.out) > /dev/null
Test common endpoints container ... ok
Test that decay has the right halflife ... ok
Check that LowestRefinedPairScore returns the lowest ... ok
Test that the WormLikeChain values are sane ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 8 tests in 1.481s

OK
misc module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/system/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/system/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.system --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/system/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_system_standards.py >/scratch/nightly-build-21548/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 0.023s

OK
system module unit tests succeeded
In file included from build/include/IMP/isd/GaussianProcessInterpolation.h:14,
                 from modules/isd/src/GaussianProcessInterpolation.cpp:7:
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Linear1DFunction::get_derivative_matrix(const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:228: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:231: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Linear1DFunction::get_second_derivative_vector(unsigned int, unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:254: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:257: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::GeneralizedGuinierPorodFunction::get_derivative_matrix(const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:591: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:594: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::GeneralizedGuinierPorodFunction::get_second_derivative_vector(unsigned int, unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:839: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:842: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/GaussianProcessInterpolation.h:15,
                 from modules/isd/src/GaussianProcessInterpolation.cpp:7:
build/include/IMP/isd/bivariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Covariance1DFunction::get_derivative_matrix(unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/bivariate_functions.h:364: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/bivariate_functions.h:367: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/bivariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Covariance1DFunction::get_second_derivative_matrix(unsigned int, unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/bivariate_functions.h:436: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/bivariate_functions.h:439: warning: comparison between signed and unsigned integer expressions
modules/isd/src/GaussianProcessInterpolation.cpp: In member function 'IMP::Floats IMP::isd::GaussianProcessInterpolation::get_posterior_covariance_derivative(IMP::Floats, bool) const':
modules/isd/src/GaussianProcessInterpolation.cpp:253: warning: comparison between signed and unsigned integer expressions
modules/isd/src/GaussianProcessInterpolation.cpp: In member function 'IMP::FloatsList IMP::isd::GaussianProcessInterpolation::get_posterior_covariance_hessian(IMP::Floats, bool) const':
modules/isd/src/GaussianProcessInterpolation.cpp:402: warning: comparison between signed and unsigned integer expressions
modules/isd/src/GaussianProcessInterpolation.cpp:404: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/GaussianProcessInterpolation.h:14,
                 from build/include/IMP/isd/GaussianProcessInterpolationRestraint.h:15,
                 from modules/isd/src/GaussianProcessInterpolationRestraint.cpp:7:
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Linear1DFunction::get_derivative_matrix(const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:228: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:231: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Linear1DFunction::get_second_derivative_vector(unsigned int, unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:254: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:257: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::GeneralizedGuinierPorodFunction::get_derivative_matrix(const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:591: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:594: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::GeneralizedGuinierPorodFunction::get_second_derivative_vector(unsigned int, unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/univariate_functions.h:839: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/univariate_functions.h:842: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/GaussianProcessInterpolation.h:15,
                 from build/include/IMP/isd/GaussianProcessInterpolationRestraint.h:15,
                 from modules/isd/src/GaussianProcessInterpolationRestraint.cpp:7:
build/include/IMP/isd/bivariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Covariance1DFunction::get_derivative_matrix(unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/bivariate_functions.h:364: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/bivariate_functions.h:367: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/bivariate_functions.h: In member function 'virtual IMP::FloatsList IMP::isd::Covariance1DFunction::get_second_derivative_matrix(unsigned int, unsigned int, const IMP::FloatsList&, bool) const':
build/include/IMP/isd/bivariate_functions.h:436: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/bivariate_functions.h:439: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/MultivariateFNormalSufficient.h:20,
                 from build/include/IMP/isd/GaussianProcessInterpolationRestraint.h:16,
                 from modules/isd/src/GaussianProcessInterpolationRestraint.cpp:7:
build/include/IMP/isd/internal/cg_eigen.h: In member function 'void IMP::isd::internal::ConjugateGradientEigen::set_A(const Eigen::MatrixXd&)':
build/include/IMP/isd/internal/cg_eigen.h:48: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h: In member function 'Eigen::MatrixXd IMP::isd::internal::ConjugateGradientEigen::optimize(const Eigen::MatrixXd&, unsigned int)':
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
modules/isd/src/GaussianProcessInterpolationRestraint.cpp: In member function 'IMP::FloatsList IMP::isd::GaussianProcessInterpolationRestraint::get_hessian(bool) const':
modules/isd/src/GaussianProcessInterpolationRestraint.cpp:274: warning: comparison between signed and unsigned integer expressions
modules/isd/src/GaussianProcessInterpolationRestraint.cpp:276: warning: comparison between signed and unsigned integer expressions
modules/isd/src/MolecularDynamics.cpp: In member function 'virtual void IMP::isd::MolecularDynamics::assign_velocities(IMP::Float)':
modules/isd/src/MolecularDynamics.cpp:188: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_cached_rho' may be used uninitialized in this function
modules/isd/src/MolecularDynamics.cpp:188: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_r1' may be used uninitialized in this function
In file included from build/include/IMP/isd/MultivariateFNormalSufficient.h:20,
                 from modules/isd/src/MultivariateFNormalSufficient.cpp:7:
build/include/IMP/isd/internal/cg_eigen.h: In member function 'void IMP::isd::internal::ConjugateGradientEigen::set_A(const Eigen::MatrixXd&)':
build/include/IMP/isd/internal/cg_eigen.h:48: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h: In member function 'Eigen::MatrixXd IMP::isd::internal::ConjugateGradientEigen::optimize(const Eigen::MatrixXd&, unsigned int)':
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
/scratch/nightly-build-21548/imp-SVN.r14111/build/swig/IMP_isd.i:120: Warning(303): %extend defined for an undeclared class IMP::isd::GaussianProcessInterpolationSparse.
/scratch/nightly-build-21548/imp-SVN.r14111/build/swig/IMP_isd.i:122: Warning(303): %extend defined for an undeclared class IMP::isd::GaussianProcessInterpolationRestraintSparse.
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-21548/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/isd/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/harmonic/demux_trajs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/harmonic/harmonic.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/harmonic/shared_functions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/ubiquitin/demux_trajs.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/ubiquitin/replica_exchange.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/ubiquitin/shared_functions.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/examples/fast-test.results.out) > /dev/null
Run example demux_trajs.py ... ok
Run example harmonic.py ... This example needs the Python Pyro module
in 1.338s ... 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 1.443s

OK
isd examples succeeded
In file included from modules/isd/test/test_ConjugateGradientEigen.cpp:6:
build/include/IMP/isd/internal/cg_eigen.h: In member function 'void IMP::isd::internal::ConjugateGradientEigen::set_A(const Eigen::MatrixXd&)':
build/include/IMP/isd/internal/cg_eigen.h:48: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h: In member function 'Eigen::MatrixXd IMP::isd::internal::ConjugateGradientEigen::optimize(const Eigen::MatrixXd&, unsigned int)':
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/MultivariateFNormalSufficient.h:20,
                 from modules/isd/test/test_MultivariateFNormalSufficient.cpp:8:
build/include/IMP/isd/internal/cg_eigen.h: In member function 'void IMP::isd::internal::ConjugateGradientEigen::set_A(const Eigen::MatrixXd&)':
build/include/IMP/isd/internal/cg_eigen.h:48: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h: In member function 'Eigen::MatrixXd IMP::isd::internal::ConjugateGradientEigen::optimize(const Eigen::MatrixXd&, unsigned int)':
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/MultivariateFNormalSufficient.h:20,
                 from modules/isd/test/test_MultivariateFNormalSufficientCG.cpp:8:
build/include/IMP/isd/internal/cg_eigen.h: In member function 'void IMP::isd::internal::ConjugateGradientEigen::set_A(const Eigen::MatrixXd&)':
build/include/IMP/isd/internal/cg_eigen.h:48: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h: In member function 'Eigen::MatrixXd IMP::isd::internal::ConjugateGradientEigen::optimize(const Eigen::MatrixXd&, unsigned int)':
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
In file included from build/include/IMP/isd/MultivariateFNormalSufficient.h:20,
                 from modules/isd/test/test_MultivariateFNormalSufficientSparse.cpp:8:
build/include/IMP/isd/internal/cg_eigen.h: In member function 'void IMP::isd::internal::ConjugateGradientEigen::set_A(const Eigen::MatrixXd&)':
build/include/IMP/isd/internal/cg_eigen.h:48: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h: In member function 'Eigen::MatrixXd IMP::isd::internal::ConjugateGradientEigen::optimize(const Eigen::MatrixXd&, unsigned int)':
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
build/include/IMP/isd/internal/cg_eigen.h:109: warning: comparison between signed and unsigned integer expressions
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/isd/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.isd --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_AmbiguousNOERestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Covariance1DFunction.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_FNormal.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolation.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumerically.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumerically.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintSparse.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationSparse.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GeneralizedGuinierPorodFunction.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_HybridMonteCarlo.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_JeffreysRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Linear1DFunction.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_LognormalRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalHBondRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsMover.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsNuisance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsXYZ.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_NOERestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Nuisance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_NuisanceRangeModifier.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Replica.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_RepulsiveDistancePairScore.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Scale.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_SlidingPriorRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Switching.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_TALOSRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_TBLReader.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_TuneRex.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_communication.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_vonMises.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_vonMisesKappaConjugateRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_vonMisesKappaJeffreysRestraint.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_vonMisesSufficient.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/isd_cpp_test_programs.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_isd_standards.py >/scratch/nightly-build-21548/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) ... in 1.246s ... 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) ... in 1.321s ... ok
testHessianNumericGRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericGSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.204s ... ok
testHessianNumericGTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.252s ... ok
testHessianNumericLambdaLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.038s ... ok
testHessianNumericLambdaRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgG (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.399s ... ok
testHessianNumericRgRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.148s ... ok
testHessianNumericRgSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.196s ... ok
testHessianNumericRgTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.224s ... ok
testHessianNumericSigmaLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.381s ... ok
testHessianNumericSigmaSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericSigmaTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.160s ... ok
testHessianNumericTauLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.375s ... ok
testHessianNumericTauTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... in 1.249s ... 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) ... FAIL
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple21) ... ok
testdx (_test_14.TestGaussianRestraintSimple21) ... ok
testE (_test_14.TestGaussianRestraintSimple22) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple22) ... ok
testdx (_test_14.TestGaussianRestraintSimple22) ... ok
testE (_test_14.TestGaussianRestraintSimple23) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple23) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple23) ... ok
testE (_test_14.TestGaussianRestraintSimple3) ... ok
testFail (_test_14.TestGaussianRestraintSimple3) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple3) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple3) ... ok
testdx (_test_14.TestGaussianRestraintSimple3) ... ok
testAddToParticleDerivative (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivMult (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericA (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericG (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericRg (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumerics (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivOne (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testGetDerivativeMatrix (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericA (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGG (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGRg (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGs (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgG (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgRg (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgs (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericdd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericds (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericss (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testValue (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testValues (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
test_has_changed (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
test ensemble averages ... FAIL
in 9.317s ... test ensemble averages against the standard Monte Carlo ... FAIL
in 12.088s ... 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 5.394s ... ok
test_get_metropolis (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_replicanums (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_statenums (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_steps (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_temps (_test_29.TestReplicaExchange) ... ok
test_sort_errors (_test_29.TestReplicaExchange) ... ok
test_sort_per_replica (_test_29.TestReplicaExchange) ... ok
test_sort_per_state (_test_29.TestReplicaExchange) ... ok
test_sort_sanity (_test_29.TestReplicaExchange) ... ok
tests if derivative is -2*(d-x0)**3 ... ok
tests if energy is a repulsive quadric with zero at van der waals ... ok
tests get and set (sanity checks) ... ok
tests get and set (border check) ... ok
test that a Nuisance can be converted to a Scale ... ok
set returns nothing ... ok
test_Setup1 (_test_31.TestScaleParam) ... ERROR
test_Setup2 (_test_31.TestScaleParam) ... ok
a parameter cannot take other things than numbers as input ... ok
test setting/getting derivative ... ok
testContainers (_test_32.TestSlidingPriorRestraint) ... ok
test the derivative of the restraint ... ok
raise ValueError if out of bounds ... ok
raise ValueError if out of bounds ... ok
testParticles (_test_32.TestSlidingPriorRestraint) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test score ... ok
test probability ... ok
tests get and set (sanity checks) ... ok
tests get and set (border check) ... ok
test that a Nuisance can be converted to a Switching ... ok
set returns nothing ... ok
test_Setup1 (_test_33.TestSwitchingParam) ... ok
test_Setup2 (_test_33.TestSwitchingParam) ... ok
a parameter cannot take other things than numbers as input ... ok
test that a Switching can be converted to a Nuisance ... ok
test setting/getting derivative ... ok
test different constructors ... ok
test different constructors ... ok
test different constructors ... ok
test get_input_containers ... ok
perform a small CG on kappa to find the mode. For N=10 cos(chi)=1 and ... ERROR
test get_input_particles ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test derivatives for the angle using a small CG minimization ... ok
test derivatives for kappa by varying kappa ... ok
test derivatives for kappa by varying the angle ... ok
test energy of the restraint by varying p3 ... ok
test energy of the restraint by varying kappa ... ok
test whether the reader can read nonambiguous TBL files ... ERROR
test_flux (_test_36.TestTuneRex) ... skipped 'test requires the rpy2 module'
test_repnums (_test_36.TestTuneRex) ... skipped 'test requires the rpy2 module'
test if grid can do simple tasks ... skipped 'grid tests require specific machine setup'
test__setup_mc (_test_38.testSharedFunctions) ... ERROR
test__setup_mc_restraints (_test_38.testSharedFunctions) ... expected failure
test__setup_md_mover (_test_38.testSharedFunctions) ... ERROR
in 8.206s ... test__setup_normal_mover (_test_38.testSharedFunctions) ... ERROR
test_find_atom (_test_38.testSharedFunctions) ... FAIL
in 7.909s ... test_hello (_test_38.testSharedFunctions) ... ok
test_init_model_Jeffreys (_test_38.testSharedFunctions) ... ERROR
test_init_model_NOE_restraint (_test_38.testSharedFunctions) ... in 8.004s ... ok
test_init_model_NOEs (_test_38.testSharedFunctions) ... ERROR
in 7.773s ... test_init_model__setup_md_NVE (_test_38.testSharedFunctions) ... in 7.866s ... ok
test_init_model__setup_md_berendsen (_test_38.testSharedFunctions) ... FAIL
in 7.917s ... test_init_model__setup_md_langevin (_test_38.testSharedFunctions) ... FAIL
in 7.875s ... test_init_model__setup_md_rescale (_test_38.testSharedFunctions) ... ERROR
in 7.906s ... test_init_model__setup_md_restraints (_test_38.testSharedFunctions) ... ERROR
in 7.911s ... test_init_model_ambiguous_NOE_restraint (_test_38.testSharedFunctions) ... expected failure
in 7.851s ... test_init_model_base (_test_38.testSharedFunctions) ... ERROR
rudimentary test of things ... ERROR
in 7.792s ... test_init_model_setup_scale (_test_38.testSharedFunctions) ... ERROR
test_init_model_standard_SAXS_restraint (_test_38.testSharedFunctions) ... ERROR
in 11.740s ... test_m (_test_38.testSharedFunctions) ... expected failure
test_set_checklevel (_test_38.testSharedFunctions) ... expected failure
test_set_loglevel (_test_38.testSharedFunctions) ... expected failure
tests vonMises.density ... ok
tests vonMises.evaluate ... ok
tests vonMises.evaluate_derivative_kappa ... ok
tests vonMises.evaluate_derivative_mu ... ok
tests vonMises.evaluate_derivative_x ... ok
testContainers (_test_40.TestvonMisesKappaConjugateRestraint) ... ok
test the derivative of the restraint by changing kappa ... in 4.456s ... ok
raise ModelException if negative ... ok
raise ValueError if negative ... ok
raise ValueError if zero ... ok
raise ValueError if zero ... ok
testParticles (_test_40.TestvonMisesKappaConjugateRestraint) ... ok
raise ModelException if R0 < 0 ... ok
raise ModelException if R0 > c ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test energy by changing kappa ... in 2.254s ... ok
test energy by changing R0 ... in 2.266s ... ok
test energy by changing c ... in 2.267s ... ok
test probability by changing kappa ... ok
test probability by changing R0 ... ok
test probability by changing c ... ok
raise ModelException if c < 0 ... ok
testContainers (_test_41.TestvonMisesKappaJeffreysRestraint) ... ok
test the derivative of the restraint ... in 4.457s ... ok
raise ValueError if negative ... ok
raise ValueError if negative ... ok
raise ValueError if zero ... ok
raise ValueError if zero ... ok
testParticles (_test_41.TestvonMisesKappaJeffreysRestraint) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test if score is log(scale) ... ok
test probability ... ok
test alternative constructor ... ok
tests vonMisesSufficient.density ... ok
tests vonMisesSufficient.evaluate ... ok
tests vonMisesSufficient.evaluate_derivative_kappa ... ok
tests vonMisesSufficient.evaluate_derivative_x ... ok
tests the sufficient statistics ... ok
tests vonMisesSufficient.density ... ok
tests vonMisesSufficient.evaluate ... ok
tests vonMisesSufficient.evaluate_derivative_kappa ... ok
tests vonMisesSufficient.evaluate_derivative_x ... ok
Running C++ test isdtest_ConjugateGradientEigen ... ok
Running C++ test isdtest_MultivariateFNormalSufficient ...  passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
ok
Running C++ test isdtest_MultivariateFNormalSufficientCG ...  passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
ok
Running C++ test isdtest_MultivariateFNormalSufficientSparse ... ok
Test that module class names follow the standards ... FAIL
Test that module function names follow the standards ... FAIL
in 1.405s ... Test all objects have show ... ok
Test that module classes are either values or objects ... FAIL

======================================================================
ERROR: testCovDerivNumericLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericSigma (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericLambdaLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericSigmaLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericSigmaSigma (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericSigmaTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericG (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGG (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericLambdaLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericRgLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericRgRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericRgTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianSymmetry (_test_9.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumerically.py", line 527, in testHessianSymmetry
    self.assertEqual(linalg.matrix_rank(Hessian), np)
AttributeError: 'module' object has no attribute 'matrix_rank'

======================================================================
ERROR: testDerivNumericLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericSigma (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericLambdaLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericSigmaLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericSigmaSigma (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericSigmaTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericG (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGG (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericLambdaLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericLambdaRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgG (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testContainers (_test_20.TestMaintainScaleOrderConstraint)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: tests if randomly shuffled scales are nicely sorted after that
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: tests if randomly shuffled scales are nicely sorted after that. Also
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: testParticles (_test_20.TestMaintainScaleOrderConstraint)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test gamma hat on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 151, in testValueGammaHat
    self.assertAlmostEqual(self.noe.get_gammahat(),
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 1923, in 
    __getattr__ = lambda self, name: _swig_getattr(self, MarginalNOERestraint, name)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 54, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_gammahat

======================================================================
ERROR: test_Setup1 (_test_31.TestScaleParam)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_Scale.py", line 27, in test_Setup1
    self.assertTrue(math.isinf(si.get_upper()))
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 425, in get_upper
    return _IMP_isd.Nuisance_get_upper(self)
UsageException: Usage check failure: Can't get attribute that is not there


======================================================================
ERROR: perform a small CG on kappa to find the mode. For N=10 cos(chi)=1 and
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_TALOSRestraint.py", line 241, in testModeKappa
    cg.optimize(100)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/__init__.py", line 2827, in optimize
    return _IMP.Optimizer_optimize(self, *args)
UsageException: Usage check failure: Can't get attribute that is not there
Context: ConjugateGradients::optimize/ConjugateGradients::do_optimize


======================================================================
ERROR: test whether the reader can read nonambiguous TBL files
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_TBLReader.py", line 43, in test_nonambiguous
    self.assertAlmostEqual(res[1][1], 4.65, delta=1e-7)
IndexError: list index out of range

======================================================================
ERROR: test__setup_mc (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 254, in test__setup_mc
    nm = self.sfo._setup_normal_mover(p0, IMP.FloatKey("scale"), 0.1)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 739, in _setup_normal_mover
    IMP.FloatKeys([floatkey]),stepsize)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/core/__init__.py", line 4752, in __init__
    this = _IMP_core.new_NormalMover(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'new_NormalMover'.
  Possible C/C++ prototypes are:
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::FloatKeys const &,IMP::Float)
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::Float)


======================================================================
ERROR: test__setup_md_mover (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 246, in test__setup_md_mover
    100.0, n_md_steps = 50)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 752, in _setup_md_mover
    return IMP.atom.MDMover(cont, md, temperature, n_md_steps)
AttributeError: 'module' object has no attribute 'MDMover'

======================================================================
ERROR: test__setup_normal_mover (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 234, in test__setup_normal_mover
    nm = self.sfo._setup_normal_mover(p0, IMP.FloatKey("scale"), 0.1)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 739, in _setup_normal_mover
    IMP.FloatKeys([floatkey]),stepsize)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/core/__init__.py", line 4752, in __init__
    this = _IMP_core.new_NormalMover(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'new_NormalMover'.
  Possible C/C++ prototypes are:
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::FloatKeys const &,IMP::Float)
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::Float)


======================================================================
ERROR: test_init_model_Jeffreys (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 73, in test_init_model_Jeffreys
    s=self.sfo.init_model_setup_scale(3.0,1.0,5.0)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 314, in init_model_setup_scale
    scale = IMP.isd.Scale.setup_particle(IMP.Particle(m),default,lower,upper)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test_init_model_NOEs (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 126, in test_init_model_NOEs
    tblfile, name='test')
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 456, in init_model_NOEs
    sigma=self.init_model_setup_scale(*bounds_sigma)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 314, in init_model_setup_scale
    scale = IMP.isd.Scale.setup_particle(IMP.Particle(m),default,lower,upper)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test_init_model__setup_md_rescale (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 223, in test_init_model__setup_md_rescale
    self.assertEqual(os.get_skip_steps(), 0)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 4225, in 
    __getattr__ = lambda self, name: _swig_getattr(self, VelocityScalingOptimizerState, name)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 54, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_skip_steps

======================================================================
ERROR: test_init_model__setup_md_restraints (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 229, in test_init_model__setup_md_restraints
    self.assertEqual(md.get_restraint_sets()[0], rsb)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 4180, in 
    __getattr__ = lambda self, name: _swig_getattr(self, MolecularDynamics, name)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 54, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_restraint_sets

======================================================================
ERROR: test_init_model_base (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 51, in test_init_model_base
    self.assertIsInstance(self._m,IMP.Model)
AttributeError: 'testSharedFunctions' object has no attribute '_m'

======================================================================
ERROR: rudimentary test of things
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 56, in test_init_model_charmm_protein_and_ff
    self.assertIsInstance(ff, IMP.atom.CHARMMParameters)
NameError: global name 'ff' is not defined

======================================================================
ERROR: test_init_model_setup_scale (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 64, in test_init_model_setup_scale
    s=self.sfo.init_model_setup_scale(3.0,1.0, 5.0)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 314, in init_model_setup_scale
    scale = IMP.isd.Scale.setup_particle(IMP.Particle(m),default,lower,upper)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test_init_model_standard_SAXS_restraint (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 154, in test_init_model_standard_SAXS_restraint
    rs=self.init_model_standard_SAXS_restraint(prot, profile, name='test')
AttributeError: 'testSharedFunctions' object has no attribute 'init_model_standard_SAXS_restraint'

======================================================================
FAIL: test if score is -log(prob)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_GaussianRestraint.py", line 241, in testSanityEP
    self.m.evaluate(False),delta=0.001)
AssertionError: 744.44007192138122 != 745.10467517879397 within 0.001 delta

======================================================================
FAIL: test ensemble averages
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/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: 1.0932283258480746 != 1.0425469051899914 within 0.01 delta

======================================================================
FAIL: test ensemble averages against the standard Monte Carlo
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_HybridMonteCarlo.py", line 152, in test_ensemble_mc
    self.assertAlmostEqual(mean(ene), mean(ene2), delta=1e-1)
AssertionError: 1.5749019347309243 != 1.7889637987442941 within 0.10000000000000001 delta

======================================================================
FAIL: test derivative wrt x for 3 particles and 2 contributions
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 215, in testDerivative
    1.53687,delta=0.001)
AssertionError: 2.3682497943929675 != 1.53687 within 0.001 delta

======================================================================
FAIL: test energy on three particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 73, in testValueEDist1
    expected,delta=0.001)
AssertionError: -0.34651597707795284 != -4.8808506005186159 within 0.001 delta

======================================================================
FAIL: test energy on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 127, in testValueEDist2
    expected,delta=0.001)
AssertionError: 2.5544922490106599 != 2.5282400934145475 within 0.001 delta

======================================================================
FAIL: test probability on three particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 53, in testValuePDist1
    expected,delta=0.001)
AssertionError: 1.341198457519335 != 4.2287149605383965 within 0.001 delta

======================================================================
FAIL: test probability on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 100, in testValuePDist2
    expected,delta=0.001)
AssertionError: 2.026335350015918 != 6.243428936387212 within 0.001 delta

======================================================================
FAIL: test sum of squares on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 180, in testValueSS
    expected,delta=0.001)
AssertionError: 11.402405930463932 != 11.069072597130615 within 0.001 delta

======================================================================
FAIL: test_find_atom (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 95, in test_find_atom
    self.assertIsInstance(p0,IMP.core.XYZ)
AssertionError: None is not an instance of 

======================================================================
FAIL: test_init_model__setup_md_berendsen (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 174, in test_init_model__setup_md_berendsen
    self.assertTrue(isinstance(st1,exp[0]) or isinstance(st1,exp[1]))
AssertionError: False is not True

======================================================================
FAIL: test_init_model__setup_md_langevin (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 191, in test_init_model__setup_md_langevin
    self.assertEqual(md.get_number_of_optimizer_states(), 2)
AssertionError: 1 != 2

======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_isd_standards.py", line 17, in test_classes
    spelling_exceptions)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 359, in assertClassNames
    % (str(bad)))
AssertionError: 8 != 0 : All IMP classes should be properly spelled. The following are not: ['GaussianProcessInterpolation', 'GaussianProcessInterpolationRestraint', 'GaussianProcessInterpolationScoreState', 'GaussianRestraint', 'GeneralizedGuinierPorodFunction', 'GeneralizedGuinierPorodFunction', 'JeffreysRestraint', 'vonMisesKappaJeffreysRestraint']. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_isd_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 453, in assertFunctionNames
    message)
AssertionError: 52 != 0 : All IMP methods should have lower case names separated by underscores and beginning with a verb, preferably one of ['add', 'remove', 'get', 'set', 'create', 'destroy']. Each of the words should be a properly spelled english word. The following do not (given our limited list of verbs that we check for):
BivariateFunction.get_ndims_x1
BivariateFunction.get_ndims_x2
BivariateFunction.get_ndims_y
BivariateFunction.has_changed
Covariance1DFunction.get_ndims_x1
Covariance1DFunction.get_ndims_x2
Covariance1DFunction.get_ndims_y
Covariance1DFunction.has_changed
FNormal.density
FNormal.evaluate_derivative_FA
FNormal.evaluate_derivative_FM
FNormal.evaluate_derivative_JA
FNormal.set_FA
FNormal.set_FM
FNormal.set_JA
GaussianProcessInterpolation.force_covariance_update
GaussianProcessInterpolation.force_mean_update
GaussianProcessInterpolation.get_Omega_particle_is_optimized
GaussianProcessInterpolation.get_number_of_Omega_particles
GaussianProcessInterpolationRestraint.stats
GeneralizedGuinierPorodFunction.get_ndims_x
GeneralizedGuinierPorodFunction.get_ndims_y
GeneralizedGuinierPorodFunction.has_changed
HybridMonteCarlo.get_timestep
HybridMonteCarlo.set_timestep
Linear1DFunction.get_ndims_x
Linear1DFunction.get_ndims_y
Linear1DFunction.has_changed
MarginalHBondRestraint.get_logsquares
MarginalNOERestraint.get_SS
MarginalNOERestraint.get_log_gammahat
MolecularDynamics.assign_velocities
MolecularDynamics.simulate
Nuisance.has_lower
Nuisance.has_upper
Scale.has_lower
Scale.has_upper
Switching.has_lower
Switching.has_upper
TALOSRestraint.get_R0
TALOSRestraint.get_chiexp
UnivariateFunction.get_ndims_x
UnivariateFunction.get_ndims_y
UnivariateFunction.has_changed
vonMises.density
vonMisesSufficient.density
vonMisesSufficient.get_N
vonMisesSufficient.get_R0
vonMisesSufficient.get_chiexp
vonMisesSufficient.set_N
vonMisesSufficient.set_R0
vonMisesSufficient.set_chiexp
If there is a good reason for them not to (eg it does start with a verb, just one with a meaning that is not covered by the normal list), add them to the function_name_exceptions variable in the IMPModuleTest call. Otherwise, please fix. The current verb list is ['add', 'remove', 'get', 'set', 'evaluate', 'show', 'create', 'destroy', 'push', 'pop', 'write', 'read', 'do', 'show', 'load', 'save', 'reset', 'clear', 'handle', 'update', 'apply', 'optimize', 'reserve', 'dump', 'propose', 'setup', 'teardown', 'visit', 'find', 'run', 'swap', 'link']
Misspelled words: logsquares, timestep, ndims, gammahat, chiexp. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test that module classes are either values or objects
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_isd_standards.py", line 12, in test_value_objects
    return self.assertValueObjects(IMP.isd,exceptions)
  File "/scratch/nightly-build-21548/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 209.631s

FAILED (failures=15, errors=68, skipped=25, expected failures=6)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CA of residue 123
P4920
P8511
P2893
P6133
P1747
P5560
P7392
Atom HG3 of residue 18
GeneralizedGuinierPorodFunction 45
P7050
P1629
P8152
P6269
P8
P1714
P4652
Atom O of residue 2
P7202
P4250
P1456
P4049
P2579
P6304
P7498
P4754
P10510
Atom C of residue 61
P2832
P1197
P9318
P8012
P4109
P8082
P3670
P3051
THR
P2719
P6985
P4184
P2960
P4239
Atom HG21 of residue 36
P6819
TRP
Atom HZ3 of residue 11
P5483
Atom HE1 of residue 68
P4685
P2
P2303
P2565
P2320
P0
P5050
Atom O of residue 48
P5852
P5989
Atom C of residue 69
P4216
P5118
P6293
P4942
P7532
P3259
P1660
P3831
P5552
P5912
Atom CA of residue 61
P7522
P3679
P1198
Atom HB3 of residue 25
P3959
P4864
P4849
Atom CA of residue 35
P2460
P4194
P7784
P1618
P73
P1612
P5982
P2748
P1679
P12547
Atom CA of residue 11
P121
P4952
P5209
P4763
P1457
P3892
P5246
P8089
P1748
P4921
P2894
P1630
P8153
P5561
P7393
P1517
P3601
P7051
P6270
P4251
Atom O of residue 48
P4050
Atom N of residue 19
P6305
P1201
P7203
P7500
P4755
P6134
P10514
P1715
Atom CB of residue 48
Atom HG2 of residue 16
P4240
Model 132
ListSingletonContainer282
P4110
P8512
P2617
P8083
P3052
P2720
P2961
P1458
P5990
P8090
P5484
P2613
P3671
P9319
P8013
P7533
P5051
P3680
P5853
P4850
Atom HB of residue 13
P6986
P6820
P3
P4185
P4217
P1335
P7523
P5119
P6294
P4943
P2304
P4109
P2321
P3260
P3832
P5553
P4686
P3960
P4865
P5913
P7785
P4767
Atom N of residue 90
P3893
P2615
P5247
Atom HD21 of residue 25
P2749
Atom HG12 of residue 36
P10511
P2461
P12548
P7394
Atom HB of residue 13
P1466
P4953
P5210
P1613
P5983
P3602
LEU
P1
P4922
P1656
P2895
P98
P2834
P5562
P2614
P1518
P122
P1337
P6271
P8513
P4252
P1631
ListSingletonContainer17
P1680
P4051
P1716
P6306
P7501
P9320
P4756
P8154
P8014
Restraint 6
P4764
P1628
P7204
Atom CB of residue 48
P4111
P7052
P3672
P6135
Atom CG of residue 48
P1470
P2721
Atom CB of residue 36
P1749
P8084
P2962
P6821
P8091
P5485
P5554
P3681
P1412
P5858
P3053
P4186
P4218
P7395
P5125
P6295
P2305
P2652
P4110
P2322
P3261
P5052
P3833
P5991
P6987
P5248
P4866
Atom N of residue 48
P7534
P7786
P3603
P5914
P5984
P7524
P2750
P4837
P12549
P2
LEU
P4954
P3961
P4241
P3894
P5211
P4944
P4923
Atom HG12 of residue 13
P1657
P1471
P2896
P4757
P2462
P2835
P5563
P4765
P6272
P4687
P4253
P3673
P8155
P1519
P6307
P1413
P6136
P123
Atom CE of residue 11
P1632
Atom H of residue 36
P10513
P1681
Atom CG1 of residue 36
P1754
P2564
P4112
P7053
P7205
P5215
P7499
P1614
P4052
P0
P9321
P5859
P5992
P2722
P74
P8015
P4187
P8514
P2963
P8092
P7535
P5486
P8085
P5555
P5053
P7525
P3682
P3054
P6988
P7396
P6296
ASN
P2306
PairScore 11
P4111
P2323
P1644
P3834
P6822
P2566
P1729
P4867
P4838
P4242
P4219
P7787
P3604
P4945
P5985
P3262
Atom CD of residue 48
P1622
P2751
P5915
P12550
Atom HB2 of residue 68
P4955
P3962
P5218
P4688
P1414
P4924
P1658
P1464
P2897
P4758
Atom CG of residue 87
P3895
P2836
P5564
P4766
Atom ND2 of residue 19
P6273
P4254
P3674
P4053
P1755
P6308
P5250
Atom HG of residue 57
Atom C of residue 64
P2463
P1645
P8515
P1633
P1682
P2565
P1520
P124
P4113
Atom HB2 of residue 38
P7502
P8156
P7206
P3055
Atom HD12 of residue 36
P2723
P6823
P4188
P7054
P2964
P6137
P1615
P8093
P5487
P1465
P9322
THR
P8016
P5054
P4243
P5993
P5212
P4220
P1623
P6297
P3896
P4112
P7536
P3263
P3835
P5556
P5856
P2567
P97
P7526
P3683
P5121
P4868
P4839
P7397
P7788
Atom CD2 of residue 8
P3605
P4946
P6989
P5986
P2752
P12551
P1718
P1662
P8086
P4956
P3963
P5916
Atom HA of residue 36
P10515
P2307
P2324
P4689
P1405
P4925
Atom CG of residue 43
P2898
Atom O of residue 64
P2837
P5565
P6274
Atom N of residue 58
Atom HA of residue 8
Atom CA of residue 49
Atom HZ2 of residue 11
P3675
P6138
Atom CA of residue 88
P6309
P7503
P4759
P5251
P1634
P4244
P8157
P1619
P2566
P4114
P7055
P4255
Atom CA of residue 55
P4054
P2464
P1646
P9323
P3056
P5213
P2724
P8017
P4189
P1753
P1521
P2965
P7207
P5488
P3897
P6990
P5055
P8516
Model 86
Atom N of residue 69
P6824
Atom C of residue 47
P8094
P7398
P8087
P6298
P5337
P4113
P3264
P125
P3836
P5557
P5994
P1683
P2568
P3684
P8235
Atom HB2 of residue 8
P5122
P3964
P4869
P4840
Atom HB of residue 36
Atom CB of residue 64
P4221
P7537
GLN
P7789
P3606
P4690
P4768
P1406
Atom O of residue 42
P1663
Atom HZ3 of residue 11
P7527
P2753
ALA
P1620
P12552
P4957
P10516
P2308
P2325
Atom HB3 of residue 49
P5917
P4947
P4926
P2899
P5987
P2838
P5566
P6275
P4256
P3676
P6310
P4760
P5252
ASP
P8236
P4245
Atom HG23 of residue 17
P2567
P4115
Atom HB3 of residue 38
P6139
P4055
Atom CD1 of residue 43
P8517
P3057
P5214
P2725
P4190
P1522
P2966
P7504
P8158
Atom C of residue 55
Atom N of residue 57
P8095
P5489
P4691
P7208
P3898
P2465
P7056
P1635
P5995
P4222
P7399
P8088
P4769
P1407
P6299
P5340
P1621
P4114
P8018
P7538
P3837
P5558
P6991
P6825
P2569
P7528
P5216
P4870
Atom OD1 of residue 113
P4841
P1648
P5056
P7790
P3685
P8238
Atom HG2 of residue 49
Atom C of residue 9
P3265
P126
P2754
Atom CG of residue 64
P12553
P4958
P3965
P10517
P1684
P9324
P4948
P4927
P2900
P5918
P5988
P2839
P5567
Atom NH2 of residue 73
Atom CA of residue 90
P6276
P3
P7505
P3677
P4056
Atom CB of residue 42
P6311
P4761
P2309
P5253
P2326
Atom N of residue 23
P1408
Atom CA of residue 57
P1661
P4116
P8237
Atom C of residue 44
P4257
P3899
P8019
P3058
P8159
P5219
P2726
Atom N of residue 18
P1523
Atom HD12 of residue 30
P3607
P2967
Atom O of residue 23
P9325
P6140
P8096
P5490
P2568
Atom CD2 of residue 43
P4692
P77
P7209
P5217
P1636
Atom O of residue 55
P6826
Atom N of residue 10
P4197
P4223
P7400
P7057
P4770
P6300
P4246
P4115
P1649
P3266
P3838
P8518
P5559
P2570
P8089
P1416
P4871
P5339
P4842
P5057
P7791
Atom HG3 of residue 49
Atom ND2 of residue 113
P5996
P6992
P2755
P2466
P12554
P7539
P4959
P3966
Atom CA of residue 22
Atom N of residue 49
Atom HA of residue 30
P7529
P3686
Atom O of residue 91
P4949
Atom C of residue 42
P4928
P127
P2901
P1431
Atom HB of residue 9
P1685
P2840
P5568
Atom N of residue 74
P5919
P6277
P8233
P4258
P5989
P8090
P6312
P1422
P4762
P2310
P5254
P2327
P2570
P4117
Atom O of residue 44
P7506
P3678
P6141
Atom CB of residue 16
P3900
P4057
ILE
P5333
P3571
P5316
P2727
P2968
Atom CB of residue 23
P9327
P4247
P10518
P8097
P5491
P1647
P8519
Atom CA of residue 114
P5997
P8020
Atom HB of residue 22
P8160
P4198
P7540
P7401
P1524
P3608
P7210
P6301
P4116
P3267
Atom HB of residue 30
P7530
P3839
P7058
P5560
P4693
P6993
P2571
P4872
P4843
P2569
P7792
P3687
P4771
P6827
P151
P5126
P2756
P1637
Atom HG1 of residue 9
P12555
P5058
P1356
Atom HE21 of residue 49
P4960
P3967
Atom HB3 of residue 15
Model 45
Atom C of residue 20
Atom CB of residue 91
P4950
P4929
P2902
P1432
P10519
P2467
P5990
P2841
P5569
P6278
ILE
P1423
P4259
P5920
P1686
P8091
P6313
P5334
P4763
P5255
P4224
P4118
P8451
P3679
P3901
P4058
P4193
P2728
P3609
P2969
P7507
P9328
P4248
P5492
Atom HG22 of residue 30
P2
P8161
P5317
P2311
P6828
P2328
P1357
P3595
P6142
P7402
P4772
P6302
ListSingletonContainer272
P4117
P8021
P3840
P5561
P4694
P7211
Atom HG21 of residue 9
P5998
P2572
Atom HD13 of residue 43
P8098
P8497
P3688
Model 336
P7059
P4873
P4844
P7541
P5059
P7793
P8520
Atom CB of residue 19
Atom HZ3 of residue 11
Atom O of residue 15
P3268
P152
P7531
P5127
P2757
P12556
Atom HD11 of residue 13
P1525
P4961
P3968
P6994
Atom HA of residue 22
P4951
P4930
P1652
P2903
P10520
P1633
P4225
P2842
P5570
P1638
P6279
P8452
P1415
P4260
P3680
P1429
P1687
P4194
Atom HB3 of residue 29
P8092
P6314
P5335
P4764
P5921
P5256
P2468
P3610
P6143
P3
P5991
P4119
P7508
P3902
P4059
Atom HD3 of residue 42
P1599
Atom HG22 of residue 9
P5328
P2729
P4249
P49
P5493
P4695
Atom CG2 of residue 89
P8022
P2329
P2
P8498
P3693
P9326
P3596
P7403
P2571
P8521
P4773
P2970
P1
P6303
P2312
P4118
P3269
PairPredicate 5
P3841
P5562
P8162
P6829
P2573
P8099
P7212
P3969
P4874
P4845
P4
P4226
P7794
P7060
P1421
P5999
P5128
P2758
P12557
P7542
P1526
P4962
P3196
P50
Model 294
P153
P7532
P1434
P4952
P6995
P5992
P4931
P5329
P10521
P8392
Atom OG1 of residue 14
P2843
P5571
P6280
P4261
P8093
P3689
P6315
P2904
P5341
P4765
P1634
P5257
P4250
P5922
P1688
Atom HG2 of residue 29
P4120
P3681
P1639
P3903
P4060
Atom HA of residue 12
P3611
P1600
Atom HA of residue 63
P2730
P2469
P8453
Atom CA of residue 12
P6144
P5494
Atom HE of residue 42
P4696
P3572
P7509
P9329
Atom HD12 of residue 43
P2572
P2971
P6304
P8163
P5220
P4119
P4227
P3842
P5563
P1321
P6000
P2574
Atom HE3 of residue 6
P8499
P4875
P4846
ListSingletonContainer259
Atom HA of residue 59
P8023
P7543
P7404
P7795
P154
P4774
P3
P7213
P6830
P8100
P2330
P3270
P7533
P7061
P5129
P2759
P2313
P8393
P12558
P8522
P4963
P3970
P3
P4953
P6996
P5060
P5330
P2905
P1436
P5342
P4766
P10522
P2844
P5572
Atom HD11 of residue 23
P3197
P6281
P4262
P3682
Atom N of residue 5
Model 277
P4061
P5993
P3
P1527
P6316
P1627
P5258
P1650
P8454
Atom SG of residue 6
P7510
P4251
P4121
P8094
P5923
P3904
P52
Atom HE3 of residue 11
P3612
P3690
P1689
P2731
P2972
P1594
P9330
P1640
P5495
P4697
P3573
Atom HB2 of residue 63
Atom HB2 of residue 8
P8500
Atom CG2 of residue 7
Atom NE2 of residue 49
P4847
P6145
P2470
P2573
Atom HG12 of residue 17
P6305
P5221
Atom HG21 of residue 22
P4120
P3271
P3843
P5564
P6831
P2575
P8101
P8523
P4876
Atom HB2 of residue 59
P7405
P7796
P4775
P4
ILE
P8164
P8024
P2331
P1939
P7214
P5130
P2760
P12559
P7062
P4964
P3971
P6001
P6997
VAL
Atom HD3 of residue 48
P4954
P7544
P5062
P4767
P2845
P5573
Atom NH2 of residue 42
P7534
P2314
P6282
P4228
P5318
P4263
Atom CB of residue 34
P10523
P3160
P51
P4062
P8394
P8095
P3613
P3691
P6317
P2906
P5259
P1
P4252
P5994
P1528
P4122
P3683
P5338
P3905
GaussianProcessInterpolation34
P4868
P5924
P2732
P2973
P7511
P1641
Atom N of residue 50
P6146
P1628
P5496
P4698
P3574
P1690
P8455
P1595
P2574
GLY
P6306
Atom HB3 of residue 63
P6002
P5222
P4121
P3272
P3846
P5565
P9331
P2576
P7545
P8165
P2471
Atom CG of residue 8
P7535
P4776
P8025
P8501
P255
Atom CB of residue 7
P5131
P2761
Atom HB3 of residue 59
P12560
Atom HG3 of residue 1
P7215
P4965
P3972
P4877
P6998
P6832
P8102
P4229
P7063
Atom H of residue 49
P4955
Atom CB of residue 4
P8395
P1329
P5063
P1940
P8524
P6318
P2907
P4768
Atom CA of residue 30
P10524
P5574
P7406
P3614
P3692
P6283
P2332
P5319
P7797
P3844
P4264
P5995
P8096
P4869
P2315
P5260
P2846
Atom CG of residue 34
P4253
P1529
P4123
P3684
P5373
P3906
P8456
P1352
P9332
P2733
P4063
Atom CE of residue 29
P2974
P5925
GeneralizedGuinierPorodFunction 32
P3161
P5497
P4699
P3575
P1596
P7512
P1642
P2575
P4777
P6307
P1691
P5223
P6833
P4122
P4230
P3273
P8502
P5566
P6147
P2577
Atom HE2 of residue 1
P3973
P4878
Atom HG2 of residue 63
P1629
P8026
Atom H of residue 23
P6003
Atom HZ of residue 4
P8525
P5132
P2762
P12561
P7546
P7407
P4966
P8166
P87
P2472
Atom CG of residue 48
P7798
P7536
P7216
P4956
P8103
P256
P7064
P6319
P2908
P10525
P6999
P5575
P3615
Atom CD of residue 33
P6284
Atom N of residue 51
P5061
P5320
P4265
P5374
Atom C of residue 30
Atom H of residue 42
P8097
P5261
P1740
P2333
P2847
P4254
P8396
Atom CG of residue 19
P1936
P4124
P3845
P3685
P3907
P2316
Atom O of residue 18
P6148
P2734
P5996
P2975
P7513
P5498
P4700
Atom HE3 of residue 48
P4851
P5926
Atom NZ of residue 29
P9333
P3162
P4064
P7408
P2576
P1530
P3694
P6308
P1692
P5224
P4123
P4231
P3274
P8457
P5567
Atom C of residue 8
Atom CA of residue 50
P1643
P3576
P4769
P1630
P2578
P3974
P7000
P8027
Atom HD12 of residue 23
P4778
THR
P3616
P5133
P2763
P8167
P12562
Atom HD13 of residue 36
P1331
P4967
P4879
P6004
Atom OG1 of residue 22
Atom CB of residue 18
P7799
P8503
P1597
P4957
Atom HB of residue 26
P7547
P7217
P2909
P10526
P8104
P2848
P5576
P7537
P7065
P6285
P2473
P8397
GLU
P5997
P5321
P8526
P4266
P3686
P6834
P88
P6320
P6
P5262
P8413
P4255
Atom O of residue 30
Atom HA of residue 23
P4125
P3908
P5066
P1332
P4065
Atom CD of residue 48
P2616
P8098
P2976
P5343
P6505
P3651
P2317
P5499
P8458
P4701
P4852
Atom CA of residue 22
P1651
P5927
P2735
P7409
P4779
P6309
P1693
Atom OG1 of residue 22
P5225
P4124
P3275
P1937
P3847
P5568
P7514
P9334
P3577
P3163
P1531
P4880
P8504
P3695
GaussianProcessInterpolationRestraint 2
P1644
P6005
P1631
Atom HG11 of residue 26
P4232
P3617
Atom O of residue 62
P5134
P2764
P4770
P8028
P12563
P8414
P7548
P4968
P3975
P1371
P7
P7001
P6835
P2582
Atom OE1 of residue 24
P7538
P8527
P4958
Atom N of residue 76
P2910
P8168
P2849
P5577
P7218
P6286
P8105
P5322
P7800
P7066
P4267
P3687
P6321
P1601
P2474
Atom HB2 of residue 19
P4256
Atom CB of residue 30
P10527
P1733
P5998
Atom HE1 of residue 1
P4126
P3909
P4066
P5067
P7515
P5263
P8398
Atom CZ of residue 4
P2649
P8099
Atom HD23 of residue 56
P2977
P5344
P3653
P2318
P5500
P4702
P1652
P3578
P1968
P9335
P2736
P8029
P7410
P6310
P5928
P5226
Atom O of residue 17
P4125
P3276
P3848
P5569
P1373
P4771
Atom CG2 of residue 44
P8416
P1532
Atom N of residue 2
P3976
P4881
P3696
P8459
P4780
P2583
P3164
P4233
P3618
GLY
Atom CB of residue 62
P5135
P2765
P12564
P4969
P1645
P1694
P1632
P6836
Atom HG23 of residue 7
Atom HE22 of residue 2
P5323
P0
P8169
P4959
ListSingletonContainer277
Atom CD of residue 27
P2911
P6006
P7002
Atom HG2 of residue 19
P2850
P5578
P5064
P8505
Atom CG1 of residue 30
Covariance1DFunction 84
P6287
P7549
P7801
P7219
P4268
P4067
P8106
P7539
P7067
P6322
Atom CB of residue 29
P5264
P1734
P8399
Atom HG of residue 15
Atom HG3 of residue 42
P8528
P4257
P10528
P4127
P3910
P3688
P2737
P2475
P5999
P2978
P1602
P5345
P5501
P4703
P1649
P3579
P2615
P8100
Atom N of residue 57
P7516
P4772
P2319
P7411
P8460
Restraint 154
P6311
P5227
P4126
P8466
P3277
P5570
P5929
Atom CD1 of residue 44
P4882
P6007
P1328
P8030
P3697
P4781
P9336
P90
P4234
Atom HD11 of residue 15
P3849
P3619
P5136
P2766
P12565
P8506
P7540
P4970
P3977
Linear1DFunction 35
P1646
Atom H of residue 30
P3648
P1698
P7003
P3165
P5065
P5324
Atom CG of residue 62
P4960
Atom C of residue 76
P2912
P1377
P6837
P2611
P2851
P5579
P8529
P6288
Atom CE of residue 27
P1533
P7802
P4269
P1606
P8170
P4068
P8467
P7550
P6323
P7220
P8107
P7068
P4258
P1644
P6000
P4128
P3911
P1735
P3689
P1367
P10529
P2738
P5265
P1316
P8101
P2979
P5346
P5502
Atom O of residue 31
P3580
P8400
P4773
P2476
P7412
P4984
P1943
P3698
P6312
P5228
P6838
P4128
P3278
P3850
P5571
P4704
P7517
P9337
P1654
P1378
P2320
P5
P4883
P5930
P4782
Atom H of residue 44
Atom CZ of residue 45
Atom CD1 of residue 13
P3620
P5137
P1368
P2612
P8031
P12566
P4235
P8461
P4971
P3978
P1647
Atom HD12 of residue 30
P6008
P1741
Atom HB of residue 70
P1830
ScoreState 2
P4961
P2913
P2767
P2852
P5580
P7541
Atom CD of residue 62
P8171
P6289
Atom HH11 of residue 54
P4127
P5325
P7803
Atom O of residue 76
P4270
P3690
P7004
P3166
P7551
P8507
P6324
P5268
P7221
P4259
P10530
P3649
P8108
P7069
P1379
P4774
P3912
P8401
P1534
P8530
P0
P2739
P2980
P5347
Atom HA of residue 30
P1736
P8415
P5503
Atom CB of residue 31
P4129
P4705
P1369
P3581
P89
P6001
Atom HG11 of residue 70
P7518
P2
P2477
P7413
Atom CD of residue 29
Atom HB2 of residue 2
P3699
P4783
P6313
P5229
P6839
Atom HG22 of residue 13
P3279
P8102
P3855
P5572
P9338
P1655
P1942
P0
P8462
P3979
P4884
P8032
Atom N of residue 20
P4985
Atom HG21 of residue 3
P2321
P4069
Atom HH12 of residue 54
P5138
P3654
P1635
P7005
P5266
P12567
P4972
P2581
P4962
P8508
Atom HA of residue 27
P2914
P2768
P6009
P4236
P2853
P5581
Atom CE1 of residue 45
P6290
P7552
P5326
P7804
P4271
P3691
Atom CG of residue 23
P4775
P5931
P1831
P7542
P3621
P8531
P6325
P1
P1648
Atom CB of residue 72
P6002
P4260
P8172
P1697
Atom H of residue 70
P4131
P3851
P7222
P1377
P3913
P8109
P1535
P7070
P2740
P3167
P4
P2981
P5348
ListSingletonContainer278
P1737
P5504
Atom CE of residue 29
P4706
P3582
P10531
Atom HG21 of residue 30
P6
P3700
P4784
P6314
P5230
P6840
P8402
Atom HB3 of residue 16
P3280
P5573
P12568
P4938
P8103
P4885
P1653
Atom CD1 of residue 45
P2478
Atom HB3 of residue 8
P4130
Atom HA2 of residue 75
P7519
P9339
P1382
P2322
P1945
Atom HZ2 of residue 6
P5139
P2769
P6953
P5932
P4237
P4973
P3980
P6010
P4129
Atom HZ of residue 4
P4963
P2359
P4070
P8033
Atom H of residue 14
P3622
P8463
P2915
Atom CG of residue 72
P7006
P5267
P2854
P5582
P7414
P7543
P6291
P7553
Model 153
P5327
P7805
Atom HB2 of residue 27
P4272
P3696
P4776
P3697
P1741
P1829
P6326
P1649
Atom HG13 of residue 30
P8173
P4261
P8509
P3914
P7223
GLY
P2741
P3168
P8110
P6003
P7071
P2982
P1383
P5349
P8403
P5505
P1536
P3852
P8532
P7520
P6
P10532
P8417
Atom CG of residue 51
P3701
P6315
P5231
P6841
P3281
Covariance1DFunction 28
P5574
P4707
P0
P9340
P8034
P12569
P4939
P3981
P4886
P1656
P1910
Atom HG2 of residue 16
P8104
P3692
P3583
P2323
P4071
P4239
P1944
P8464
P5140
P2770
P6954
P5933
Atom CD of residue 72
P7415
P3623
P4974
P2479
P4130
P5332
P4785
P4964
P2916
Atom HA of residue 42
P1746
P2855
P5583
P1858
P6292
Atom HB of residue 7
Atom HG22 of residue 7
P3
P7806
P8510
P4273
Atom HA3 of residue 75
P4777
P6011
P7007
P6327
P3652
Atom CA of residue 47
P7554
Atom HB3 of residue 27
Multivariate Normal distribution 2
P2161
P4262
P2360
P5269
P4238
P7544
P3853
P8533
P3915
Atom CA of residue 44
P8174
P1
P2742
Atom HG11 of residue 17
P2983
P7224
P5350
P8111
P5506
P7072
P3169
P6004
Atom HB2 of residue 11
P7416
P1537
P4132
P3702
P6316
P1650
P10533
P5232
P3282
P5575
P4708
P7521
P4072
P1568
P4940
P3982
P1911
P6842
P56
P8404
P5336
P3584
P8105
P5141
P2771
P1657
P6012
P8035
P12570
ListSingletonContainer462
P8418
P4975
P9341
P4887
P4131
P7555
P1
P4786
P3693
P6955
P5934
Atom NE of residue 72
P4965
P1859
P1947
P7545
Atom N of residue 44
P2917
P7008
GLN
P2856
P5584
Atom CD of residue 51
P3698
P2324
P6293
P2480
P7807
P8465
P4274
P4778
P3854
P6328
P3624
Atom N of residue 76
P1376
P4263
P5272
P8175
Atom C of residue 47
P3916
P2335
P2743
P6005
P8511
P2984
P5351
P5935
Atom HG12 of residue 30
P5507
P17
P4709
P7225
P1739
P8112
P7073
P3
P8405
Atom OD2 of residue 66
P7417
P4133
P3703
P8534
P6317
P5233
P6843
P3170
P4240
P3283
P5576
P10534
P4073
P1569
P8419
P4941
P1538
P3983
P4888
P1378
ListSingletonContainer18
P5270
P4787
P7522
P3694
P3585
P1878
P75
P1318
ILE
P5142
P2772
P6956
P1651
P12571
Atom HA2 of residue 10
P8106
Atom CA of residue 50
P4976
P4132
P2
P8466
P9342
P1659
P4966
P8036
P2918
P6013
P2857
P5585
Atom N of residue 15
P5331
Atom CA of residue 76
P2325
P6294
P7556
P7808
P1946
P4275
Atom HE21 of residue 40
Atom OE1 of residue 51
P7546
P6329
P8512
P3625
Model 415
P4264
P7009
P76
P4074
P2481
P4779
Atom O of residue 47
P3917
P2744
P2230
P8535
P2985
P6318
P5352
P5936
Atom HD23 of residue 71
P5508
P18
Atom HB of residue 30
P8176
P1832
P7226
P2336
P8113
P7418
P4134
P7074
P4788
P5234
P6844
P6006
P3284
P5577
P4710
P7523
P1570
P4942
Atom C of residue 50
P3984
P4889
P10535
P2
P3171
ListSingletonContainer463
P3704
Model 28
Atom HD13 of residue 43
P3586
P1753
P1539
P5143
P3695
P2773
P1652
P1666
P8037
P8406
P12572
P3856
P4977
P1879
P5271
P4133
Atom HG22 of residue 14
P8107
Model 107
P4967
P7010
P4241
P8420
Atom N of residue 75
P2919
P9343
P2858
P5586
P9
Atom OG1 of residue 66
P3626
P6957
P6295
Atom HG21 of residue 17
P7809
P4276
P4780
P6014
P3655
LEU
P6330
P7557
Atom N of residue 1
P8467
P4265
P4075
P1949
P7547
P3918
P6007
P2745
P2326
P2231
P2986
P6319
P5353
P5937
P8177
P2482
P1607
P5509
P4711
Atom HD11 of residue 23
P8513
P7419
P5
P4135
P3705
P4789
P7227
P1326
Atom H of residue 47
P5235
P6845
P55
P8114
P3285
P7075
P5578
P2337
P8407
P4943
P5068
P3857
P8536
P3985
P4890
P3587
P1755
P8421
P1540
P5144
GLY
P2774
P3172
P12573
P3627
P7524
P4978
Atom CG2 of residue 30
P4134
P1833
P1653
P4968
P8108
P2920
P6015
P2859
P5587
Atom HG23 of residue 55
P8468
P1328
P9344
P6958
P6296
P8038
P4242
P7558
P7810
P4277
P4781
P10536
P3656
P7011
Atom CG2 of residue 66
P7548
P1445
P6331
P3697
P1880
P1571
Atom HG22 of residue 17
P4266
P5273
P4076
Atom CB of residue 1
P8514
P1658
P2746
P2327
P1948
P2987
P5354
P5938
ListSingletonContainer262
Atom HG23 of residue 30
P5510
P6008
P8537
P7420
P7
P4136
P4790
Atom N of residue 50
P7525
P6320
P8178
Atom HD12 of residue 23
P5236
P2483
P3286
P2176
P1448
P5579
P7228
P8115
P1548
P3858
P7076
P3986
P4891
Restraint 108
P5069
Atom HA of residue 5
P3706
P3588
P2338
P8039
P5145
P2775
P10537
P6846
P3173
P12574
P3628
P1343
P4979
Atom CD1 of residue 30
P4135
Atom OE2 of residue 7
P4243
P3919
P4969
P8408
P2921
Atom HA2 of residue 47
P2860
P5588
P4944
P1834
P8109
P1654
P6297
P8422
P7811
P4712
P4278
P9345
P1751
Atom N of residue 56
P1323
P6332
P3698
P6959
P1573
P4267
P6016
Atom O of residue 3
P7012
P5274
P4077
Atom H of residue 66
P1449
P4782
P1881
P7559
P8469
Atom HG23 of residue 3
P1344
P2747
P7549
P2988
P5355
P3657
ListSingletonContainer19
P5511
Atom N of residue 19
P5939
P8179
P7421
P1963
P4137
P3707
P6321
P5237
P4244
P6009
P3287
P8515
P2177
P5580
P2328
P1549
P3859
P7229
P3987
P4892
P8116
P8
P7077
P4791
P7526
P3589
P3920
P2339
P1576
P2484
P8409
P5070
P8538
P5146
P2776
P10538
Atom HA3 of residue 47
Atom HD11 of residue 3
P6847
P3174
P12575
Atom CG2 of residue 69
P4945
Atom HD2 of residue 42
P4980
P4136
P8423
P4713
P1658
P1990
P6017
P4970
P8040
Atom HG21 of residue 14
Atom CA of residue 56
P2922
P7560
P2861
P5589
P1835
P3629
P6960
P6298
P7812
P8110
P4279
P4783
P7013
P1756
Atom CA of residue 45
P8470
P6333
P3699
P9346
P4268
Atom HG22 of residue 36
P5275
PRO
P1442
P1882
P57
P2748
Atom HA of residue 66
ILE
P2989
P5356
P5940
P3658
P4078
P5512
P8516
P7550
Atom H of residue 14
Atom HA of residue 59
P6010
Atom HG22 of residue 55
P4138
P6322
P5238
P4991
P4245
P3288
P1542
P8539
P5581
P0
P2329
P3860
P4893
P8180
P7422
P3708
P1443
P4792
P7230
P3590
P58
P8117
Atom N of residue 45
P1950
P7078
P5147
P2777
P1991
Restraint 91
P12576
P4946
P5071
P7527
P4981
P3921
P2340
P4137
P2178
P4714
Model 390
P10539
P4971
P6848
P2485
P2923
P3175
P2862
P5590
P3630
P3988
Atom HG23 of residue 36
P6299
P8041
P8410
P7813
Atom CA of residue 19
P4280
P1659
P4784
P6018
P1836
P8111
P6334
P1919
P3700
P8424
P7561
P9347
P4269
P5276
P4079
P1572
P5513
P6961
P1883
Atom O of residue 10
P15
P2749
P7014
P1444
P5357
P5941
P7551
P8471
Atom HB2 of residue 59
P1765
P7423
P4139
P4793
P2990
P6323
P5239
P4992
P4246
Atom O of residue 66
P3289
P5582
P8181
Atom CA of residue 18
P4894
P6011
P8517
P1951
P3709
P4715
P7528
P3591
P7231
P2778
P10540
P3659
Atom N of residue 48
P6849
P8118
P12577
Atom HG23 of residue 13
P3861
P7079
P4982
P3989
Atom HD11 of residue 36
P4138
P8411
P5072
P1545
P2179
P8540
P4972
P2330
P8042
P1384
P2924
P3922
P2341
P8425
P2863
P5591
P4947
P3631
P7015
P6300
P7814
P4281
ListSingletonContainer263
P2486
P6335
P5148
P3701
P1754
Atom H of residue 12
P8112
P4270
P6019
P5277
P5514
P1837
P8472
P9348
P6962
P1657
P3176
P7562
P1954
P2750
Atom C of residue 71
P7552
P2991
P1953
P5358
P5942
P4080
P6012
P1766
P1388
P4785
P1884
Atom C of residue 18
P1512
P8518
P4140
P3710
P6324
P3923
Atom CZ of residue 59
P5240
P4993
P4247
P3290
Model 35
P5583
P4716
LYS
P3862
P4895
Atom HG11 of residue 5
P8541
P4794
P3592
P3660
P1757
P2779
P8182
P12578
P7232
P4988
P4139
P8119
P7815
P7080
P4973
P2331
P5073
P1952
P5149
P7529
P2925
Model 133
Atom CA of residue 18
P2864
P5592
P0
P4948
Atom CD1 of residue 56
P1544
P3632
P3990
P10541
P6850
P6301
P1389
P4282
P6020
P2342
P6336
P1886
P3702
P8043
P8412
P7563
P7424
P1770
P2180
P4271
P7016
P5278
P2487
P8113
P1514
P3924
P8426
P1765
P9349
Atom HA of residue 42
P2751
P1838
P7553
P2992
P6963
P5359
P3177
P4081
P3
P5515
P33
P4717
P4786
Atom CA of residue 48
P1758
P1954
P4141
P8473
P4795
P6325
P1562
P5241
P4994
P4248
P6013
P3291
P5584
P5943
GLU
P3863
P7530
P4896
P1333
P3711
P4989
P3593
P8183
P1885
P6851
P2780
P12579
P8519
P3991
P3661
Atom OH of residue 59
P4140
P8044
P4
P7816
P1515
P7233
P4974
P8120
P7081
P5150
P2926
Restraint 585
P8413
P2865
P5593
P7425
P4949
P5074
P3633
P8542
P6302
Atom CB of residue 71
P1381
P10542
P8427
Atom CD2 of residue 56
P6337
P3703
Atom C of residue 48
P1953
P1563
P4272
P2332
P2343
P5279
P4082
Model 193
P6964
P4787
P3925
P1766
Atom N of residue 73
P1771
P8114
P2181
Atom HD13 of residue 36
P6021
P2752
P7017
P1839
P8474
P9350
P5360
Atom C of residue 73
P2488
P7564
P5516
P4718
P1887
P4283
P1759
P34
P7554
P3178
P59
P4142
P2993
P6326
P5242
P4249
P3292
P5585
P1955
P5944
P1
P8520
P3864
P3992
P4897
P1564
Atom HD13 of residue 61
P4995
P6014
P7426
P3712
P1382
P4796
P3594
P1886
GLY
ListSingletonContainer465
P2781
P12580
P8543
P7531
P4141
P1466
Atom O of residue 21
P8184
P4975
P6852
P7234
P2927
P4986
P1214
P3662
P60
P8121
Atom H of residue 26
P2866
P5594
P4950
P3634
P7082
P6022
P6303
P8045
P5075
P7817
P4788
P7565
P1546
P6338
P5151
Atom N of residue 37
P10543
Atom CG of residue 71
P7555
P7018
P2344
P5280
P4083
P1767
Atom H of residue 56
P3242
Atom O of residue 48
P3926
P8414
Atom CZ of residue 45
P1954
P3704
P2753
P2333
P1840
P1767
P8115
P1383
P2994
P5361
P4273
P8428
P5517
LEU
P2182
P4719
P9351
P6965
P3179
P2489
P4143
P4797
P1888
P6327
P4996
P4250
P6015
P7427
P3293
P5586
P1956
P10
P3865
P8475
P4898
P1513
P1764
P1467
P4284
P5945
GaussianProcessInterpolation68
P2782
P1215
P12581
Atom O of residue 3
P4987
P3993
P3597
P8185
P4142
P3713
P5243
P4976
Atom HD11 of residue 61
P8521
P7532
P2928
Atom CA of residue 47
Atom HA of residue 26
Atom HA of residue 45
P2867
P5595
P4951
P1551
P3635
P7235
P6304
P8122
P7818
P7083
Atom HB2 of residue 11
P8415
P11
P5076
P8544
P6339
P5152
P1887
P8046
Atom N of residue 28
P4274
P6023
P10544
P3663
P2345
P5281
ListSingletonContainer264
P4084
P8429
P3243
P1216
P4789
ListSingletonContainer20
P3927
P7566
AngleSingletonScore5
P3705
P2754
P7556
P2995
P5362
Atom CB of residue 48
P5518
P1770
Atom HH12 of residue 72
P1955
P8116
P4720
P7019
P1768
P8476
Atom CB of residue 3
P9352
P6966
P1514
P4144
P1468
P2183
P4798
P1889
P4285
P6328
P4997
P4251
P7428
P3294
P5587
P5946
PRO
P2357
Atom HG11 of residue 70
P1841
P3866
Model 337
P3994
P3714
P1957
P5244
Atom HD22 of residue 25
P8522
P2783
P12582
P6016
P7533
P4899
P3599
P2490
P4143
P4977
P3180
P8545
P2929
Atom N of residue 47
P2868
P5596
P4952
P3636
P8186
P6305
P8047
P7819
P7236
P1206
P4790
P1888
P8123
P1553
P7084
P6340
P5153
P3706
P7020
P5077
P1469
PHE
P5282
P1326
Atom HH21 of residue 72
P12
P1515
P6024
P3664
P2755
P3156
P2996
P4286
P5363
P4276
P4085
P8416
Atom HE1 of residue 45
P7567
P5519
P1956
P8238
P4721
P3928
Atom HZ2 of residue 6
P1769
P7557
P8117
P10545
P2346
P8430
P6017
P1771
P4145
P3715
P4799
P6329
P9353
P4998
P4252
P5588
P6967
P2358
P61
P1842
P3867
P2184
P3995
P1374
Atom C of residue 11
P5245
Atom CE2 of residue 20
P3295
P8477
P2784
P12583
P1470
P1890
P4900
P1958
P4275
P5947
Atom CA of residue 37
P4144
Atom N of residue 26
P4978
P2930
P1516
P10546
P8187
P2869
P5597
P4953
P3637
P3181
P6306
P2491
P7429
P7820
P8523
P7534
P1207
P4791
P1889
P6341
P7237
P5154
P8124
P1772
P7085
P6025
Atom CB of residue 61
P5283
Atom N of residue 50
P8417
P5078
P8239
P8546
P4287
P8048
P7568
P3707
Atom C of residue 37
P3665
P2756
P7021
P8431
P1550
P7558
P3157
P2997
Atom CG of residue 48
P5520
P4722
P3929
Atom O of residue 27
P4086
P13
P1768
P6968
P2347
P1957
P4146
P8118
P4800
P6330
P1208
P4253
P3296
P8478
P5589
P9354
P1517
P3868
P1471
P4901
P6018
Atom HD2 of residue 29
P5364
P62
P7535
P2785
P3598
P2335
P4999
P12584
P5598
P10547
P4145
P7430
P8524
P3716
P2185
Atom HD23 of residue 15
P5948
P5246
P4979
P1843
P1891
P2931
P4
P1959
P8049
Atom CD2 of residue 43
P4954
P3638
P6307
P7821
P1777
P8547
P4288
P4792
Atom CG of residue 31
P6342
P5155
P8188
P3182
P2870
P7238
P2135
P4277
Atom CD of residue 48
P5284
Atom C of residue 50
P2492
P8125
P7086
P8236
P1518
P5
P1822
P5079
P1472
P3708
P3996
P2757
LEU
P3158
P2998
Atom O of residue 37
P5521
P4723
P6026
P3666
P3930
P7022
Atom CB of residue 27
P1769
P3153
P1890
P8418
P7569
Atom HD3 of residue 29
P4147
P4801
P6331
P5365
Atom H of residue 5
P4254
P7559
P8119
P5590
Atom N of residue 16
P4087
P8432
P1958
P3869
P9355
P4902
P3717
P6969
Covariance1DFunction 71
P0
P7431
P3297
P2786
P2348
P12585
P6019
P5599
P10548
P4146
P1191
P8479
P1203
P1519
P5247
P4980
P1844
P1473
P1892
P7536
P5949
ListSingletonContainer265
P4955
P3639
Atom CE of residue 48
P2336
P6308
P7822
P8237
Covariance1DFunction 26
P4289
P1960
P8189
P2186
P6343
P5156
P2932
P6027
P5000
P8050
P2871
Atom CB of residue 43
P8525
P4278
P6
P7570
P14
P7239
P4793
P3931
P3183
P8126
P7560
P7087
P3709
P3155
P2758
P7023
P8419
P1200
P5080
P3159
P8548
P2999
P1
P5285
P2493
P5522
P3667
P1891
P4088
P8433
P4148
P6332
P1520
P5366
Atom CG of residue 27
P4255
P7432
P1777
P3298
P3718
P1474
P5591
P4724
P3997
P8120
P4903
P6020
P8480
P9356
P6970
Atom CA of residue 44
Atom HG23 of residue 7
P1959
P4802
Atom HG22 of residue 17
P2787
P2349
P12586
P3870
P10549
P4147
P1192
P27
Atom CB of residue 37
P5248
P4981
P5001
P2933
P2872
P5600
P4956
P8526
P3640
P1674
P5950
Atom HG21 of residue 55
P6309
P7823
P7537
P1961
P2187
P6344
P5157
P3710
Atom NZ of residue 48
P2337
Atom CG of residue 43
P8549
P1521
P5286
P1816
P1845
P1475
P4290
P4794
P8190
P3184
P8051
P7240
P6028
P2759
P8127
P1193
P3160
P7088
P3000
P1893
P7571
P5523
P5081
P4725
P1892
Atom O of residue 73
P7561
Atom SD of residue 1
P4149
P6333
P4279
P7024
P2494
P4256
P7433
P3299
Atom O of residue 40
P3723
P5592
P3998
P3077
P3932
P8420
VAL
P3871
P4904
Atom HB3 of residue 29
P8121
P5367
Atom HA of residue 37
P8434
P2788
P9357
P5002
P12587
P3641
P6971
P1522
Atom CD of residue 18
P3668
P0
Atom O of residue 44
P4089
P4148
P1960
P1476
P1675
P5249
P4982
Atom HG21 of residue 12
P6021
P7538
P2873
P5601
P1174
P4957
P8481
P6310
P28
P7824
P1
P4291
P1962
P4795
P5951
P10550
P1
P6345
P5158
P2934
P3711
ScoreState 36
Atom HG22 of residue 55
P8052
GaussianProcessInterpolation55
P5095
P8191
P2350
P1846
P3719
P2188
Model 278
P2338
P7025
P8527
P3999
P2760
Atom CA of residue 17
P1817
P3162
P3001
P7241
P3185
P63
P8128
P5524
P7089
P4726
P6029
P2
P8421
ListSingletonContainer464
P5082
P8550
P1894
P1523
P7572
P4150
P1477
GaussianProcessInterpolation10
LYS
P6334
P5287
Atom HB2 of residue 4
P4257
P8435
P7434
P3300
P7562
P5593
Atom HE2 of residue 48
P3933
P6022
P3872
P4905
P4280
P2495
P16
P6972
P5368
P8122
P2789
P3078
P5003
P12588
P1175
P1772
Atom CB of residue 73
P3161
P8482
P9358
P1893
P64
P4149
Atom HG2 of residue 29
P1961
P5250
P4983
Atom CE of residue 6
P2
P2935
P2874
P5602
P4958
Atom CB of residue 40
P3642
P1
P6311
P4090
P7825
P4796
P10551
P3669
P8528
P6346
P5159
Atom O of residue 5
P4000
P5952
Atom H of residue 48
Atom HD23 of residue 43
P7539
P5120
Atom HB2 of residue 37
P4292
P1673
Atom HG23 of residue 55
P2339
P1176
P8551
P1524
P6030
P2761
P1478
P2189
P3002
P1963
P8192
P5288
P8053
P7573
P5525
P3720
P4727
P7242
P3934
P7026
P2351
P8129
P8
P2
P7563
P7090
P3712
P4281
P3186
P5083
Atom CA of residue 73
P1847
P4151
P6335
P4258
P1818
P3301
P5594
P1895
P5004
P4906
P5369
P4988
P8422
P1177
P2790
P3079
P12589
P6023
P8123
P3873
P3643
P4091
P2496
P4150
P8436
P1962
P7540
P9359
P5251
Atom CA of residue 11
P2936
P6973
Atom HA of residue 48
P1894
P2875
P5603
P4959
Atom C of residue 40
P1479
P5124
Atom CB of residue 42
P6312
Atom CB of residue 21
P7435
Atom HB3 of residue 8
P7826
P0
P4001
P129
Atom N of residue 21
P0
P8483
P6347
P5160
P1525
LEU
P5953
P10552
P3670
P1179
P3721
P4797
P8054
P7
P35
Atom HB3 of residue 43
P8193
P2762
P3003
P1964
P4282
Atom HG23 of residue 3
P2340
P5526
P3
P8529
P4728
P4293
P1676
P3935
P4989
P2352
P2190
P7243
P3713
Atom HB2 of residue 68
P8130
P1848
P4152
P3163
P7091
P6336
P6031
P7027
P5289
P8423
P4259
P3302
P5084
P8552
P5595
P3187
P7574
P3874
P1480
P4907
P130
P8437
P7564
P1896
P5370
Atom HB3 of residue 37
Atom HG of residue 20
P4092
P2791
P1526
P3080
Atom HB2 of residue 48
P12590
P1819
P4151
Atom CG of residue 21
P7436
P8124
P4002
P5252
P6024
Atom OH of residue 59
P8484
P2937
P9360
P6974
P2876
P5604
P4960
P3644
P5005
P6313
P2497
P7827
P7541
P10553
P1895
P3722
P6348
P5161
P1677
P2134
P0
P4283
ASP
P8530
P4294
P5954
P6032
P3936
P8055
P1481
P3714
P5096
P4798
P3671
P2763
Atom HB3 of residue 68
P7575
P1890
P3004
P5290
P1823
P5527
Atom HH21 of residue 72
P7565
P8553
P4729
P7028
Atom CA of residue 8
P8196
P2341
P4153
P7244
P6337
P2353
Atom N of residue 21
P8131
P4260
P7437
P1348
P3303
P2191
P7092
P5596
Atom HD11 of residue 43
P1527
P3188
P37
Atom H of residue 59
P5085
P3875
P3164
P4908
P1965
Atom CD1 of residue 4
P1897
P5371
P5006
P4093
P2792
P3081
P12591
P6025
P1849
P4003
P4986
P4152
P8424
Atom HB3 of residue 48
P5253
P8240
P8125
P1482
P2938
Atom CG of residue 37
P8438
P2877
P5605
P4961
P3645
P9361
P6314
P2498
P7828
P4295
P6975
Atom CB of residue 23
P1824
P6349
P5162
GaussianProcessInterpolationRestraint 23
P1335
Atom H of residue 25
P1964
P7542
P4284
P1896
P5291
P1919
P8485
Restraint 153
P1528
P3937
P3715
P5097
P4799
P5955
P10554
P3672
P4094
P3005
Atom HA2 of residue 47
P8056
P5528
P4730
Atom HD12 of residue 43
P6033
P8241
P2764
P7576
P8531
P4154
P6338
P4261
P7438
P3304
P7566
P1483
P2192
P5597
P2342
P8132
Atom O of residue 12
P3876
P3724
P3165
P4909
P1966
P4987
P7029
P2354
P8425
P5086
P8554
P5372
P5008
Atom HA of residue 59
Atom HB of residue 61
Atom HD12 of residue 23
P2793
P3082
P3189
P12592
P8439
P1825
P65
P3646
P1898
P4004
P4153
P1529
P5254
P1850
P7245
P2939
P6976
P2878
P5606
P8249
P4962
P8126
P7093
P6315
P6026
P7829
P8486
P4296
P7543
P9362
P4800
Atom CG1 of residue 23
Atom HH22 of residue 42
P6350
P5163
P3716
Atom HB of residue 7
P4285
P1684
P1897
P5292
P2499
P1484
P1495
P3938
P8057
Atom HA of residue 23
P5098
P2765
Atom HG13 of residue 3
P4095
P8532
P3006
P5956
P10555
P7030
P5529
P5598
P4731
Atom CD of residue 37
P3673
P1889
P1965
P4155
P8555
P6339
P6034
P4262
P7439
P3305
Atom HG13 of residue 61
P2193
P7577
P3877
P3725
P3166
P7246
P4005
P4910
Atom CA of residue 69
P8133
Atom HA of residue 25
P7567
P7094
P1496
P1530
P5377
P2343
P5009
P6027
Atom HB2 of residue 59
P5087
P3083
P2355
ListSingletonContainer298
P12593
P3647
von Mises sufficient 0
P4154
P66
P1485
P5255
P3190
Atom CG1 of residue 3
P1851
P1899
P2940
P2794
P1967
P8426
P2879
P5607
P4963
Atom N of residue 43
P6316
P7830
P8127
P4297
Atom HD12 of residue 15
P4801
P8440
Atom HB of residue 23
P6351
P5164
P9363
Atom HG2 of residue 48
P6977
P4286
Atom HA3 of residue 47
P5297
P3939
P1309
Atom HG21 of residue 61
P4
P7544
P3717
P5099
P10556
P1898
P4096
P8487
P3007
P1497
P1531
P1678
P2500
Atom O of residue 61
P5530
P5599
P4732
P5957
P6035
Atom CG of residue 4
P1921
P1966
P2766
P8058
P7578
P4156
P1486
P6340
P3674
P7031
P8234
P4263
P7440
P3306
P7568
P8533
P3726
P3167
P7247
P4006
P4911
P7095
P5431
Atom HG22 of residue 44
P2344
P8134
P2194
P3084
P10557
P2356
P8427
P12594
P5088
P3878
P3648
P8556
P2814
P5007
P5293
P131
P4155
P4
P5256
P8441
P6028
P2941
P2795
Atom C of residue 12
P2880
P5608
P4964
P7545
P1532
Atom HG3 of residue 48
P6317
P7831
P311
P1900
P1968
P4802
P3191
Atom HG22 of residue 61
P8128
P6352
P5165
P3718
Atom O of residue 17
P1487
P8488
P9364
P6978
P4287
Atom HG13 of residue 17
P3940
Atom CA of residue 11
P5100
P2767
P8193
P1852
P2547
P3008
von Mises sufficient 1
P1490
P5531
P69
Atom CB of residue 41
P4733
P4298
P1899
Atom N of residue 48
P8534
P5958
P8241
P4157
Covariance1DFunction 51
P6341
P1679
P2501
P8059
P4264
P3307
P5600
P3879
P3168
P8557
P4912
P6036
P3675
P7032
Atom N of residue 31
SingletonScore 4
Atom HD2 of residue 48
P2345
Atom HA of residue 17
P7579
P7442
P1967
P7248
P2796
P3085
P8135
P12595
P8240
P1922
P7569
P3727
P1488
P7096
P4007
P1533
P5375
Atom HG23 of residue 44
P6318
P4156
P5089
P5257
P2942
Atom CD2 of residue 8
P8240
P2881
P5609
P4965
Atom HG21 of residue 17
P5010
P5294
P0
P6029
P7832
Covariance1DFunction 15
P312
P2195
P1901
P8428
Atom HG12 of residue 61
P6353
P5166
Atom HD2 of residue 4
P3719
P10558
P2362
Atom CB of residue 17
P8129
P3649
P1491
P7546
P4288
P3192
P8442
P7441
P7249
P4299
P9365
P3941
P7097
P6979
P1969
P5101
P1722
P2768
P8196
P8241
P3009
P5532
P4734
P8357
P7580
P1970
P1534
P0
Atom CG of residue 41
P7570
P4158
P2784
P6342
P5376
P5959
Atom HD3 of residue 48
P1900
P7033
P3308
P1853
P3
P5601
P8060
P3880
P3728
P1489
P3169
P4008
P4913
P3676
P19
P1891
Atom HG22 of residue 17
P6037
P2502
P4265
Atom HB3 of residue 21
P8535
P2797
P3086
P12596
Atom HD13 of residue 23
P1492
P5295
ListSingletonContainer299
P6319
P4157
P8136
P5258
P5011
P8429
P6030
P5090
P8558
Atom CG2 of residue 5
P2943
Atom HD11 of residue 44
P10559
P2882
P5610
P4966
Atom C of residue 55
P2346
P3
P8443
P7833
P314
GaussianProcessInterpolation0
P1724
P8249
P6354
P5167
P3724
P1535
P3650
P2196
P6980
P4289
P1971
P8130
P7250
P1902
P4300
P1490
P7098
P7547
P9366
P5102
P2769
Atom HG21 of residue 3
P3010
P3193
P5533
P4735
P1329
P3942
P132
P6149
P4159
P6343
P1970
Atom HG23 of residue 17
P1901
Atom CD2 of residue 8
P3309
P8536
P5602
P5960
P7581
P3881
P3170
P1500
P2785
Restraint 179
P4914
P3677
P8061
P20
P1854
P1892
P7571
P8358
P2300
P6038
P4266
Atom OG of residue 20
P8559
P3720
P2798
P1536
P7034
Atom CA of residue 23
P12597
P2007
P3729
P4009
P1325
P2358
P4158
P2128
P5259
P5296
P2503
P8137
P2944
P10560
P2883
P5611
Atom CD of residue 41
P4967
P5091
P3651
Atom O of residue 55
P3087
P2347
P6320
P7443
P7834
P315
P1491
P6355
P1505
P5168
P5012
P6031
P7548
Multivariate Normal distribution 23
P4290
P8430
P7251
P4301
P3943
P8131
P2197
P7099
P5103
P2770
P8444
P3011
P1903
P9367
P5534
Model 338
P4736
P6981
P1537
P1324
Atom HG22 of residue 9
P7035
P3194
P4160
P8359
P8262
P6344
P1
P1720
P8237
P4267
P3310
P1969
P5603
P3882
P3730
P3171
P4010
P4915
P1971
P5961
Atom C of residue 18
P6039
P6505
P1902
P8062
P7582
P1492
P1506
P2799
P12598
P1855
P7572
P3652
P2301
Atom H of residue 7
P4159
P6032
P21
P8245
P8537
P2786
Atom C of residue 37
P1325
P5260
ListSingletonContainer300
Atom HA of residue 20
P2945
P3721
P3678
P1826
P8138
P2884
P5612
P4968
P3088
P6321
P2504
P8431
P5092
P7835
P8560
P4302
P1538
Atom HB3 of residue 72
Atom H of residue 20
P1893
P6356
P5169
P10561
P8445
P7444
P4291
P5013
Atom O of residue 37
P7252
P5298
P3198
P8238
P313
P2198
P7100
P5104
P2771
P2348
P8132
Atom CB of residue 55
P3012
P8263
P1321
P5535
P8244
P4737
P7549
P9368
P6982
P3944
P133
P4161
P1904
P6345
P6506
P3311
P1493
P5604
Atom O of residue 37
P7583
P3883
P3731
P3172
P4916
P6040
P1725
P7036
Atom C of residue 37
P8538
P7573
P1539
P5962
Atom O of residue 18
P5261
LEU
P4268
P1498
P2236
P3722
P2805
P1972
ListSingletonContainer21
P8239
P8063
P12599
Atom C of residue 49
P1856
P3653
P8360
P4011
P10562
P1903
P4160
P7445
P8561
P2946
P3679
Atom HE3 of residue 48
P2885
P5613
P4969
P3089
P1322
P6322
P6033
P22
P7836
Atom HG2 of residue 72
P5093
Atom HG3 of residue 24
P6357
P5170
P2787
P4292
P2505
P1894
P1494
P4304
P1828
P5014
P5299
P5105
P2772
P2349
P8432
P3013
P7253
P1540
P8139
P5536
P8133
P7101
P4738
P3945
P8446
P7550
P6150
P1726
P3199
P4162
P1499
P6346
P6983
P4269
P7446
P3312
GeneralizedGuinierPorodFunction 46
P5605
Atom N of residue 37
Atom H of residue 63
P3884
P3732
P3173
P8361
P1905
P8264
P3723
P4917
P1323
P8235
P2199
Atom HA of residue 2
P4303
P5262
Atom CG of residue 50
P2237
P2808
P5963
P6041
P2
Atom HZ1 of residue 48
P7037
P12600
P4012
P9369
P10563
P4161
P8064
P7584
P8282
P318
P1973
Atom O of residue 49
P1857
P7574
P2947
P2886
P5614
P4970
Atom HG2 of residue 42
P8539
P3654
P1503
P1541
P3090
Atom CA of residue 18
P1904
P6323
P7837
P1495
P8140
Atom H of residue 72
P6358
P5171
P1829
P8433
P6034
P5094
P8562
P8236
Atom N of residue 25
P7254
P2788
P3680
P5300
P8447
P7102
P2773
P5015
P1895
P3014
P4293
P2506
P5537
P4739
P6984
P3946
Atom C of residue 105
P8134
P7551
P6042
P1319
P3201
P4163
P6347
P9370
P4270
P7585
P7447
P3313
P5606
Atom HZ2 of residue 48
P7575
P3885
P3174
P4013
P4918
P5106
P7038
Atom CG2 of residue 13
P8283
P1496
P2803
P2350
P2238
P6151
Atom H of residue 18
P1723
P12601
P23
P8540
P3733
P1906
Atom HG23 of residue 3
P1542
P5964
P10564
P4162
Atom HA of residue 8
P5263
P8065
P2200
P6359
P8362
P2948
P1827
Atom CD1 of residue 50
P2887
P5615
P4971
P3655
P1974
P3091
P6324
P6035
P7838
P4305
Atom HA of residue 18
P8141
Atom HB2 of residue 63
P5172
P1905
P1
Atom HA of residue 72
P7255
P8297
P3681
P5301
P1893
P7103
P1320
P2774
Atom CG of residue 105
Atom CA of residue 49
P3015
P2789
P3725
P5016
P5538
P24
P1482
Atom CD of residue 24
P7552
P3947
P8434
Model 154
P1896
Atom O of residue 58
P5107
P2507
P4164
P8135
P1497
P6348
P9371
P4294
P8448
P7448
P3314
P316
P5607
P4740
P2804
Atom HZ3 of residue 48
P3886
P3734
P3175
P4014
P4919
P6985
P1543
P6152
P6043
P8298
P1728
P7586
P8496
P12602
P7576
P10565
P1483
Atom HD21 of residue 8
P5965
P5264
P7039
P6360
P1907
P2949
P2351
P8066
P2888
P5616
P4972
P8284
P0
P1975
P3093
P6325
P4163
P7839
P2201
P2239
Atom HB2 of residue 18
P8541
P5173
P3656
P1498
P1482
Linear1DFunction 15
P3726
Atom HB2 of residue 18
P8142
Atom HD11 of residue 15
P4271
P5302
P8435
P6036
P7104
TRP
Covariance1DFunction 21
P1544
P1906
P2775
P1484
P3016
P4295
P8449
P5539
P4306
P7553
P3948
P5017
Atom CD2 of residue 50
P1897
Atom CB of residue 58
P2790
P5108
P3092
ListSingletonContainer22
P6349
P3682
P7449
P25
ARG
P3315
P317
P8136
P5608
P4741
P1830
Atom CA of residue 102
P3887
P3176
P1483
P8266
P9372
P4920
P6986
P6153
P2508
P8143
P4165
ScoreState 23
Restraint 582
P1860
P7260
P6044
P12603
Atom OD1 of residue 77
P1486
P8285
P1499
P4015
P4164
P7587
Atom HD3 of residue 27
P3
Atom CB of residue 18
P5265
P8542
P7577
P2950
P1545
P5966
P10566
Atom N of residue 49
P2352
P7040
P2889
P5617
P4973
P3657
P3735
P6326
P8067
P4272
P7840
P2202
P8497
P2240
P1484
P6361
P5174
P9373
P1976
P293
Atom HG2 of residue 1
P3727
P4296
P1908
P5303
P2776
Atom CB of residue 2
P6037
P3017
P5540
P1907
P3949
Atom C of residue 102
Atom HD13 of residue 15
P7256
P8267
P5018
P7105
P4307
SER
P7554
P6350
P8436
P3316
P1898
P1486
P5609
P4742
P8498
P2791
P2
P1546
P1861
P8137
P3888
P1500
P3177
P4921
P6154
P5109
P6045
P3683
P8144
P8450
P2383
P4166
P7588
P36
Atom C of residue 111
P6987
P12604
P1476
Atom CG of residue 58
P7578
P3736
P4016
P10567
P4165
P4273
P3658
Restraint 92
P1727
P5266
AngleSingletonScore8
Atom HA of residue 1
P2951
P7041
P1831
P2890
P5618
Atom N of residue 114
P4974
Atom NH1 of residue 42
P294
P1
P5967
Atom CG of residue 18
P6327
P2509
P7450
P7841
P2353
P8068
P8286
P0
P6362
P5175
P9374
P2203
P7257
P3094
P4297
P8543
P7555
P1977
P1501
P1476
Atom CA of residue 70
GLN
P2777
P6038
P3018
P8499
P1909
P4308
P3728
P8437
P5541
Model 393
P1547
P3950
P5304
Atom O of residue 9
P2241
P8451
Atom HB2 of residue 65
Atom CA of residue 59
P4167
P7106
P6351
P5019
P3317
P5610
P4743
P2792
Atom HG21 of residue 9
P1477
P3889
P3178
P4922
P6988
P6155
P5110
P3684
P8145
P1899
P8138
P1908
Atom CA of residue 20
P8268
Atom NE of residue 5
P12605
ARG
P26
Model 44
P4017
P10568
P1832
P7451
P2385
P7258
P6046
Atom CA of residue 49
P5267
P7042
P4274
P8287
P1502
GaussianProcessInterpolation5
P2952
Atom HD11 of residue 13
P7589
P2891
P5619
P4975
P3737
P3096
P6328
P4166
P7842
P8544
P7579
P3659
P4309
P1548
P5968
P1477
P6363
P5176
P9375
P8069
P3729
P2354
P2510
Atom CA of residue 50
P6039
P2204
Atom C of residue 70
Atom N of residue 22
P2778
P1319
P3019
P1978
P4298
P5542
P283
P7556
P3951
P5305
Atom O of residue 9
P1478
P1910
P3095
Atom HA of residue 22
P4168
P6352
P3318
P1503
P5611
P4744
P8269
P6047
P5020
P3890
P3179
P7107
P4923
P6156
P5111
Atom N of residue 18
P8438
P8146
P7590
P51
P2242
P1549
P4275
P7452
P7580
P2549
P12606
P8452
P1900
P3738
P2793
P4018
P10569
Atom N of residue 11
P4167
Atom HB3 of residue 65
LEU
P1337
P7262
P6989
P5268
P7043
P1478
P2953
P2892
P5620
P4976
P1949
P6329
P7843
P2360
P3660
P4310
P3685
Atom CG of residue 1
P8139
P0
P6364
P5177
P9376
P5969
P3730
P8070
P8288
P4
P1504
Atom N of residue 27
P5306
P6040
P1479
P2779
P2355
P8545
P3020
P1345
P1550
P2511
P5543
P2205
P3952
THR
P1979
P8439
P284
P4169
P7108
P7259
P7557
P6353
P4299
P4276
P7453
P3319
P5612
P4745
P1911
P8453
P3891
P3180
P4019
P4924
Atom OD2 of residue 52
P6157
P5112
Atom C of residue 49
P5021
Atom HG12 of residue 3
Model 295
P1488
P1479
P2794
GLU
P6048
P8147
P12607
P1901
P8140
P3739
P2243
P4168
P7591
P52
P1505
P8270
P6990
P5269
Atom CD of residue 11
P7581
P2954
P2893
P5621
P4977
P2
P1395
P1551
P3097
P7044
P6330
Atom HA of residue 65
P8289
P7844
P3661
P4311
P10570
P2550
LYS
P6365
P5178
Atom C of residue 15
P8546
Atom HD23 of residue 69
P3731
P5970
P9377
P1400
P5307
P8071
P3686
P2780
P3021
LYS
P4300
Atom O of residue 49
P2360
P6041
P5544
P7558
P3953
P8504
Atom CA of residue 53
P1980
P1494
P4170
P2206
P1488
GaussianProcessInterpolation35
P6354
P2512
P4277
P7454
P3320
P2361
P5613
P4746
P1912
1G6J_MODEL1.pdb
Atom CZ of residue 54
P285
P3892
P3740
P3181
P4925
P1552
P6158
P5113
P8148
P8271
P1401
P7045
P5022
Atom CA of residue 66
P7109
P8440
P12608
P8141
P2244
P4020
P2112
P1912
P4169
P1506
P6049
P5270
P8454
P7261
P2955
P7592
P2894
P5622
P4978
P1902
P1493
Atom HD13 of residue 69
P6991
P3098
P6331
Atom CG1 of residue 13
P53
P7845
P7582
P3662
P4312
P10571
Model 134
P6042
P6366
P5179
P2795
P9378
P1495
P3732
P4301
Atom CB of residue 49
P2551
P5971
P3954
P2361
P5308
Atom CZ of residue 72
P1553
P2781
Atom CA of residue 48
P8072
P8290
P1325
P3022
P1396
P1402
P5545
P3687
P8547
Atom HA of residue 12
P1981
P1326
P4171
P2207
P6355
P4278
P7455
P3321
P5614
P4747
P8441
P3893
P3182
P1504
P7559
P6159
P5114
P8149
P1913
P2513
P8455
P286
P6050
P5023
P12609
P2362
P7110
P4926
P4170
P7593
P1485
P1507
P8500
P6992
P5271
P7046
P2552
P7583
P8142
P2956
P1554
P2895
P5623
P4979
P3741
P8272
P3099
Atom HB3 of residue 65
P6332
P7846
P3663
P2245
P4313
Atom HD2 of residue 72
Atom H of residue 12
P29
P1903
P6367
P5180
P9379
P1397
P8291
P10572
P4
P6043
Atom NH1 of residue 54
P8548
P4021
P5972
P2782
Atom C of residue 48
P1487
P1485
P3023
P7560
P3733
P4302
P8073
P5546
P8143
P4748
P2796
Atom CB of residue 1
P3688
ListSingletonContainer23
P3955
P5309
P8369
P4172
P2208
P6356
Atom CB of residue 14
P4279
P7456
P3322
P5615
P7263
P1555
Atom HG of residue 65
Atom CG of residue 49
P2359
Atom NH1 of residue 72
P3183
P4927
P6160
P5115
P1396
P8150
P1398
P1982
P12610
P0
P2363
P3894
P3745
P1914
P8273
P5024
P4171
P287
P1508
P7111
P5272
P2514
P8442
P2957
P2896
P5624
P4980
P1490
Atom HG2 of residue 33
P3100
P6051
P7047
P6333
P8456
P7847
P3664
P4314
Atom HB2 of residue 1
P10573
P7594
Atom NH2 of residue 54
P6368
P5181
P4022
P9380
P6993
P7584
P1487
P2246
P3734
P4303
P2553
P2
P1556
P3956
P1557
Atom OG of residue 91
P30
P1904
P3742
P2783
P3024
P5973
P6044
P5547
P8144
P2797
P1399
Atom N of residue 66
P1355
P5310
Atom NH2 of residue 72
P8074
P8292
P1397
P4173
P7561
P6357
P3689
P4280
P7457
P3323
P8549
P5616
P4749
P8370
P7264
P3895
P4928
P6161
P5116
P6052
Atom CD of residue 49
P8443
P1983
P12611
P1
P3184
P2209
P4172
P8457
P7585
P5273
P7048
P5025
P8151
P7112
P1915
P2958
P2897
P5625
P4981
P288
P3101
P2554
P6334
P7848
P2364
P3665
P1509
P4315
P1557
P1356
P2515
Atom HG3 of residue 33
P3743
P6369
P5182
P8274
P6994
P1558
P7595
P4304
P4023
P1400
THR
Atom HD21 of residue 60
P6045
P8293
P2247
P10574
P1406
P2784
P8497
P3025
Atom O of residue 19
P9381
Atom CD1 of residue 8
Atom CG2 of residue 36
P5548
Atom CA of residue 92
P8550
P1905
P8145
Atom OG1 of residue 22
P2798
P5974
P3957
P5311
P1
P31
P8075
Atom N of residue 10
P4174
P6358
P3735
Atom HD11 of residue 8
Atom H of residue 72
P4281
P7458
P3324
P5617
P7265
P12612
P7562
P4929
P6162
P5123
P3690
LEU
GaussianProcessInterpolationRestraint 3
P1558
P1410
P3185
P2210
P4173
P1413
P6053
P8471
P5274
P8152
P1916
P2959
P8275
P5026
P2898
P5626
P4982
P0
P2365
P7113
P6335
P8444
P7849
P7586
P3666
P4750
P4316
P1984
P289
P3744
P6370
P5183
P7049
P8458
P7596
P1510
P8498
P3102
P2563
Atom CA of residue 10
P3958
P2516
P3896
P2248
P5117
P2785
P3645
P138
Atom HB2 of residue 74
P3026
P6359
P3736
P4024
P9382
P10575
Atom HD22 of residue 60
Atom CD1 of residue 36
P5549
P8146
Atom OE1 of residue 49
P1411
P5312
Atom H of residue 2
Atom CA of residue 66
P1556
P6046
Atom CD of residue 6
P4175
P8372
P7563
P1559
Atom O of residue 2
P8076
P8447
P4282
P3325
P8294
P1906
Atom O of residue 50
P5618
P1402
P6995
P12613
Atom HD11 of residue 30
P3186
Atom CB of residue 77
P6163
P8551
P1920
P2799
P2555
P3691
P4988
P4930
P4305
P5975
P7050
Atom CD of residue 72
P4174
P1516
P4751
P5275
P7459
P2960
P4025
P8459
P2899
P5627
P2211
P3103
P6054
P5027
P6336
P8153
P7850
P3667
P7114
P8371
P4317
P1985
P7597
P1955
P2366
P6371
P7266
P5184
P5118
Atom N of residue 65
Atom HB3 of residue 74
P7587
P8472
P6047
Atom NE of residue 68
P32
P290
P8276
Atom NE2 of residue 49
P3959
P2249
P6996
P2786
P3027
P6360
P1567
P2517
P5550
P8295
P10576
P1403
P5313
P3897
P8499
Restraint 155
P9383
Atom N of residue 61
P3646
Atom H of residue 36
P8552
P4176
P8147
P3737
P5976
P2556
P4283
P3326
Atom CB of residue 50
P5619
P8077
P3746
P3187
P4026
P6164
P4306
P1559
P1907
P4752
P7267
P2800
P8473
Atom HA of residue 23
Atom H of residue 42
P1543
Atom CG of residue 77
P7564
P12614
P4989
P1956
P4931
P1571
P4175
P6055
P3692
P1404
P5276
P8154
P2961
Atom C of residue 66
P2900
P5628
P1578
P7051
P6337
P8448
P7851
P7588
P3668
P1955
P4318
P8277
P5028
Atom HB3 of residue 63
P7598
P7115
P6372
P5185
P5119
ListSingletonContainer302
P1923
P3104
P7460
P132
P2367
P1541
Atom OD2 of residue 52
P3964
P2557
P8460
P3898
P8500
P2212
P2787
P291
P3028
P3738
P9384
P6997
P1986
P6048
P5551
P8148
P4753
P2250
P5314
P3
P7565
P1572
P10577
P3601
P4177
P6361
P5977
P1405
P2518
P4284
P3327
P5620
ILE
P1560
Atom HG2 of residue 74
P3188
P8374
P4027
P4932
P6165
P4307
P8474
P8078
P8296
LEU
Restraint 156
P7268
Model 279
Atom C of residue 65
P12615
P8553
P3747
P4176
P1579
P3693
P3960
P5277
P4986
Linear1DFunction 10
P2962
P2901
P5629
P1908
P1513
P2801
P3105
P6338
P7461
P7852
P3669
P1
P8461
P6373
P1918
P5186
P5125
P6056
P7052
P5029
P8155
P3899
P7116
P8373
Atom N of residue 50
ListSingletonContainer303
P8445
P7599
Atom HG12 of residue 23
P2368
P1897
P7589
P2788
P1561
P3029
P8278
P3739
P1987
P4308
P5552
P133
P8149
P2213
Atom CG of residue 52
P2558
P5315
P292
P1565
Atom O of residue 66
P6049
P4178
P2251
P4319
P6362
P6998
P10578
ListSingletonContainer466
P4285
P1923
P3328
P8501
P5621
P9385
P8554
P3189
P7566
P4028
P4933
P6166
Atom O of residue 65
P5978
P7269
Atom H of residue 49
P3602
Atom HG3 of residue 63
P2519
P8079
Atom HG3 of residue 74
P4754
Model 374
P8475
P12616
P4987
P3748
P5215
P6057
Atom CB of residue 20
P4177
P7462
P3694
P5278
P7600
P2963
P1566
P2902
P5630
P7590
P2802
P3106
P7053
P6339
P1562
P7853
P3670
Atom O of residue 39
Atom CB of residue 66
P3961
P1909
P6374
P1576
P1893
P5187
P5979
Atom CD of residue 11
P3900
P8279
P3740
P5030
P8156
P2369
P7117
P4309
P2559
P141
P8361
P296
P2789
P1899
P3030
P4320
SER
P8462
P6050
P5553
P8150
P8502
P2214
P5316
P130
P6999
P1988
Atom HD2 of residue 63
P4179
Atom OD1 of residue 52
P6363
Atom HA of residue 49
P4286
P7463
P3329
P5622
P4755
P1570
P10579
P2
P3190
P2252
P4029
P9386
P4934
P6167
P8446
P7270
P3603
P2520
P8362
P8376
P7567
P8080
P12617
P1563
P1924
P3749
P4178
Atom CB of residue 39
Atom OG1 of residue 66
P3962
P5279
Atom CG of residue 74
P8555
P3901
P1593
P2964
P0
P2903
P5631
P3107
P6058
P6340
P7854
P3671
Atom OG of residue 20
P7601
P6375
P5188
P5980
Atom HB2 of residue 49
P7591
P3695
P8463
P5554
Atom HB of residue 22
P1910
P1894
P4321
P5121
Multivariate Normal distribution 36
P7054
P5031
P8157
P297
P7118
P8375
P2803
Atom O of residue 76
P2790
P131
P2370
P4756
P1993
P4310
P2560
P5317
P8280
P4180
P6364
P3741
P2390
P4287
P7464
P3330
P8363
P1865
Atom C of residue 41
P5623
P3031
Atom HD3 of residue 63
P6051
P8151
P3750
P3191
P7568
P4030
P4935
P7000
P6168
P10580
ListSingletonContainer467
Atom HB3 of residue 18
P8503
P2215
Atom CG of residue 39
P9387
P8477
P139
P8556
P3902
P2253
P12618
P7271
P3604
P4179
P8081
P5280
P2521
P1925
P6376
P1580
P2965
P3963
Atom CG of residue 42
P7055
P2904
P5632
P3108
P6341
P7855
P4322
P5189
P5981
P6059
P3696
P7602
P5555
P3672
Model 87
Atom N of residue 41
P5122
P4311
P8476
P6
P7592
P2804
P8281
P2791
P5032
Atom HA of residue 63
P8158
P6052
P140
P1911
P7119
P1895
P3745
P4757
P5318
P2035
Atom HA of residue 25
P8464
P4181
P8504
P6365
P4288
Linear1DFunction 6
P295
P1866
Atom O of residue 41
P5624
P3032
P7001
P8152
P3192
P4031
P4936
P6169
Atom CG2 of residue 66
Atom HG3 of residue 18
P2371
P7272
P10581
P2561
P1
P2391
P7465
P3331
P3903
P2254
Atom H of residue 40
P9388
P12619
P3751
P2216
P3742
P4180
P8364
P8378
P7569
P5281
P8082
Atom CA of residue 45
P1926
P6377
P3605
P142
P1531
P2905
P5633
Model 339
Atom H of residue 61
P3109
P6060
P6913
P6342
P2186
Atom O of residue 57
P7856
P8557
P3673
P1582
P4323
P3699
Atom HB3 of residue 49
P2522
P7603
P5190
P2966
P5982
P7056
P7593
P5216
P2
P1992
P3965
Atom HB2 of residue 25
P2792
P1912
P5033
P8159
P5556
P7120
P4758
P2
P8377
P2562
P5319
P1896
P6914
P6053
P141
P4182
P6366
P4289
P7466
P3332
P8299
P5625
P3033
P2805
P7570
P3193
P3743
P4032
P4937
P6170
Atom N of residue 19
P7273
P4312
P8153
P3904
P2255
P7002
Atom H of residue 66
P10582
P12620
P147
P2372
P3752
P8505
P2217
Atom HD12 of residue 61
P9389
P8479
P4181
Atom CB of residue 57
P8558
P3674
P8283
Atom HG2 of residue 49
P5282
P2392
Atom C of residue 45
Atom HG3 of residue 40
P8083
P8468
P2906
P5634
P2
P1867
P3110
P2
P6343
P1927
P7857
P4324
P5217
P3606
Restraint 109
P6378
P5191
Atom HA of residue 40
P2967
P1532
P5983
P6061
P7057
P2579
P2523
Atom OE1 of residue 18
P3701
P2793
P140
P7604
P134
Atom HA of residue 61
Atom CG2 of residue 55
P8478
P5557
P8300
P8559
Model 194
P7594
P5034
P5320
P8160
P1913
P7121
P1897
P3966
P8469
P4183
P6367
P4313
P4290
P7467
P3337
P5626
P4759
P3034
Atom HG3 of residue 49
P6054
P8154
P3753
P3194
P8506
P8282
P3744
P4943
P6171
P7274
P2806
P7003
P3905
Atom HG11 of residue 17
P7571
P12621
PRO
P4033
P10583
P6916
P4182
P9390
P5283
Atom HD13 of residue 44
P8301
P2373
P1868
P2968
P6062
P2907
P5635
P2
P8380
P3111
P6344
P8084
P7605
P7858
P3675
P2256
P4325
P3703
Atom HE21 of residue 40
P2393
P3
P6379
P5192
P5984
P7058
P1928
Atom HG of residue 50
P3607
P1523
P2218
P3967
P2794
Atom OG of residue 57
Atom H of residue 55
P5126
Atom C of residue 18
P5558
P70
P3338
P4760
P4314
P5321
P2524
P8465
P7595
P1479
Atom HA of residue 66
P5035
P8161
P6055
P4184
P7122
P8379
P6368
P4944
Atom HB of residue 44
P7468
P148
P1914
P5627
P3035
P1898
Atom CA of residue 19
P3195
P4034
P6172
P6917
P8248
P4291
P0
P3906
P12622
P5636
P3754
Atom HG12 of residue 61
P2807
P4183
P7864
P8155
P3676
Atom HG12 of residue 17
P7572
P7004
P10584
P3700
P5284
P2374
P8507
P7275
P2969
P9391
P8481
P2564
ListSingletonContainer304
P3112
P6345
P2257
P1480
P8085
P6380
P5193
P5985
P2908
P1869
Atom HD11 of residue 50
P3746
Atom HA of residue 3
P3608
Atom HE22 of residue 40
P7606
P8251
P4326
P4315
P1929
P1318
P3968
P5127
Atom HE21 of residue 49
P7059
P1524
Atom HG12 of residue 44
P5559
P71
P5322
P2394
P7596
P2219
Atom HA of residue 55
P6063
P8480
P2795
P3335
P149
P4185
P6369
P5036
P8162
P7123
P5628
P4761
P3036
P6915
P2525
Atom HG2 of residue 18
P3755
P3196
P1481
P4035
P6173
P7865
P1915
P2049
Atom C of residue 41
P1899
P2365
P6056
P7469
P8250
P3907
P8508
P7573
P4941
P2565
P12623
Atom C of residue 53
P5637
P7005
Atom HB of residue 66
P4184
P3677
Atom H of residue 3
P5285
P4292
P8156
P7276
P2808
P2970
P2
P10585
GLY
P0
P8302
P9392
ListSingletonContainer305
P6346
P7060
P6381
P8382
P5194
P5986
P2909
P3113
P3609
P4327
P6064
P5323
P1870
Atom HD12 of residue 50
P7607
P2375
P2258
P3747
P5128
Atom HG13 of residue 44
P5560
P1930
P7597
P4316
P6057
P2220
Atom HE22 of residue 49
P3969
P2796
P8086
P4
P3336
P8303
P4186
P6370
P7470
P72
P5629
P4762
P3037
P1321
P5037
Atom OD2 of residue 119
P8163
P3756
P3197
P7124
P8381
P4036
P4942
P6174
Atom HG1 of residue 66
P1525
P150
P1916
Atom HD2 of residue 42
P4293
P2366
THR
P3908
P2050
P6918
P2526
P12624
P5638
P1900
P4185
P2395
Atom O of residue 53
Atom CB of residue 6
P1468
Atom HD23 of residue 8
P5286
P2566
P2971
P2910
P7862
P8349
P8157
P7574
P7006
Atom CE1 of residue 45
P3114
P10586
P6347
MovedSingletonContainer9
P3678
P8509
P7277
P2809
P9393
P8483
P145
P6382
P5195
Atom HG1 of residue 55
P8087
P7608
P2040
Atom NH1 of residue 42
P4328
P6065
P7061
P8304
P1871
P2797
P3748
P5129
P5987
P3610
P5561
P1931
P7598
Atom HD13 of residue 50
Atom N of residue 38
P4317
P5324
P2259
Atom HG21 of residue 66
Restraint 584
P3970
Atom HG21 of residue 44
P4187
P6371
P4294
P7471
P2376
P2221
P5630
P4763
Atom HE1 of residue 45
P8482
Atom N of residue 120
P6058
P3198
P4037
P6175
P6919
P5038
P1526
P8164
GLY
P2042
P7125
ASP
P7575
P73
P3909
P3038
P12625
P2364
P5639
Model 0
P8350
P8197
P3757
P8246
P1901
P4186
P7863
P1917
P3679
P8510
Atom C of residue 21
P5287
P7278
P2972
P7007
P2567
P2527
P2396
P3
P2911
P1469
P3115
P6348
Atom O of residue 30
P180
P8158
P10587
P6383
P5196
P9394
Atom CE2 of residue 45
P1349
P8088
P8384
P4329
P4318
P5325
P2810
GLY
Atom HG22 of residue 66
P2798
P8247
P3749
P5130
P5988
P6066
P7062
Atom HB2 of residue 18
P5562
P1932
P8305
P1872
P4764
P4
P7609
Atom CA of residue 16
P3971
P6920
P67
P7599
P6372
P1
P143
P4295
P7472
P5631
P2260
Atom O of residue 21
Atom CD2 of residue 8
P2043
P3758
P3199
P4038
P6176
P2612
P3611
P2377
P4188
P2222
P5039
P8165
P6059
P3910
P7126
P3039
P8383
P12626
P5640
P8198
P1470
LEU
P4187
P3680
P7576
P5288
Atom CB of residue 30
P2973
P6067
Atom CG of residue 129
P1527
P2912
P6913
P1918
Atom CD of residue 27
P1902
P3116
P6349
P2391
P8351
P8159
P6384
P5197
P7008
Atom HG23 of residue 66
P10588
P2528
P7610
P7279
P3750
P8485
Atom HB3 of residue 18
P7600
Atom C of residue 50
P4330
Atom H of residue 45
P4319
P7063
P5326
P3972
P2799
P8089
P5131
P2397
P5563
P181
P1873
P6914
P8512
P5989
P6921
P4189
P2811
P6373
P9395
Atom CA of residue 53
P2613
P7473
P5632
P4765
P3040
P3
P6060
PairsRestraint 11
P3200
P1471
P4039
P6177
P68
P1933
P2378
P2261
P8484
P4296
P3911
Atom CA of residue 66
ListSingletonContainer24
P5040
P3612
P146
P8090
P8166
P12627
P5641
P3759
P2223
P7127
P4188
P3681
P5289
P8352
P8194
P8248
P2974
P6068
Atom CA of residue 50
ListSingletonContainer469
P2913
P2036
P7577
P3117
Atom HA of residue 63
P6350
P4331
P7009
Atom CD1 of residue 129
P1528
Atom CG of residue 27
Atom CE of residue 27
P6385
P1903
P5198
P2816
P2804
Atom HG23 of residue 7
P178
P8160
P10589
P2392
P8511
P7280
P9396
Atom C of residue 67
P4320
LEU
P1472
P3973
P2529
P2398
P7611
P8307
P1954
P8386
P3751
Atom HA of residue 45
Atom C of residue 53
P5132
P5990
P5564
P48
P7601
P1565
P2041
Atom CG of residue 1
P8249
P7064
P4190
P6374
Atom C of residue 50
P7474
P5633
P4766
P3041
P3760
P3201
P4040
P1934
P4297
GaussianProcessInterpolationRestraint 24
P2
P3613
P8091
P12628
P5642
P6916
P2379
P1874
P2224
P2262
P5041
P8167
P6061
P8306
P3682
P7128
P8385
P7578
P5290
P6922
P5327
P8195
P3912
P1473
P2975
P6069
P2807
P2914
phys
P8265
P6178
P3118
P2568
P6351
P4189
P4332
P1529
P6386
P5199
P144
P2367
P2049
P3752
P7065
P8353
P8161
P9397
P7010
P10590
P1904
P7281
P8487
P1566
P5133
P2399
P5565
P2530
P7612
P1540
Atom O of residue 53
Atom CA of residue 67
P3974
P8309
P179
P7602
P8387
P6375
P6062
P7475
P5634
P4767
P3042
P4321
P5991
P6923
Atom HB2 of residue 20
P38
P6917
P3202
P4041
Atom HB3 of residue 63
P0
P8201
P4197
P3913
P8092
P12629
P5643
P3761
P2225
Atom HA of residue 28
P6179
P8486
P4190
P5291
P5042
P8168
P4298
P1994
P2380
P7129
P1474
P2976
P6070
P2915
P3119
P2569
P6352
P8354
P1875
P3683
P2263
P4333
P3614
P1935
P1920
P6387
P5200
P7579
P9
P2368
P176
P7011
P5328
P2815
P2803
P1562
P8162
P8250
Atom CD1 of residue 75
Multivariate Normal distribution 3
Atom C of residue 67
P10591
Atom O of residue 50
P3975
P7613
P2050
Atom HD2 of residue 72
P7282
P6376
P3753
P9398
P5134
P7066
P1530
P5566
P7603
P4768
P1905
Atom CB of residue 22
P8388
Atom HG2 of residue 63
P2400
P7476
P6915
P5635
P3043
P6925
P2531
P10
P3762
P3203
P4042
P5992
Atom HA of residue 39
P4196
P8239
P4299
P4198
P3914
Atom NH2 of residue 114
ListSingletonContainer306
P8093
P12630
P39
P7580
P9399
P6180
Atom NH1 of residue 72
P4322
P5292
P1762
P8211
P8325
Atom HB1 of residue 28
P1475
P2977
P5043
P8169
P2916
P5644
P1995
P8308
P7130
P3120
Atom CB of residue 50
P2570
P5329
P6353
P2381
P1876
P3684
P4334
P6071
P6063
Atom C of residue 43
P2226
P6388
P5201
P2369
P155
P3615
P2044
P2264
P3976
P1936
P8355
P8163
P6377
P3754
P7012
P5135
Atom O of residue 67
P10592
Atom HB2 of residue 39
P5567
P5636
P4769
Atom CD2 of residue 75
P7283
P8489
Atom N of residue 115
P7067
P1540
P4197
P2401
P1563
P7614
P7477
Atom NH2 of residue 72
P8251
P3044
P1906
ListSingletonContainer25
P6926
P8310
P7604
P3763
P3204
P8389
P4043
P4323
P5993
P2532
P4300
P6918
P4195
P3915
P12631
P5645
P1535
P9400
Atom CG of residue 50
ListSingletonContainer307
P6064
P8199
P5293
P8094
P5202
P2978
Atom HA of residue 25
P6072
P8488
P2917
P40
P1996
P2386
P7581
P6181
P8240
P3121
P2571
P6354
P8170
P7131
P1476
P5330
P3685
P2227
P6389
P8356
Model 427
P3755
P3616
P8326
P4336
P7615
P1877
MovedSingletonContainer5
LYS
P7013
P2370
P7605
P5136
Atom CA of residue 115
P7068
P5044
P5568
P8311
P1307
P8164
P8252
P5637
P2265
P10593
P1937
P8390
P7284
P3977
P6378
P4324
P4301
P7478
P2045
P156
P4196
P4770
P3045
P2402
P5
P6919
P3205
P4044
P1564
P1306
P1907
P4335
Atom CB of residue 67
P6924
Atom CD of residue 72
P8200
P3916
P8327
P1484
Atom HB2 of residue 25
P5994
P8095
P12632
P5646
P3764
P9401
P6065
P2450
Restraint 138
Atom H of residue 9
P5294
P1757
P5331
P149
P2533
P1536
P5203
P2979
P6073
P2918
P6182
P3122
Restraint 93
P2572
P6355
P5045
P4195
P8171
P1997
P3686
P7132
P6390
P7582
Atom CA of residue 46
P8232
P2232
P3756
P1350
P1878
Model 108
Atom CD1 of residue 50
P3978
P5137
P5332
P5569
P5638
P4771
P2266
P4325
Atom NE of residue 72
P7616
P6920
P8357
P8165
P7014
P10594
Atom H of residue 72
P7606
P7285
Atom CA of residue 116
P1493
P6379
P8237
P8491
P1938
P2046
P3046
Atom HB3 of residue 25
P7069
P3617
P8234
P3206
P4045
P1568
P157
P2395
P4101
P8328
P8253
P1533
P4302
P2371
P7479
P41
P3921
P8096
P2403
P12633
P5647
P3765
P9402
P5995
Atom CG of residue 67
Model 34
P5295
P6927
P2980
P6074
Atom C of residue 34
P6066
P2919
Model 155
P1908
P7583
P6183
P3123
P2573
P6356
P2534
P1537
P3687
P8238
P2880
P8490
P5046
P6391
P5204
Atom C of residue 46
P1758
P8172
P8235
P2384
P7133
P1998
Atom CA of residue 26
P4326
Atom CZ of residue 72
P8358
P7070
P42
Atom HA of residue 72
P3757
P5138
P147
MET
P5570
P1879
P3917
P5639
P4337
P7015
P5333
ListSingletonContainer470
P6921
Atom CB of residue 9
P3979
P8393
P8166
P2233
P8254
P2267
P6380
P10595
P4303
P6067
P7617
P7480
P1939
P4772
P3047
P7286
P1541
P7607
P2396
P4046
Atom O of residue 34
P1569
P8237
P158
P4104
Atom HD21 of residue 25
Atom CD2 of residue 50
P6928
P8097
P2404
P12634
P2372
P5648
P3766
P3207
P8329
P3618
ListSingletonContainer309
P2047
P3688
PairsRestraint 7
P1482
P5996
P5296
P2537
P2981
P9403
Atom HG22 of residue 55
P2920
P6184
P3124
P2574
P6357
ListSingletonContainer468
Atom OG1 of residue 9
P6392
P1909
P5205
P8248
P1759
Atom HB2 of residue 72
P3758
P6075
P5047
P8173
P8238
P7584
P4327
P2881
P5334
P3980
P1999
P5139
Atom HD2 of residue 72
P2535
P5571
P1823
Atom C of residue 26
P5640
P152
P7618
P7071
P43
P1880
P7608
P4338
P1483
P6381
ALA
P6068
P8359
P8167
P3918
P7134
P4773
P3048
P7016
P10596
P2268
P4047
P8249
P5048
P1940
Atom HG21 of residue 3
P2373
P8239
P7481
P4099
Atom HG23 of residue 55
P8394
P12635
P5649
Atom NZ of residue 11
P3767
P3208
P2229
P8255
ScoreState 3
P9404
Atom HD22 of residue 25
P3619
P6922
P159
P2397
P5297
Atom NH1 of residue 72
P8
P7585
P2982
P5997
P2921
P2048
Atom HB3 of residue 72
P1826
P7287
P6185
P3125
Atom CG of residue 34
P1763
P2575
P6929
P6358
P8098
P1543
P6393
P5206
P2851
P8265
P6076
P4304
P1910
phys
P4328
Atom N of residue 67
P8174
P8312
P7135
P3981
P8395
GeneralizedGuinierPorodFunction 47
P4339
P3759
P5140
P5572
P8360
P3919
P5641
P5335
P2405
P1567
P1308
P2000
Atom HB2 of residue 68
P3689
P6382
P7017
P2536
P6069
P6923
P4774
P3049
Atom N of residue 4
P1767
P7072
Atom N of residue 56
P1881
P8168
P4100
P3209
P8256
P10597
P5049
P7619
P44
P7288
Atom H of residue 50
P6930
P7
P2374
P7482
P7609
P8331
P2269
P12636
P5650
P1941
P3768
P4048
P9405
P6359
P8197
P1827
P5298
Atom HD3 of residue 38
P2983
P3620
P148
P2922
P2398
P6186
P3126
P5998
P2576
P8099
P2406
P4305
P160
Atom HB3 of residue 68
P4340
Atom HG2 of residue 1
P6394
P5207
P7586
AngleSingletonScore0
P3760
Atom HD22 of residue 50
P4329
P5336
P8396
P3920
P2052
P8330
P7136
P6077
P3982
P1768
P8175
P3690
P1911
P7018
P5141
P2852
P7620
P5573
P5642
P4775
P2001
P7610
P8250
P7073
P6383
P6070
P7483
P8198
P6925
P8313
P3050
Atom HD13 of residue 23
LEU
P1542
Atom HG13 of residue 17
P1882
P3210
P4049
P5050
Model 135
P8490
P8169
P7289
P10598
Atom HA of residue 50
Atom HG2 of residue 72
P12637
P5651
P161
P3769
P6360
Atom HZ1 of residue 29
P2270
P5299
P6931
P1942
P8257
P2984
P2923
P6187
P3127
P2577
P4306
P2399
P2056
Atom N of residue 39
P4341
Atom N of residue 26
P5999
P3621
P2407
Atom HA of residue 7
P6395
P5208
Atom CG2 of residue 3
P8100
P2375
P6078
P7587
P3983
P1912
P3761
P9410
P5142
P8397
P8176
P5574
P8314
P7137
P5643
Atom N of residue 24
P4330
P5337
Atom CA of residue 56
P45
P2002
P1824
P3691
P2853
P8491
P6384
Atom HB2 of residue 50
P7621
P7484
Atom NE2 of residue 31
P6926
SingletonModifier 0
P4776
P3051
ListSingletonContainer26
P2538
P1883
P7611
P3770
P3211
P4050
P7019
P1761
P5051
ListSingletonContainer473
P6071
ListSingletonContainer4
P7074
Atom H of residue 11
Atom HG21 of residue 17
P8170
P8258
P8251
P10599
P12638
P5652
P3922
P2058
P7290
Atom HD2 of residue 4
P4307
Atom HG3 of residue 72
P8333
P7138
P2271
VAL
Atom CZ of residue 4
P5300
P2985
Atom HZ2 of residue 29
P2924
P8194
Atom H of residue 68
P6188
P3128
P2578
P6932
P6361
P8101
P46
P1943
ASP
P4342
P9406
P6396
P5209
P7588
P6000
P8315
P3762
P0
P3622
P2400
P4331
Atom HD12 of residue 71
P2408
P18
Atom N of residue 32
P7291
P5143
Atom HB3 of residue 50
P2376
P5575
P162
P8332
P6079
P5338
P8177
P1913
P2854
P3984
P2032
P6385
P4308
P6072
P3692
P5644
P4777
P3052
P8252
P7075
P3212
P4051
P7020
P7622
P6924
P1825
Atom CA of residue 26
P7485
P2003
P7612
P9407
Atom HA of residue 36
P5052
P1367
P2539
P12639
P5653
Atom H of residue 31
P8492
P1884
P8171
P3923
P3771
Atom HA of residue 68
P10600
P7139
P2272
P5301
P2986
P2925
P8195
P6189
P3129
P2580
Restraint 381
P6362
P1944
P3
P8259
P4343
Atom HE2 of residue 4
P6397
P5210
P6080
P3693
Atom C of residue 26
P6001
P3623
P59
P1341
P2401
P4332
P6933
P5339
P8102
P1828
P7292
Atom CA of residue 4
P3985
P8399
Atom HB3 of residue 19
Atom CA of residue 22
P7589
P3763
P5144
P2034
P5576
P5645
Atom HB2 of residue 71
P2409
P9408
P8178
P2377
P8316
P2053
P6386
P1369
P4309
P6073
P7623
P7486
P163
P4778
P3053
P1914
P2855
Atom HB of residue 36
P7076
P8493
P7613
P3213
P5053
P1344
P17
P2004
P7021
P12640
P5654
P3924
P3772
P4052
P2581
P8398
P6927
P8172
P3694
P7140
P8260
P8253
P10601
P5302
Atom HB2 of residue 20
Atom HG22 of residue 13
P2987
P2540
P2926
P4
P8335
P6190
P3130
P6363
P1945
P4344
P7590
P1885
P6398
P5211
Atom HG of residue 50
P6934
Atom HG2 of residue 19
P2273
P3624
P1370
P8210
Atom N of residue 66
Atom HG3 of residue 63
Atom CA of residue 18
P4333
Atom HB3 of residue 71
P6002
P1829
P2402
P7293
Atom O of residue 26
P1309
P6081
P8103
P8317
P3764
P5145
P5577
P5646
P4779
P5340
P9412
P3986
P2378
P8334
P6387
P8179
P6074
P3054
P2856
P3214
P7022
P2582
P5054
P3
P1915
P8254
Atom HG12 of residue 36
P1987
P7077
P4310
Atom O of residue 22
P7487
P6928
P12641
P7624
P3925
P3773
P4053
P2410
Atom HD3 of residue 72
P7614
P3695
P7141
Atom C of residue 35
P5303
P1363
P2005
Atom CA of residue 66
P8494
P8173
P2988
P10602
P2927
P5655
P47
P2054
P6191
P3131
P6364
P4345
Atom CA of residue 31
P181
P1886
P6399
P5218
P9409
P6935
P2541
Atom CD of residue 18
P8261
P2274
P2547
P8211
P7591
P4334
Atom HD11 of residue 50
P5341
P7294
P6003
P3987
ListSingletonContainer483
P1946
P164
Atom HD2 of residue 63
P3765
P5146
P8104
P5578
Atom C of residue 24
P5647
Atom CE2 of residue 28
Atom CB of residue 26
P6082
P8401
Atom H of residue 36
P2403
P3625
P7625
P6388
P0
P4311
P7488
P7615
P4780
P3055
P7078
P8180
P2379
P3215
P5055
Atom HE of residue 72
P1916
Atom CG2 of residue 66
P8495
P5212
Atom C of residue 31
P12642
Atom CA of residue 36
P6075
P165
P3926
P3774
P0
P3696
P4054
P7023
P5304
P38
P2989
P2583
Atom HD12 of residue 23
P8400
P2411
P2928
P5656
P6929
P8174
P7142
Atom C of residue 19
P8262
P6192
P8255
P3132
P10603
P2857
P1988
P6365
P2544
P1
P4346
P8199
P2055
P8337
P6400
Atom CD1 of residue 28
P49
P3766
P2006
Atom CG of residue 70
P4335
P6936
P6083
P1947
P7592
P5147
P6004
P5579
P1887
Atom O of residue 24
P5648
P7295
P5342
P8105
Atom HD3 of residue 63
P2404
P2275
P3988
P3626
Atom HA of residue 23
P2542
P4990
Atom HH11 of residue 72
P6389
P9411
Atom CG2 of residue 26
P151
P4312
P8319
P4781
P5213
Atom HD12 of residue 50
P3216
P8336
P8181
P7626
P2
Atom O of residue 19
P2380
P7489
Atom HA of residue 66
P166
P7616
P3056
Atom O of residue 31
P12643
P36
Atom HA of residue 36
P6076
P3927
P3775
P8256
P7079
P6937
P3697
P7143
P1917
P7024
P5305
P5056
Atom C of residue 36
P8200
P2990
P2611
P4991
P2929
P5657
P5
P6193
P3133
Restraint 165
P6366
P6930
P8496
P8175
P2059
P4347
P4055
P10604
P8318
Atom HA of residue 24
P6401
P1989
P2412
P1
P7593
P4336
P2858
P5343
P8263
P7296
Atom HB of residue 23
P50
P2007
P4
P3767
P5580
P5649
Atom CD of residue 70
Atom CG1 of residue 26
P6005
Atom HD13 of residue 50
P3989
P8106
P1888
P6390
P6084
P8403
Atom CA of residue 64
P4782
P2276
P5214
Atom HB of residue 36
P1948
P4105
P3217
P2543
P4992
P5148
P8182
Atom O of residue 36
P7490
THR
P8320
P3057
P3627
P12644
P7627
P5658
P3776
Atom N of residue 4
ALA
P6938
P2381
P7617
P3698
P5
P7144
P4056
P3
P5306
P7080
P5057
P6077
Atom NE2 of residue 2
P2991
P2930
P3928
P2060
P1918
P7025
P6194
P3134
P6367
P4313
P0
P4348
P8402
P6931
P167
P2405
P8176
P8264
P6402
P8257
P10605
ListSingletonContainer311
P9413
P2413
P8339
P4337
P6085
P2859
Atom HD21 of residue 50
P1990
P5344
UnaryFunction24
P77
Atom HH12 of residue 72
P8365
P7297
P3990
P2008
P3768
Atom HD13 of residue 8
P5581
P5650
Atom HG21 of residue 7
P7594
P6006
P1889
P6391
P5149
P8107
P3058
P5219
Atom HG2 of residue 1
P4
P1949
P4106
P3218
Atom CA of residue 28
P4994
P7628
P2406
Atom NZ of residue 96
P156
P7491
P7618
P8338
P4783
P8183
P12645
P6078
P5659
P3777
P2277
P4057
Atom H of residue 26
P2381
P6939
P4314
P8321
P3699
P7145
PairPredicate 4
P7026
P5307
P2992
P8258
P7081
P2382
P2931
P3929
Atom CA of residue 48
P6195
P3135
P5058
P3628
P6368
Atom CB of residue 42
GaussianProcessInterpolation13
P4349
Atom HH21 of residue 72
P6403
P6932
P8177
P2057
P1919
P3769
P9414
P10606
Atom HG3 of residue 11
P4338
Atom HB2 of residue 56
P168
P7298
P2860
P1991
P2414
P5582
P5651
P6086
P5345
Atom C of residue 65
P1950
P3991
Atom N of residue 21
P7595
P6392
P5150
P6007
P2382
P4315
Atom HB of residue 26
P7492
P8366
P4784
P3571
P5316
P1
P8108
P2009
P3219
P1321
P8405
P4995
P2545
P4103
P2407
P12646
P1890
P3778
P6940
P8184
P78
P3700
P5308
P5059
P7629
P1950
P2993
Atom HA of residue 26
ListSingletonContainer310
P2383
P2932
P5660
P7619
P3930
P6196
P3136
P2
P7082
P6369
P6079
P2278
P4350
Atom HD2 of residue 11
P8367
Atom O of residue 48
P7146
P6404
P7027
Atom HB3 of residue 56
P2089
P9415
P8404
P8178
P8259
P4339
P10607
P3629
P1920
P4058
Model 414
P8341
P3770
P1439
Atom HG11 of residue 26
P5583
GLY
P5652
von Mises sufficient 2
P5346
P169
ALA
P2861
P3992
P1992
P7299
P7596
P6393
P6087
P155
P2415
P6933
Atom HH22 of residue 72
Atom O of residue 65
P3595
P6008
Model 280
P0
P7630
P3779
P3220
P5
P2358
P8109
P7620
P5317
P5151
P4316
P6080
P7493
P2010
P4104
P12647
P4993
P8323
P4785
Atom HD12 of residue 3
Atom C of residue 47
P3701
P8340
P5309
P8185
P1891
P2408
P2994
P6941
P2384
P2933
P5661
P6197
P3137
P6370
P79
P1951
P8368
P2279
P4351
P8260
P7083
P7147
P6405
Atom C of residue 3
P4059
P7028
P5329
P3931
Atom C of residue 76
P4340
P5347
ListSingletonContainer312
Atom HG of residue 56
P6934
Atom HG3 of residue 64
P8179
P3597
P10608
P8322
P2090
P3771
P3630
P5584
Atom N of residue 73
LYS
P5653
P6088
Atom HA of residue 42
P1921
P7597
P2
P170
P0
P7300
P6394
P5328
P2862
P3221
P4786
P6009
Atom HD23 of residue 50
P3993
P9416
P5152
P1993
P8110
P2416
ListSingletonContainer474
P4317
P7494
P2011
P3596
P8407
P12648
P7631
P3780
Atom O of residue 47
P2359
P6942
P158
P7621
P3702
P5310
P6081
P1892
P2995
P8186
P4996
Atom HG3 of residue 33
P2934
P5662
P4191
P6198
P6371
P4352
P1
Atom N of residue 65
P2409
P2061
P8361
P6406
von Mises sufficient 3
P7084
P5330
P8369
P3932
Atom HB of residue 26
P3138
P80
P5095
P7148
P4060
P7029
P4341
P2385
P1952
P6935
P2280
P9417
P8406
P8180
Atom O of residue 76
P3772
P8261
P10609
P3631
P5585
Atom HD11 of residue 56
P5654
P5348
P8343
P4787
P7598
Atom N of residue 51
P3994
P6395
P4852
P20
P4318
P8362
P1922
GeneralizedGuinierPorodFunction 20
P2863
P3783
P3222
P7301
P6089
P3572
P5153
P6010
P7495
Atom H of residue 47
P8111
P12649
P1673
P5220
P6943
P2417
P4997
LEU
P171
Atom CA of residue 38
P5311
P7632
P8325
P2996
P1994
Atom HD2 of residue 33
P5663
P4192
P7622
P3933
P8342
Atom HG11 of residue 26
P1306
P6199
P3140
P6372
P8187
P6082
P3703
ARG
P54
P7149
P6407
P7030
P2360
P2935
P2012
P8262
P7085
P5120
P4353
P4342
Model 121
P5318
P5349
P2386
P3781
P2281
P9418
GLU
P1893
Atom H of residue 76
P3773
P4061
P6090
P5586
P6936
P8181
P2062
P8363
P10610
P8324
P4788
UnaryFunction2
P3139
P3995
P3632
P1953
P2410
P1924
P7302
Atom HD3 of residue 37
P6396
P4853
Atom HE22 of residue 41
P4319
P5655
P7599
P2864
P8499
P3223
P4107
P3573
Atom HG12 of residue 26
P5154
P7496
P1674
P6011
Atom HA2 of residue 47
P12650
P7633
Atom NZ of residue 27
P3934
P5221
P6944
P8112
Atom N of residue 62
P6937
P7623
P3704
P5312
Atom CG2 of residue 13
P8409
P6083
Atom NE2 of residue 2
P2997
P4062
P2936
P5664
LEU
P6200
P6373
P2418
P12
P5124
P172
P1995
P8188
P4998
Atom CA of residue 73
P8371
P6408
P4
P55
P4354
P1543
P7086
P5319
P7600
P9419
P7150
Atom N of residue 38
P3774
P7031
P6
P2361
P5587
P2013
P1957
P1925
P2282
P4343
P8500
P5350
P8408
P2387
P1894
P8182
P3782
P4789
P8263
P10611
P2063
P6397
P6091
Atom CA of residue 51
P4854
P4108
Atom C of residue 73
P8345
P8364
P5656
P3633
P8370
P2411
P3224
Atom HA2 of residue 75
P3996
P3574
P5155
P7497
P7303
Atom CG of residue 42
P12651
Atom CA of residue 28
P3935
P5222
P4063
Atom HG13 of residue 26
P6012
P6938
P3705
P1669
P2865
P5313
P154
P8113
Atom N of residue 5
P4320
P2998
Atom CA of residue 62
P2937
P5665
ARG
P6201
P6374
P7634
P8327
P4355
P1996
P6945
P1311
P11
P7624
P8344
P6409
P8189
P4999
P6084
P3775
P2419
P173
P1544
P7
P4344
P5320
P5351
P1
P1926
P9420
P8264
P3141
P7087
P5096
P7032
P5588
P2014
P1958
Atom CD1 of residue 73
P1895
P7151
P8299
P4790
P7601
P3997
P56
P8183
P2283
P6398
P10612
P4855
P7498
P8326
P5657
P2362
Atom HB of residue 55
Atom HB2 of residue 71
P3225
P4064
P6092
P1541
P3784
P1415
P5156
P8501
P3634
P2388
P7635
P2
Atom NZ of residue 27
P2064
P12652
P2069
P7625
P2412
P3936
P7304
P5223
P6085
P6939
P3575
P6013
P2866
P5314
P2999
Atom HG21 of residue 26
P153
P8114
Atom C of residue 62
P5666
P1670
P6202
Atom C of residue 51
Atom HD2 of residue 42
P6375
P8411
P3706
P4356
P6946
P6410
P3
P2938
P1997
P2420
P8190
P4321
P8373
Atom NE2 of residue 31
P8300
P5321
P5352
P174
ARG
P3142
Atom HG1 of residue 55
P5097
P1416
P1541
P3776
P7088
P5589
P1900
P5658
P9421
P4345
P7152
P4791
P7033
P3998
P1927
P6399
P6093
P8502
Atom NH1 of residue 42
P8410
P5000
P8184
P7602
P10613
P2363
P2015
P1994
P3226
P2284
P4065
P4856
P57
P3785
P8347
P5157
P8372
P8301
P12653
P5224
P3635
P6376
P2389
Atom HE2 of residue 27
P6940
P2413
P2065
P3576
P7305
P5315
Atom H of residue 55
P7636
P3000
P6014
P2939
P5667
P7626
P3937
P1417
P6203
ListSingletonContainer273
P8115
P4322
P6086
P3707
P4357
P2168
P1671
P6411
P1542
P8329
Atom CD2 of residue 73
P3777
P2867
P6947
P7499
Atom HD11 of residue 71
P8346
Atom N of residue 32
P5322
P8191
P5001
P1932
P1307
P9422
P3143
P3999
P1998
P5098
P7034
P2421
GLN
P5590
P3
P5659
P1
P4346
P7089
Atom CG of residue 13
Atom HB of residue 7
P7603
P7153
P6400
P8300
Atom O of residue 51
P4857
P5353
P2016
P2056
P8185
P3227
P4792
P2285
P4066
Atom HD13 of residue 36
ListSingletonContainer471
P8328
Model 195
P3577
P5158
Atom H of residue 31
P6094
Atom HA of residue 55
P12654
P3938
P1349
P1411
P5225
P8503
P2364
P3636
P6377
P4323
P2390
P58
P2066
P5855
P7306
Covariance1DFunction 72
P2940
P5668
P6941
P1676
P6204
P6015
P10614
Atom CB of residue 51
P1535
P7637
P7500
Atom HG1 of residue 7
P175
P2414
P6948
P5323
P8116
P7627
P6412
P3001
Atom C of residue 14
P8413
P6087
P3786
P1546
P3778
Atom HG22 of residue 26
P3708
P4347
P5002
Atom H of residue 73
P9423
P3144
P4004
P8192
P5099
P5591
P4358
P2868
P1999
P79
P14
P2
P1350
P6095
P7090
P1898
Linear1DFunction 16
P6401
P8266
Atom N of residue 37
P4858
P2422
P4324
P7154
P5660
P7035
P5354
P2057
P3228
P4793
P2286
P1412
P8504
P8412
P8186
P3578
P7604
P5159
P6016
P10615
P5857
P2393
P2017
P2365
P12655
P3939
P8349
P8302
P5226
P4067
Atom CG of residue 51
P3637
Atom HD12 of residue 8
P6942
P8374
P177
P7638
P4000
P2941
P5669
Atom HG of residue 71
P7628
P2067
P7307
Atom OD1 of residue 37
Atom HG23 of residue 26
P6205
P6378
P6088
P7501
P3709
P1378
P5324
Atom HD13 of residue 23
P6413
P1420
P3002
P8117
P1545
ListSingletonContainer27
P2415
SingletonConstraint 0
P4348
P1536
P8331
P9424
P3145
P1778
P6949
P5100
P3787
P8348
P8303
P8267
P80
P5003
P5592
P4359
P7605
P5355
P74
P8376
P6402
P2000
P7091
P4859
P5661
P1423
P7036
P2058
P3229
P7155
P4794
P4068
P6096
P2869
P1379
P3579
P5160
P10616
P2423
P4325
P8187
P12656
P21
P8330
P3940
P2287
P5227
P3779
Atom N of residue 27
P5004
P7502
P2018
P6943
Atom HD22 of residue 71
P6017
P2366
P2394
P3003
P8505
Atom N of residue 31
P2942
P5670
P2068
GLY
P6206
P5829
P6379
Atom HD1 of residue 4
P8377
Atom CD1 of residue 30
P7308
P1424
P3
P1675
P8304
P6414
P4001
P1779
P3638
P7639
Atom O of residue 73
P3788
P2
P8118
P1537
P7629
P3710
P4360
P4349
P5325
P8415
P6089
Atom OD1 of residue 60
P3146
Atom CD of residue 51
P13
P5101
P6950
P5593
P2416
P5356
P1380
P4795
P4
P1426
P6403
P9425
P2001
P5662
P7606
P7092
ListSingletonContainer274
P12657
P3230
P1371
P3780
P4069
LYS
P8268
P2870
Atom CA of residue 38
P7156
P3580
P7037
P5161
P4326
P7503
P6097
P8506
GLN
P4868
P8414
P204
P8188
P3941
P5228
P10617
P5005
P7640
Atom O of residue 13
P6944
P2
P2424
P7630
P3789
P8351
P3004
P4002
P6090
P2943
P5671
P2019
P6207
P6018
P5830
P2367
P6380
P2059
P3711
Atom OG1 of residue 43
P60
P6415
P2288
P7309
P3639
Atom CB of residue 73
Atom H of residue 30
P1323
P8305
P1418
P4361
P5326
P5357
P8119
P1372
P3147
P10618
P1538
PRO
P5102
P1173
P3
P5594
P8333
P2069
Atom OE1 of residue 51
P6951
P8350
P4796
Atom CA of residue 27
P8269
P2417
P6404
P9426
P2002
P4327
P7504
P5663
P7038
P4350
Atom CA of residue 31
P12658
ListSingletonContainer472
Atom C of residue 14
P3231
P6098
P1773
P3581
P1421
P7607
P5162
Atom HA of residue 62
P3790
P7157
Atom ND2 of residue 60
P1373
P3781
P2871
P4869
P5677
P205
P5229
P4070
P4
P4003
P5006
P1810
P8189
P6019
P8332
P3005
P2944
P2020
P2060
P3942
P0
P6208
P5831
P7093
P2368
P6381
P7641
P3712
P8507
P2425
P6945
P7631
P6416
P2289
P6091
P8375
P7310
P1419
P4362
P5327
P61
P3148
P10619
P8120
P5103
P8417
P5595
P4351
P3640
P1539
P6952
Atom HB of residue 61
Atom CD2 of residue 15
P6405
Atom HB2 of residue 62
P4328
P7505
P5664
Atom H of residue 60
P7608
Atom C of residue 27
Atom CG of residue 73
P2070
P3232
P9427
P5678
P2418
P4797
P3582
Restraint 157
P5163
P7094
P1811
Atom N of residue 38
P3791
P1369
P8270
P12659
P208
P7158
P5230
P4071
P7039
P2003
P5007
P3713
P3782
P6099
P2872
ListSingletonContainer28
P8508
P5358
P4860
P8416
P8190
P3006
P1774
P2945
P2021
P2061
P3943
Model 403
P6209
P5832
P2369
P81
P6382
P8216
Atom O of residue 46
P4803
P8353
P5332
P6946
P6417
P6020
P7642
P8307
P2426
P7632
P7311
P4363
P4352
P6092
P3149
P10620
P5104
P4005
P8121
P5596
P2290
P1540
P62
P3783
P82
P8335
P6406
P9428
P6953
P3641
P4329
P7506
P8352
P5665
P1312
P8271
P6100
P3233
P4072
Atom HG22 of residue 23
Atom HG22 of residue 14
P8306
P3583
P1370
Atom O of residue 27
P5164
Atom OE2 of residue 51
P7095
P5359
P2071
P12660
P15
Atom CB of residue 46
P3944
P5231
P7609
P7040
Atom N of residue 63
P6021
P2004
P2419
P3714
P4804
P7159
P4798
Atom CE of residue 33
P5336
P4861
P1813
P5675
P3792
P3007
P5008
P2946
P1801
P8191
P6210
P2873
P5833
P6383
P7643
P8334
P4364
P7633
P6418
P6093
P2022
P1374
P8509
P2370
P8217
P6947
P8355
LEU
P1520
P4353
P1775
P2062
P7312
P3150
P10621
Restraint 94
P1544
P5105
P3784
Atom H of residue 62
P4006
P2427
P5597
P8122
Atom CB of residue 48
P8419
Atom HE2 of residue 6
P2291
P7610
P6407
P4330
P5666
P6954
P16
Atom CD of residue 33
P63
P3234
Atom HB3 of residue 1
P4073
P4805
P3584
P5165
Atom H of residue 51
ListSingletonContainer275
P5676
P7507
P3793
P9429
P6101
P3642
P12661
Atom HE2 of residue 45
P5232
P7096
P5360
P5009
P2420
P2072
P4799
Model 375
Atom NZ of residue 33
P8272
P4862
P206
Atom CG of residue 74
P7160
P3008
P7041
P2947
P3945
P1522
P6211
P6022
P8510
P5834
P2005
P6384
P8418
P1814
P8192
Atom O of residue 43
P6948
P6419
P2874
P3785
Atom CB of residue 27
P5331
P1545
P5598
P1802
P3715
P4
P4365
P4354
P1776
P7644
P8309
P3151
P7097
P7634
P7313
P4007
DihedralSingletonScore3
P6094
P2063
P10622
P2023
P2371
P8123
P3072
P2292
ILE
P6408
GeneralizedGuinierPorodFunction 33
Atom HA of residue 51
P2428
P7508
P5667
ListSingletonContainer481
P8337
P3235
P6955
P5106
P8354
P4800
P3585
P7611
P8273
P5166
P8218
P4331
Atom CE of residue 33
Atom CG of residue 27
P12662
P8308
P5233
P4074
P9430
P5010
Covariance1DFunction 20
P2
P4821
P1322
P6102
P3643
P4863
P1673
P3794
P3009
P7042
P5361
Atom CG of residue 48
P1812
P7645
P2948
P64
P3946
P2073
P7161
P6212
P5835
P6385
P7635
P2421
P4366
P6095
P207
P1803
P6420
P2571
P3156
P6023
P2875
P1781
P83
P8336
Atom NE of residue 74
P5599
Atom HD12 of residue 69
P10623
P8511
P2006
P7098
P6949
P8356
Atom N of residue 43
P3786
P1325
Atom HB2 of residue 51
P4008
P7314
P2024
P4801
P1513
P3073
P5107
P3716
P6409
P5362
P8219
P8124
P4332
Atom O of residue 6
P5668
Atom CD of residue 27
P4355
P2372
P8421
P2064
P3236
P4075
P2429
P1543
P5167
P6956
P7509
Atom CA of residue 23
P6103
P12663
P4822
P2293
P5234
P3
P7612
P5068
P5011
P9431
P3644
P4864
P1816
P182
P3795
P3010
P3242
P2949
P3947
P2074
P8357
P3586
P6213
P8274
Atom CA of residue 44
P6024
P1786
P5836
P6386
P7162
P4367
P7043
P6421
P2572
P2876
P8512
P8420
P7646
Atom CZ of residue 74
P3787
P1804
P7636
P2422
P5363
P84
P6096
P10624
P7099
Atom CD of residue 48
Atom CB of residue 20
Model 156
P3717
Atom HD13 of residue 69
P4009
P5600
P1674
P6950
P8311
P4356
P2007
P4802
P7315
P5108
P6410
P8220
P4333
P7510
P5669
P3647
P8125
P3237
P4076
Atom N of residue 44
P1817
GaussianProcessInterpolation4
P7613
Atom CE of residue 27
P5168
P6
P2373
P2025
P2065
P8339
P6957
P12664
P3060
P264
P4836
P5235
P8275
Atom HB3 of residue 51
P2430
P5
P1514
P5069
P4865
P3796
P8310
P2294
P3011
P9432
P7044
Atom HE21 of residue 31
P2950
P3948
P3587
P6214
P6104
P5837
P6387
Atom HG21 of residue 7
P5012
P183
P2075
P7163
P6422
P33
Atom HB3 of residue 43
P1805
Atom NH2 of residue 42
P3154
P4357
P6025
P1780
P5364
P7647
P8338
Atom HD2 of residue 74
P2877
P7100
P7637
Atom HG of residue 69
ASP
P3788
P6097
P5601
P1668
P2423
P8513
P2008
Atom CA of residue 42
P6951
P2546
P7
ListSingletonContainer276
P3061
P3718
P7316
P6411
P4010
P4334
P5670
P3238
P4077
P10628
P8126
P5109
P184
P4368
P5169
P6105
P2374
P8221
P8423
P7511
P2066
P3797
P12665
P35
P5236
Atom NZ of residue 27
P6958
P2026
P4866
P4806
ASP
P2295
P7614
P3012
P6026
Atom HG2 of residue 51
P5070
Atom N of residue 35
P2951
P265
P3949
P3588
P9433
P6215
P5838
P6388
P3
Atom HE22 of residue 31
P5013
P6423
P1515
P8276
P7648
ARG
P7164
Atom HD11 of residue 69
Atom CA of residue 52
P3789
P7045
P2431
P7638
P2076
P4803
P8514
P5365
Atom CD1 of residue 50
P8422
P6098
Linear1DFunction 5
Atom HG of residue 43
P1818
P1672
P3719
P4011
P5602
P4358
P7101
P1806
P3062
P6952
P8313
P4369
P6412
P10625
ListSingletonContainer492
P4335
P2424
P5671
P7317
P2547
P2878
P3239
P7615
P4078
P5110
P5170
P2009
P8222
P8127
P7512
ListSingletonContainer29
P12666
GLY
P5237
P2027
P2067
P1669
P6106
P6959
P4867
P3798
P4807
P3013
P8277
P2952
P3950
P3589
P6216
P5839
P5071
P6389
P185
P4804
Atom CA of residue 32
P8312
P9434
Covariance1DFunction 85
P3720
P6424
P1516
Atom HB3 of residue 51
P6027
P2375
P266
P1808
P7046
P5014
P7165
P10626
P5366
P3650
P7102
P2077
P2296
P3790
P4012
P2432
P7649
P5603
P8340
Atom CA of residue 74
Atom HD11 of residue 43
P5677
P4360
P7639
P6099
P3063
P4370
P6413
P8515
P4336
P6953
Atom HG3 of residue 51
Atom CD2 of residue 50
P3240
P7318
Atom HE2 of residue 27
P5111
P2
P2548
P5171
P8223
P7513
P2425
P3799
P2883
P8128
P12667
Atom HD13 of residue 50
P5238
P7616
P4079
P2010
P8425
P2068
P1809
GaussianProcessInterpolation16
P4805
P4359
P85
P4936
P34
P4
P3721
GeneralizedGuinierPorodFunction 6
P3014
P10627
P6960
P2953
P1670
P3951
P1722
P3590
P6217
P6107
P5840
P6390
Atom HB2 of residue 58
P8342
Atom N of residue 52
P5072
P5015
P7650
P6425
P9435
P2028
P7640
Atom H of residue 27
P1752
P1815
P6100
P4808
P4371
P8278
P6028
P5367
Atom O of residue 62
GLN
P5678
GLY
P7047
P7103
P8241
P2078
P1517
P3791
P8516
P4013
P2376
P86
P8424
P5604
P186
P3245
P3064
P6414
P2433
P4337
P8343
P2297
Atom H of residue 50
P6954
Atom HD21 of residue 50
P7166
P8315
Atom HG22 of residue 22
ASP
P1753
P5112
P1723
P7319
P5172
P4937
P8224
P7514
P3800
P12668
P5239
P2549
P4080
P2011
P8129
P2426
Covariance1DFunction 52
P1501
P6108
P2884
P267
P3722
P6426
P7617
P3015
P2954
P3952
P3591
Atom HA of residue 27
P6218
GaussianProcessInterpolationRestraint 37
P5841
P6961
P8240
P6391
P4809
P4821
P6029
P5073
Model 136
P8314
P9436
P7048
P1671
P4372
P4361
P5368
P7651
P2029
P3332
P7104
P5016
P7641
P2079
P7167
P1518
P3792
P1754
P6101
P5605
P2121
Atom CA of residue 31
P6
P2377
P3065
Atom N of residue 59
P5675
P6415
P10629
P4014
P4338
P7515
P187
ListSingletonContainer319
Atom HG23 of residue 22
P8517
ILE
P8236
ListSingletonContainer491
P6955
P5113
P2298
P5173
P8225
P2434
P7320
GaussianProcessInterpolation56
P12669
P1807
P1344
P5240
P7618
P4081
Atom CA of residue 52
P8130
P268
P3801
P6427
P2550
P3016
P8427
P2955
P3953
P4822
P3592
P6219
P5842
P4934
P6392
P2427
P4810
P1523
P4373
P1502
P6962
P3723
Atom HB2 of residue 27
P6109
Atom C of residue 2
P3793
P5074
P172
P8237
P1675
Atom C of residue 41
P2012
P5369
THR
P2030
P1349
P7168
P5676
P6030
P10630
P2882
P5017
P7652
P5606
GaussianProcessInterpolation36
P7049
P7642
P8518
P2378
P8426
P6102
P3066
TYR
P6416
P4015
P7105
P1747
P4339
P1782
P3244
P9437
P4362
P1535
P2080
P2299
P8341
P5114
P5174
P4935
P8226
Atom HE1 of residue 59
P7516
P6956
P188
P3802
P8317
Atom HA of residue 64
P12670
P7
P7321
P5241
P6110
P2435
P2070
P270
P3724
P6428
P3017
P8131
P2956
P3954
P4836
P3593
P1499
P6220
Atom O of residue 41
P5843
P6393
P4811
P2551
P7619
P4082
P6031
P3072
P6963
P2546
P3331
P8279
P1676
P2428
Atom HD23 of residue 50
P2302
P4374
Atom CB of residue 120
P5075
P7653
P1719
P8316
P1530
P9438
P7643
P3794
P6103
P5607
P3
P7050
P5370
P5018
P1536
P7169
P2013
P3067
P6417
Atom C of residue 52
P4016
P7106
P4340
P7517
P2379
Atom HE2 of residue 59
P1783
P2081
P2031
Atom HB3 of residue 58
P2071
P5115
P5175
P4363
P8227
P271
P3803
P7620
P8519
P171
P12671
P6957
P189
Covariance1DFunction 34
P5242
P1504
P1849
P7322
P4083
Atom HB3 of residue 27
P4870
P7170
P6429
P3018
P1748
P2957
P2615
P3955
P6221
P6111
P5844
P6394
P8132
P2436
P4820
P4375
P10631
P8429
P3725
P4806
P3073
P3594
P1521
P3795
P6964
Atom HB3 of residue 64
P6032
LYS
Atom H of residue 16
P1720
P2552
P9439
P5076
P2429
Atom CG1 of residue 120
Atom CB of residue 41
P5608
P5371
P1534
P8280
P2014
P5019
P7654
P3068
Atom C of residue 17
P6418
P7051
P4364
P4017
P53
P4341
P7518
P7644
P4812
P2335
Atom HG2 of residue 27
P8520
P8428
P6104
P1850
Atom H of residue 13
P7107
P5116
P5176
P8228
P10632
P4871
P12672
P4084
P1506
P2383
P6958
P8319
Atom O of residue 52
P2032
P1777
P3726
P3804
P2082
P7171
P6430
P7323
P7621
P3019
P1749
P2958
P2616
P3956
P6222
P8281
P5845
P6395
P54
Model 281
Atom HH of residue 59
P8133
Atom HA of residue 16
P4807
P3599
P6112
P1537
P269
P190
Atom CG of residue 73
P5243
P3796
P2339
P2437
P7655
P3060
P4376
Atom HG2 of residue 64
P4365
P6965
P5372
GeneralizedGuinierPorodFunction 48
P7645
P6105
P6033
P5077
P5609
P8318
P9440
P7052
P1721
Atom CA of residue 29
P3069
P2430
P2553
P6419
P4018
P7108
P4342
P5020
P4813
Atom N of residue 9
P2334
Atom CB of residue 52
P1851
Atom HB of residue 13
P4085
P5123
Atom HG3 of residue 27
P5177
Atom O of residue 54
P2015
P8229
P1538
P7519
P3805
P10633
P4872
P12673
Atom CB of residue 74
P2384
ListSingletonContainer320
P9441
P6959
P3727
P2083
P7172
P6431
P3020
P1503
P8282
P2959
P3957
P7324
P5244
Atom N of residue 11
P6223
P6113
P5846
P6396
P2033
Atom C of residue 75
P4377
P7622
UnaryFunction18
P2580
P1778
P8134
P3600
Atom CD of residue 34
Atom N of residue 60
P8431
P2438
P3061
P4366
P6034
P5373
ListSingletonContainer482
P272
Atom CD1 of residue 73
P6966
P5117
P191
P1724
P3797
P2340
P4019
P1750
P7656
P5610
P0
P4808
P2676
Model 88
Atom HB2 of residue 64
Atom CG of residue 52
P5078
Atom CG1 of residue 5
P7646
ScoreState 24
P6106
P3070
Atom CG of residue 74
P2554
P6420
P4343
P4814
P5021
P7053
P5178
P2016
P8230
P8430
P7520
P7109
P4873
P12674
Atom HD2 of residue 27
P6224
Atom CB of residue 54
P2431
P9442
Atom OE2 of residue 34
P10634
Atom HD22 of residue 8
P3728
P3806
P7173
P6432
P7623
P3021
P2960
P6960
P3958
P8321
P5245
P5847
P6397
P2034
P1852
P7325
P4378
P8283
P2581
P1539
P5118
Atom O of residue 16
P8135
P2084
P4809
P4367
P6114
P5374
Atom NH2 of residue 42
P274
P1
P2677
P4086
P3798
P6967
P2439
P1755
P5611
Atom CD2 of residue 73
P3062
Atom HA of residue 8
P6035
P1822
P5079
P3071
Atom H of residue 75
P192
P1779
P1725
P8320
P6421
P4020
P7647
P4815
P6107
P3598
P2555
P7054
P2336
Atom N of residue 36
P5022
Atom C of residue 52
P5179
P8231
P4344
P7521
Restraint 139
P10635
P4874
P12675
P69
P6225
P2017
P7110
P7657
Atom CD of residue 74
P9443
Atom OD1 of residue 52
P2037
P3807
P6433
P3022
P6115
P2961
P3959
Atom OH of residue 23
P5848
P6398
P6961
P2432
P7174
P4379
P3729
Atom C of residue 20
P7326
P1
GLY
P5119
P5246
P7624
P6036
P2085
P4810
P3063
P5375
P8136
Atom CA of residue 42
P2582
P8433
P3075
P1853
P3799
P4021
P173
Atom HB2 of residue 6
P1756
P5612
P4368
P6968
P1780
P7648
P1726
Atom H of residue 34
Atom C of residue 54
P1823
P6108
P2038
Atom H of residue 73
P2655
P6422
P5080
P2440
P4345
P7658
P7522
P193
P4816
P4087
Atom O of residue 52
P5180
P5023
Atom C of residue 22
P275
P3153
P2556
P7055
ILE
P4875
P12676
P37
P3960
Atom HD3 of residue 27
P175
P8432
P7625
P9444
P7111
P3808
P7175
P3023
P2018
P2962
Atom CA of residue 75
Atom NE of residue 74
P6226
P8285
P10636
Atom OD2 of residue 52
P2337
P5849
P6399
Atom H of residue 29
P6962
P3730
Atom O of residue 20
P8323
P6434
P6116
P5125
P7327
P5247
P2433
P1854
P4811
P3064
P4380
P4369
P5376
P2583
P0
Atom HA of residue 34
P8137
Atom HH12 of residue 54
P3151
P3800
P4022
P1825
P5613
Atom N of residue 73
P4088
Atom HE3 of residue 1
P1331
P6969
P0
ListSingletonContainer484
P2086
Model 38
P2656
P6423
P8284
P4817
P3154
P5081
P7659
P8322
P7056
P7649
P5181
P6037
ListSingletonContainer322
P2441
P4346
P6109
P7523
P276
P2039
P1785
P4876
P12677
P5024
P5215
P2557
P2344
Atom HA of residue 29
P194
P3731
P3809
P7176
P6435
P3024
Atom HA of residue 42
P1333
P7112
P2963
P3961
P9445
P6227
P5850
P6400
Atom CB of residue 52
P7626
P10637
P2019
P4089
Atom HB2 of residue 34
Atom HH21 of residue 54
P6963
P5248
P3801
P4820
P3065
P7328
P4381
P6117
P5377
Atom CB of residue 11
P19
Atom HH21 of residue 74
P2584
P1855
P8325
P1826
Atom HB3 of residue 31
Atom CA of residue 118
P4027
P8138
P5614
P1786
P7650
P2434
P4370
P8435
P6110
P3074
P6038
LYS
P2087
P2657
P6424
P6970
P2
P4818
P7660
MET
Atom HE3 of residue 27
P5082
P273
Atom CG of residue 64
Atom OD1 of residue 74
P5182
Atom CA of residue 30
P4347
P7524
P3810
P4812
Restraint 166
P4877
P12678
P3962
P2442
P5025
P3077
P4090
P9446
P7057
P3732
P7177
P6436
P3025
Atom HG22 of residue 7
Atom HG21 of residue 9
P8434
P174
P2964
P2041
P2558
THR
P6228
P4023
P5851
P7113
P6401
Atom HG2 of residue 31
P2020
P195
P8287
Atom O of residue 40
P6118
P10638
P1
Atom CG1 of residue 30
P5249
P7627
P6964
P3066
P4382
P4371
Atom HB3 of residue 34
P5378
Atom CD1 of residue 71
P2585
P5121
P1784
P7329
Atom H of residue 52
Atom CA of residue 63
Model 46
P3802
P5615
P1384
Atom CD of residue 5
Atom HD3 of residue 54
P1856
Atom HG23 of residue 12
P6039
Atom HB2 of residue 57
P2435
P2658
P6425
P1824
P4348
P7525
P7651
P4819
P6971
P6111
P8286
P143
P5183
P5083
P7661
P2813
P3811
P4813
P8324
Atom HZ1 of residue 27
P1318
P4878
P8139
P12679
P2088
P9447
P7058
P5026
P3733
Atom CD of residue 64
P6437
P3026
Atom CB of residue 40
P2343
P2965
P3963
P2559
P6229
P5852
P6402
P2443
Atom CG2 of residue 30
P3078
P7628
Atom HG2 of residue 34
P2021
P7114
P1385
Atom HB2 of residue 46
Atom CD2 of residue 71
P7178
P5250
P3803
P10639
P4024
P3067
P4383
P4091
P1828
P6965
P2586
P5122
P196
P2004
Atom HA of residue 52
von Mises sufficient 13
P1311
P7330
P6426
P6119
P5616
Atom O of residue 17
P4372
Atom C of residue 63
P5379
P7662
Atom HA3 of residue 35
P8140
P2659
P1386
P8437
P1666
P4349
Atom HE of residue 54
P4848
Atom CZ2 of residue 62
Atom N of residue 13
Atom H of residue 6
P6040
ListSingletonContainer321
Atom CA of residue 29
P6972
P144
P7652
P2436
P1857
P5184
P6112
P2814
P7526
P3812
P4814
P5084
P4879
P12680
P3964
Atom HB3 of residue 57
P9448
Atom HZ2 of residue 27
P0
P6438
P3027
P1357
P5027
P2966
P2560
P7059
P6230
P4025
P5853
Atom HB2 of residue 52
P6403
Atom OE1 of residue 64
P3079
P4092
Atom CG of residue 40
P6120
P2342
P8436
P3734
P2092
P7115
P1851
P7179
P8327
P5251
P6041
P2444
P178
P1321
P3068
P4384
P8289
P4373
P10640
P2022
P5380
P1674
P5216
Atom N of residue 36
P7629
P6966
P4871
P197
P6427
P3804
Atom CD of residue 38
P5617
P7331
P2587
Atom N of residue 68
P8141
P2660
Atom HG3 of residue 34
P1381
Atom O of residue 94
P4350
Atom H of residue 71
P7653
P6113
P7663
ListSingletonContainer475
P1858
P5185
P6973
P2815
P7527
Atom HB3 of residue 46
Atom HG of residue 57
P3813
P4815
P2005
P8288
P4880
P12681
Atom N of residue 25
P4093
P5085
Atom HB3 of residue 52
P2437
P8326
P7060
P135
P3735
P6439
P3028
P2967
Atom C of residue 28
P7630
Atom CG2 of residue 61
P6231
P5858
P2346
P6404
P5028
Atom HG3 of residue 29
P3080
P4026
P5217
P9449
Atom CG of residue 11
Atom OE2 of residue 64
P5252
P2561
Atom CZ of residue 23
P6042
P7116
Atom HA of residue 38
P22
P4932
P3069
P4385
P6121
Atom HZ3 of residue 27
Atom HA of residue 71
P2588
ILE
P7180
P10641
P2445
P6428
P3805
Atom N of residue 35
P1382
P5618
P6967
P4374
P5381
P3965
P7332
P2661
P2002
P2023
P4351
Atom N of residue 47
Atom CA of residue 58
P8142
Atom CB of residue 26
P1827
Atom N of residue 53
P8439
P1659
P198
P1859
P0
P1563
P5186
Atom CB of residue 94
P7664
P2816
P7528
P3814
P4816
P6974
P4881
P12682
P7654
Atom CA of residue 1
P2546
P4094
P5859
P1390
P6114
Atom HD2 of residue 29
P2438
P5086
P6440
P3029
Atom C of residue 29
P2968
Atom O of residue 28
P6232
P6405
Atom C of residue 23
P136
P4933
P3081
P8143
P5029
P3736
P9450
P7061
Atom N of residue 28
P7181
P5253
P7631
P6043
P1
P8438
P3070
P4386
P7117
GaussianProcessInterpolation69
P5382
P2589
P2355
P1393
P176
Atom CD of residue 31
P6429
P3806
P8291
P6122
P10642
P5619
Atom CA of residue 47
P5126
P2091
P1550
Atom OG of residue 24
P4375
P4028
P6968
P2562
P2446
Atom O of residue 71
P7655
P2662
P7333
P2024
P6115
Atom CA of residue 35
P12683
P7665
P3966
P4095
P1660
Model 386
Atom C of residue 5
P4823
P5187
Atom HB3 of residue 42
P4352
P2817
P3815
P4817
Atom CG1 of residue 26
P1394
P4882
Atom CB of residue 38
P2613
P2044
P6975
GLY
P2
P199
P1342
P8290
P7529
P6441
P3030
P5087
P2969
Atom HD3 of residue 29
P2052
P1860
P6233
P6406
P2439
P3071
P3082
P8144
Atom C of residue 31
P7062
P5856
P5030
P137
Atom OE1 of residue 31
P5254
P6044
P4387
P9451
P4376
P6123
ALA
P2590
P3737
P7632
P7118
P6430
P3807
P5620
P5127
P7182
P10643
P4029
P3967
Atom CB of residue 13
Atom C of residue 35
P6969
P2663
P1460
ListSingletonContainer30
Atom HG23 of residue 14
Atom HG2 of residue 11
P7334
P2563
P5383
P12684
P4096
ListSingletonContainer279
P1661
P7656
P5188
P2345
P4353
P6116
P2818
P7530
P3816
Atom HD12 of residue 13
P4818
P8441
P4883
Atom N of residue 36
P2614
P0
P1547
P2025
P2447
P7666
P4824
P3075
Atom HA3 of residue 35
PRO
P6976
P6442
P3031
P2970
P1861
Model 47
GaussianProcessInterpolationRestraint 4
P1461
P6234
P5088
P6407
P200
Atom C of residue 74
P3083
P4388
P2045
Atom CA of residue 28
P5337
Atom CA of residue 53
P8145
P3738
P9452
P5255
P7633
P3808
P5031
P2440
P7063
P1388
ListSingletonContainer476
P138
Atom HA of residue 13
Atom HB2 of residue 4
P6045
Atom CG1 of residue 13
P8440
P6431
P7119
P5621
P5128
P4377
P4030
P5387
P2591
P1462
P6124
P8293
P10644
Atom O of residue 35
P3968
P2664
P2
P7667
P6970
P2564
Atom O of residue 25
Atom NE2 of residue 31
P7335
P1662
P3
P5189
P2819
P4354
P3817
P2582
P3151
P4819
P4884
P12685
Atom HD11 of residue 13
P7183
P1566
P6117
P4825
P5384
P1389
Atom HA3 of residue 35
P3739
P6443
P1470
P2026
P6977
P2971
P7531
Atom HG21 of residue 5
Atom N of residue 36
P6235
P8292
Atom C of residue 19
P2448
P6408
Atom O of residue 74
P3084
Atom HH21 of residue 54
P5340
P5089
P8146
P24
P201
P7064
P7657
P1862
P5256
P3032
P3809
P2006
P6046
Atom C of residue 28
Atom HD13 of residue 43
P91
P4389
P4378
P5032
P2592
Covariance1DFunction 25
Atom HD1 of residue 59
Atom OD1 of residue 106
Atom C of residue 60
P3969
P6432
P9453
P0
P5622
P5129
P139
P2441
P7634
Atom CA of residue 19
P4031
P7120
P0
P7184
Atom N of residue 74
P2665
P6125
P4355
P6971
P1454
P2160
P7336
P1567
P5190
P5385
P6118
P7668
P2820
Atom HD3 of residue 6
P3818
P2583
P4847
P4885
P12686
P7532
Atom C of residue 12
Atom O of residue 35
Atom O of residue 1
P7658
P4826
THR
P2565
P10645
Atom C of residue 53
P8443
P3970
P3740
P6444
Atom CD1 of residue 23
P2027
P2972
P3074
P6236
P6978
P6409
P3085
P4390
P7635
P5090
P3
P1
P5257
P3033
P3810
P6047
Atom C of residue 19
P5339
P8147
P2449
Atom O of residue 60
Atom CA of residue 36
P2593
Atom HA of residue 6
P2007
P1455
Atom HD21 of residue 43
P5033
ARG
P1863
P6433
Atom HB of residue 7
P7065
P5623
P5130
P145
P9454
P4379
P4032
P8442
P92
P4
P202
P7121
P2442
P7185
P2666
P6126
P23
Model 196
Atom O of residue 28
P8295
P10646
Atom O of residue 53
P7533
P1670
LYS
P6972
P1333
P5191
P5386
P2821
P4356
P2584
P4869
P7337
Atom HB of residue 17
P1549
GLY
Atom ND2 of residue 106
P4886
P12687
P5333
P7669
Atom CB of residue 61
P4827
P7659
P3971
P3819
P6445
P1456
P6119
Atom HD13 of residue 30
P2566
Atom C of residue 71
P6237
P6410
Atom H of residue 58
P3087
Atom H of residue 23
P6979
P8148
Atom C of residue 35
P8294
Atom CD of residue 27
P2973
GLY
P5258
P3811
P3034
P6048
P5091
Atom H of residue 53
P4391
P4380
P2028
ListSingletonContainer31
P2595
P3741
P2008
P7636
Atom CB of residue 28
Atom HG of residue 43
Atom O of residue 37
P2813
Atom C of residue 55
P7066
P2450
P5624
P5034
P5131
P9455
P6127
P1673
P3086
P1864
P2667
P6434
P7122
Atom OD1 of residue 60
P146
P10647
P4033
P7534
P4870
P7186
P5334
P6120
P2443
P8447
P5192
Atom O of residue 123
ListSingletonContainer280
P7670
P2822
P4357
P6973
P2594
P3820
Atom HB2 of residue 29
P2585
P1457
Atom CA of residue 75
P4887
P12688
Atom HB3 of residue 59
P7338
Atom CG of residue 11
P4828
P1327
P7660
P3972
P6446
P2567
P6238
P8445
P6411
P203
P4392
P8149
P3742
P7866
P7187
P6980
P2974
P5259
P3812
Atom CB of residue 71
P3035
Atom HG23 of residue 14
P5092
Atom HE of residue 42
Atom CE of residue 27
ListSingletonContainer477
Atom CA of residue 76
Atom N of residue 55
Atom N of residue 31
P2814
P6435
P2029
P5625
P5132
Atom HB2 of residue 58
P7637
P4381
P6049
P4034
P5388
Atom ND2 of residue 60
P5035
P1530
P7067
P6128
Atom O of residue 75
P142
P2668
P8448
P9456
P1465
P8444
P2451
Atom CE of residue 11
P7867
P2009
Atom H of residue 35
P7123
Atom CB of residue 123
P7535
Atom C of residue 101
P5335
Restraint 95
P1865
Atom H of residue 28
P8297
P5193
P10648
P2823
P3823
P2586
P4888
P12689
P1667
P6974
P6121
P2444
P4829
P4823
Atom HB3 of residue 29
P7339
ScoreState 37
Atom CB of residue 6
P4358
Atom N of residue 15
P3973
Atom HA3 of residue 75
P6447
Atom HA2 of residue 53
Atom CG2 of residue 17
P7671
P2975
P6239
P6412
P7661
P3089
P4393
P8150
P26
P7188
P3743
P5260
P3813
Atom CG of residue 71
P10649
P6981
P8447
P8296
P93
Atom O of residue 74
P7638
GLY
P5093
P2815
P1513
P6436
P3036
P7068
P1471
P2030
Atom HH21 of residue 42
Atom O of residue 5
P5626
P5133
P3821
Atom HB3 of residue 58
PRO
P2568
Multivariate Normal distribution 4
P4382
P6050
P4035
P5389
Atom O of residue 101
Atom H of residue 75
P5036
P3088
P2669
P2596
P7868
P9457
P6129
P7536
P7124
P5341
P2452
P7672
Atom HE2 of residue 4
P2010
P5194
P2824
P4359
Atom HG13 of residue 5
P7662
P2587
Atom CB of residue 32
P4889
P12690
P1675
P8449
Atom HA of residue 28
Atom CG of residue 74
P6975
P4830
P1866
P3974
P6448
Atom CD1 of residue 23
P6122
P2976
P2445
P3744
P5261
P6240
P6413
P4824
P94
P7189
P8446
P3814
P10650
Atom CA of residue 19
Atom HB3 of residue 4
P4395
P4383
P6982
P5390
Atom CG of residue 41
P1525
P7340
P8151
P2816
P6437
P3037
P1463
P5094
P5627
P5134
Atom HB2 of residue 48
Atom C of residue 18
Atom HA3 of residue 53
P4036
P237
Atom CA of residue 59
P1515
P5342
Model 340
P2671
P7639
P6051
P2035
Atom HG12 of residue 30
P25
P4360
P5037
P2597
P3822
P7869
P7069
P8298
P1676
Atom HB of residue 12
P7537
P2569
P8450
P9458
P6130
Atom HG22 of residue 3
P4394
P2011
P5195
P7125
P2588
Atom H of residue 23
P4890
P12691
P2453
P6123
P7673
P4831
P2825
P6976
P7663
P3975
P6449
P2977
P0
P90
GLY
P5262
P2670
P7341
P1464
P6241
P6414
P3090
P1867
P4825
Atom HG3 of residue 40
Atom HH12 of residue 74
P7190
von Mises sufficient 4
P8299
P2446
P3815
P3038
P10651
Atom CD of residue 74
Atom HG2 of residue 64
Atom CA of residue 71
P7640
P5391
P6983
P8449
P8152
P1520
P3745
P2817
P6438
P5628
P5135
P4384
P6052
Atom N of residue 54
P4037
ListSingletonContainer281
P1526
P0
Atom HB3 of residue 48
Atom CE1 of residue 4
P2575
Atom HB1 of residue 28
P2036
Atom HG13 of residue 30
P4361
P2598
P7870
P1508
P7070
P5038
P7538
Atom O of residue 19
Atom CA of residue 10
P9459
P6131
P5196
Atom CD of residue 41
P2827
P7126
P5338
P12692
P3824
P8450
P4832
P235
Atom HE21 of residue 40
Atom HH21 of residue 74
P3976
P6450
P2589
P8451
P7674
P2978
P6977
Restraint 158
P7342
P6242
P2454
P6415
P7664
Atom CA of residue 65
P3091
P4826
P6124
P1521
P2012
ARG
P4891
P3749
P1868
Atom C of residue 43
P5263
P3816
P3039
P10652
Atom OE1 of residue 18
P2826
P7191
Atom HZ2 of residue 33
P4385
Atom O of residue 37
P5392
ListSingletonContainer478
Atom N of residue 27
Atom NE of residue 74
P91
P2818
P6439
Atom HB2 of residue 28
P6984
P8451
P5629
P5136
P4396
P7641
P4038
P8153
P1671
P2447
P8361
P3746
P6053
P2033
Atom HD12 of residue 30
P5039
P1522
Atom N of residue 65
P7871
Atom HD12 of residue 44
P7071
Atom HE22 of residue 40
P5197
P4362
P2599
P2590
P1509
P8452
P9460
P6132
P5373
P12693
P7539
P75
P2672
Atom HB3 of residue 37
P7127
P7675
P4833
P238
Atom HA of residue 48
P3977
P7665
P6451
P8235
P4892
P2979
P28
P6243
P8362
P2455
P6416
P6978
P3092
P1871
P4827
P1527
P7192
P7343
Model 413
P5264
P3040
Atom HA of residue 44
P5393
P76
P3825
P10653
P1780
P8154
Atom HA of residue 64
P2819
P2573
P3817
P2013
Atom HZ3 of residue 33
P6440
P6054
Atom CA of residue 54
P5630
LYS
P5137
P4386
P6985
Atom N of residue 19
P4039
P1672
P3747
P8238
Atom C of residue 74
P6125
P1869
P4397
P7642
P2600
P7872
von Mises sufficient 5
P7344
P7072
P5374
P7540
Atom HG2 of residue 37
P1472
P2448
Atom HB3 of residue 28
P5198
Atom CB of residue 37
P4363
P5040
P1516
P2591
P1532
P2385
P12694
Atom O of residue 108
P2673
P9461
P6133
P8363
P95
P4834
Atom OD1 of residue 87
Atom NH1 of residue 42
P7128
P3978
Atom HB3 of residue 27
P6452
P4893
P2980
P6244
Atom O of residue 105
P6417
P2828
P239
P3093
P4828
P1510
P8453
P7676
P6979
P7193
Atom HB2 of residue 37
P1475
Atom HB2 of residue 64
P7666
P5265
P3041
P3818
P10654
P2456
P6126
P2574
P8239
PRO
P5394
Atom HB of residue 23
P96
P2820
P4398
P2014
P6441
P5631
P5138
P1515
P7643
P4387
P4040
P27
P3826
Atom CD1 of residue 44
P6986
ListSingletonContainer32
P1781
THR
P6055
Atom N of residue 29
P2386
P8155
P2601
P7873
P7345
P3748
P1536
P1870
Atom CB of residue 108
P5199
Atom CB of residue 105
P1686
P2
Atom HG2 of residue 27
Atom CB of residue 62
P12695
P7677
P5041
P7541
P1476
Atom C of residue 20
P2674
P7073
Atom C of residue 54
Atom CG of residue 37
P4835
P7667
P2449
P8454
P9462
P6134
P5343
P4364
P3979
P2592
ScoreState 4
P7129
P2981
Atom OD2 of residue 87
P6245
P6418
P2829
P3094
P4829
P4399
P6453
P7194
P8364
P4894
P6980
P5266
P1511
P3042
P10655
Atom NZ of residue 6
P6127
P240
P4388
P5395
P1776
P3827
P2821
P6442
P3819
P2457
P5632
P5139
GLN
P4041
Atom OE1 of residue 64
P6987
ListSingletonContainer294
P1695
P2602
P258
P7874
P7346
P2015
P2387
P8156
Atom HG12 of residue 23
P3704
P7644
P6056
LYS
P5200
P4365
Atom HG3 of residue 27
P2593
P12696
P7542
P2808
P7074
P8301
P5042
P1517
P3828
P4849
Atom N of residue 72
Atom CB of residue 31
P5344
Atom HG3 of residue 37
Atom O of residue 20
P1
P9463
P6135
P7678
P2982
P3750
P6246
P7130
P6419
P2830
P7668
P2450
P3095
P4830
P4400
ListSingletonContainer33
P1466
P3980
P6454
P1531
Atom CG of residue 62
P8236
P122
P4895
ListSingletonContainer479
P5267
P1516
P3043
P8455
P3820
P10656
P6981
P5396
P6128
P1524
P7195
P2822
P7645
P6443
Atom O of residue 54
P1677
P5633
P5140
P260
Atom HB2 of residue 42
P4042
Atom CA of residue 29
Atom HD22 of residue 8
P209
P1627
P6057
P2458
P1777
P2603
Atom HD12 of residue 50
P7347
P2016
P6988
P4366
P7543
Atom CA of residue 41
P8237
P8302
P8157
Atom CG2 of residue 3
Atom C of residue 72
P5201
P1872
P2594
Atom CG2 of residue 99
P12697
P6129
P7875
P2809
Atom CB of residue 54
Atom HB3 of residue 38
P3829
P4850
P4389
Atom CG of residue 31
P5345
P5043
P1467
P3981
P7075
P2983
P30
P3751
P210
Atom NH2 of residue 45
P8456
P9464
P6136
P6247
P2388
P6420
P2831
P3096
P4831
P7131
P7679
Atom HE3 of residue 33
P6455
P2
P4896
P7669
P5268
P3044
P3821
P1678
P2451
P4401
P5397
Atom HD3 of residue 37
Atom HG3 of residue 19
P6982
Atom HG2 of residue 38
P7196
P2823
P1521
Atom CD of residue 62
P6444
Atom C of residue 41
P5634
P5141
P261
P1529
P10657
P4043
Atom CE of residue 11
P6
P1628
P7646
P5202
P1778
P2604
P3702
Atom C of residue 29
P6989
Atom CG of residue 54
Atom HD13 of residue 50
P7348
P2017
P4390
Atom HA of residue 31
P8158
P2459
P124
P1468
P2595
P6058
P12698
P6130
Atom CA of residue 46
P7076
P1308
P3830
P211
Atom N of residue 100
P5346
P2389
P3982
P1873
P2806
P8303
P2984
P7680
P4837
P6248
P6421
P2832
P7670
P3097
P4832
Atom O of residue 72
P4402
P9465
Atom O of residue 41
P6137
P6456
P7132
P4897
Atom HD2 of residue 11
Atom HZ1 of residue 33
P3752
P7876
P5269
P3045
Model 137
P1469
P5398
P4367
Atom HD2 of residue 19
P7544
GaussianProcessInterpolation12
P1514
P3706
P8457
SingletonScore 1
P5044
P6983
P2452
P2824
P6445
P5635
Atom OD2 of residue 32
P262
P5142
P10658
Atom HA of residue 2
P4044
P29
P7197
Atom OE1 of residue 62
P6059
P1682
P5203
P2605
P7349
P2
P7647
P1477
P4391
P6990
Atom N of residue 8
Atom H of residue 22
P1523
P2596
Atom O of residue 29
P8304
P8159
P12699
P6131
P3822
P2018
Atom HD12 of residue 3
P3831
P4838
P1623
P5347
P2460
P1783
P3983
P7877
P2807
P2985
P3753
P6249
Atom CA of residue 5
P6422
P2833
P5045
P3098
P4
P4833
Atom CB of residue 72
P3
GLN
P7077
P2390
P4368
P7545
Atom HD11 of residue 50
P6457
P3707
P8458
P9466
P6138
Atom CD of residue 54
P4898
P1482
P1786
P5270
P3046
P1
P7133
P5636
P7681
P4403
P5399
Atom H of residue 32
P7671
P1874
Atom CA of residue 13
P7198
P2826
Atom CA of residue 5
P6446
Atom HD11 of residue 15
P1528
P6984
P5143
P4045
P1683
P2453
P7648
P4392
P10659
P263
P2606
P7350
P212
Atom CG2 of residue 22
P3823
P6060
P1530
P5204
Atom O of residue 52
P2597
P2812
P6991
P12700
P6132
P1483
P4
P7878
P2825
P8160
P1784
P1787
P3832
P4839
Atom CB of residue 41
Atom CB of residue 29
P8233
Atom CB of residue 57
P5348
P7682
P3984
P2019
P2986
P7672
P6250
P2461
P6423
P2834
P5046
P3099
P4834
P4404
P7078
P8305
P0
P4369
Atom HD21 of residue 71
P6458
P4899
ListSingletonContainer480
P3754
P5271
P4
Atom HG21 of residue 3
P3047
P9467
P6139
P5637
P7546
P4393
Atom NE of residue 54
Atom HG21 of residue 26
P1624
P1531
ListSingletonContainer295
LYS
Atom OG1 of residue 12
P6447
P5144
P8459
P3824
P10660
P4046
P5400
P6985
P1875
P2391
P1684
P259
P3705
P8232
P3
P2607
P213
P7199
P7134
P3059
Atom O of residue 3
P2454
P8263
P5205
Atom CG of residue 8
P2598
P7649
P6061
P12701
P1473
P7879
P6992
P32
P3833
P4840
Atom H of residue 7
Atom CG of residue 41
P8306
Atom OG of residue 57
P5349
P8161
P4370
P6133
P3985
Atom HE22 of residue 40
P7354
P2020
P2987
P3755
P8234
P6251
P6424
P2835
P3100
P4835
P7683
P6459
Atom HE3 of residue 11
P4900
P5047
P7673
P5272
P3048
P7079
P2462
P5638
P2
P4405
P8460
P9468
P6140
P4394
ListSingletonContainer283
Atom HG22 of residue 26
P1474
P3
P7135
P7547
P2827
P6448
P2392
P5145
P4047
P5401
P1625
P7650
P1782
Atom C of residue 18
P6986
P8264
P3825
P6913
P2608
Atom HD3 of residue 11
Atom CB of residue 8
P4371
P5048
P1782
P7880
P1876
P7200
P6062
P10661
P2455
SingletonModifier 1
P3751
P5206
Atom CA of residue 19
P214
P2600
P12702
P6134
P7351
P3834
P4841
P2810
Atom CG of residue 29
P6993
P1
P5350
P7548
P2021
P8162
P2988
P81
P3756
Atom CA of residue 41
P6252
Atom H of residue 57
P6914
P6425
P2836
Atom CA of residue 65
P4848
P7080
P3986
P6460
Restraint 159
P4901
Atom OE1 of residue 24
Atom CG of residue 19
P5273
P3049
P8307
P7684
P5639
P3101
P2599
P4406
P4395
P5402
P7674
P9469
P6141
Atom OD1 of residue 39
P7136
P31
P215
P2828
P6449
P2275
P2463
P5146
P4048
P1350
P7352
P3752
P8461
Atom CZ of residue 54
P99
P2393
P2148
P6987
P2609
P4372
P5049
P0
P1630
Atom HB2 of residue 43
GLN
P7651
P3826
Atom OE1 of residue 41
P7201
Atom CD of residue 29
P5207
P10662
P2811
Atom HD11 of residue 71
P12703
P6135
P7549
P1877
Atom HG3 of residue 2
P6426
P1783
P3835
P4842
P2456
P5351
Atom CA of residue 98
P3987
P6994
P2989
P6253
P8308
Atom HD2 of residue 54
P4199
P100
P8163
P2837
Atom CZ of residue 42
P7881
P3102
P4849
P3244
Atom HA of residue 70
P7685
P6461
Atom HE2 of residue 48
P2022
Atom HA of residue 57
P4902
Atom OG of residue 65
P7675
P3757
P5274
P3050
P5640
Atom HG3 of residue 40
P7353
P4407
P6063
P3
Atom CD of residue 19
P7081
P8297
P8462
P6450
P9470
P6142
P6916
P5147
P1631
SingletonConstraint 1
P2800
P4396
P4049
P7137
P5403
LEU
P3827
Atom HB2 of residue 41
Atom HA of residue 1
P2464
P2829
Atom CE of residue 29
P2276
Atom NH1 of residue 54
P1293
P82
P2610
Atom HD12 of residue 71
P1680
P5050
P7550
P6988
Atom HB3 of residue 43
Atom H of residue 48
P3708
P216
P5208
P6064
P7882
P7202
P2601
P7652
P10663
Atom OD2 of residue 39
P12704
P4373
P6136
P8298
P6427
P1784
P4843
P3836
Atom HB of residue 70
P5352
P7138
P2394
ListSingletonContainer497
P2990
P3758
P1878
von Mises sufficient 6
P4990
P6254
P4200
Atom HD1 of residue 4
Atom HE3 of residue 29
P2838
P2457
P1
P8164
Atom N of residue 98
P6462
P4903
P5
P4837
P5275
P3051
P6917
P5641
P3103
P3245
P4408
P4397
Atom HB2 of residue 65
P3988
P2801
P7082
P8309
P1527
P7686
Atom HA of residue 48
P6451
P3828
Atom NH2 of residue 54
P6995
ListSingletonContainer284
Atom H of residue 12
P7676
P2023
P9471
P6143
P4050
P5404
Atom HD13 of residue 71
Atom O of residue 8
P2680
P2253
P1681
P4374
P5051
P7551
Atom C of residue 63
P2830
P7653
P8463
Atom NZ of residue 29
P2465
P6989
P1629
P4991
Atom HG11 of residue 70
P5209
P6066
P83
P5148
P7884
Atom HG of residue 43
P2602
P8266
P12705
P7203
P7355
P10664
P6428
Atom CA of residue 30
P4844
P3837
P5353
P7139
Atom HB3 of residue 41
Atom HA of residue 13
P66
Atom CB of residue 30
P2991
Atom C of residue 65
Atom N of residue 74
Model 376
P6255
P1534
P4201
P6137
P7687
P2839
P217
P3104
P4838
P4409
P3709
P2546
P6996
Atom CD1 of residue 20
P1785
P7677
P6463
Atom OD1 of residue 25
P6915
P4904
P8165
GeneralizedGuinierPorodFunction 49
P3759
P1879
P5276
P3158
P3052
P3829
Atom H of residue 54
P5642
P2458
P4398
Atom O of residue 20
P3989
Atom CD of residue 41
P6452
Multivariate Normal distribution 24
P2024
P7083
P4051
P2800
Atom HB2 of residue 48
P8464
P9472
P6144
P1538
P5405
P2395
P2681
Atom HD21 of residue 71
Atom OG of residue 81
P5149
P8267
P7552
P2831
P7356
P1788
P4992
P5210
P6067
P5052
P6990
P7885
P12706
P4375
P1331
Atom HG12 of residue 70
P6256
P6429
P4845
Atom HH11 of residue 54
P3838
P7204
P7654
P2585
P10665
P5354
P7140
Atom CA of residue 32
Atom O of residue 28
Atom CG1 of residue 30
P2992
Atom O of residue 74
P3760
Atom HA of residue 54
P4202
P2466
P6138
P2840
Atom CD2 of residue 108
P4839
Atom OE1 of residue 41
P2603
Atom CB of residue 20
P6997
P3990
P6464
Atom HE2 of residue 29
P4905
P5277
P3159
P3053
P3830
P2254
P1539
P8166
P7688
P5643
P218
P3105
P4410
Atom ND2 of residue 25
P1789
P1336
P7678
P3710
P7084
Atom CD of residue 41
P6918
P1880
P2459
P4399
Model 282
P5406
P84
P2682
P6453
P6145
P0
Atom HG22 of residue 17
P5150
P7655
P4052
P2396
P67
Atom CA of residue 75
P4376
P5053
Atom C of residue 32
P7553
P2832
Atom H of residue 29
Atom N of residue 72
P2678
P2025
P2586
P5211
P8465
P101
P12707
P6991
Atom CA of residue 63
P4993
P6257
P6065
P6430
P3839
P4846
P7883
P8268
P9473
P5355
P7141
P3991
Atom CB of residue 28
P7205
P10666
P2993
P85
Atom CB of residue 74
Atom HH12 of residue 54
P3761
Restraint 176
P4203
P2841
P4840
P2604
P3106
P4411
P6465
P1532
Atom H of residue 54
P4906
P6139
Atom NE1 of residue 108
Atom NE2 of residue 41
P3160
P5278
P3054
P3831
Atom HB2 of residue 54
P6919
P6998
P2467
Atom CG of residue 11
P5407
P102
P8167
Atom HD23 of residue 69
P2255
P7689
P7357
P5644
P1790
P219
P7679
P3711
P2587
P4400
Atom NE2 of residue 41
P2397
Atom C of residue 75
Atom HD3 of residue 48
Atom HA of residue 29
Atom HG13 of residue 44
P1
P1881
P2683
P6454
P7085
Atom N of residue 46
P3333
P2679
P2460
P8466
P9474
P6146
P4053
P4377
P5054
P7554
P2833
P6999
P4847
P8269
P4994
P5218
P5151
P7656
P1533
P12708
P2026
P6068
Atom CE2 of residue 4
P6431
P6992
P3842
P5356
P86
Atom HA of residue 54
P2994
Atom HH22 of residue 54
P7206
Atom O of residue 66
P6258
P10667
P4204
P7142
P6920
P1
P6140
P2842
P7886
P4841
P2605
P3107
P7358
Atom C of residue 74
P3992
P6466
P3336
P4907
P3762
P3162
P5279
P3055
P3832
P7690
P5645
P4412
Atom HH11 of residue 42
Atom N of residue 42
P5410
P65
P7680
P1882
Atom N of residue 42
Atom HB2 of residue 29
P2256
Atom HB3 of residue 54
P8168
P3840
P5212
ALA
P2468
P2651
P3712
P4401
Atom NH2 of residue 5
P220
Atom N of residue 1
P2588
ListSingletonContainer285
Atom HG21 of residue 44
P2684
Atom C of residue 70
P6455
P7086
Atom O of residue 75
P1792
P1324
P9475
P4378
P5055
P7555
Atom HG23 of residue 7
P2834
P3161
P6147
P4054
P7000
P2461
P4853
P6069
P5152
Atom H of residue 41
P12709
P2027
P6432
P2398
P8467
Atom N of residue 127
P5357
P7143
P5408
Atom HD11 of residue 36
P6993
Atom CA of residue 55
Atom ND1 of residue 68
P4995
SER
P2995
Atom HD23 of residue 73
P8270
P6259
P4205
P6921
Atom HD22 of residue 71
P2843
P4842
P7207
P2606
P3108
P7359
P10668
P6467
P4908
P3763
Atom CB of residue 66
P5280
P3056
P3833
P5213
P5646
P4413
P7657
P6141
P87
P2652
P3993
Atom H of residue 53
P3841
P8169
P4868
Restraint 140
Atom HB3 of residue 29
P4402
Atom HB2 of residue 54
P2
P7691
Atom N of residue 20
Atom HA of residue 7
P7681
P7890
P2685
P6456
P2651
Atom HA of residue 71
P2469
Atom HA2 of residue 75
Atom HG22 of residue 44
P7556
P2835
P3713
P7087
Atom C of residue 22
P3247
P7001
Atom HG3 of residue 2
P8468
P9476
P6148
P2257
P5153
P12710
P4379
P221
P8271
P4055
P6433
P5056
Atom HE3 of residue 48
P2462
P1883
CYS
P5358
P7144
P103
P7658
P6070
P2996
P6994
P4996
Atom O of residue 70
P6260
P4206
P2399
P4843
Atom CD2 of residue 68
P2607
P3109
P4414
P5409
P3997
P7208
P6468
P2028
P10669
P4909
P72
P7692
Atom O of residue 51
P3764
P7887
P7360
P5281
P3057
P3834
P9477
P5214
Atom CA of residue 57
P5647
P2844
P7682
P2652
Atom HG2 of residue 54
Atom HE2 of residue 45
Atom OG1 of residue 66
P6142
P1549
P4403
P6922
P8170
P88
P3163
P2686
P6457
P7088
SER
P3994
Atom HA2 of residue 53
P7888
Atom HB2 of residue 6
P2836
Atom CB of residue 26
P6071
P3249
P7002
Atom SD of residue 1
P2470
P5154
P3714
P2400
P12711
P4380
P2618
Atom HD21 of residue 25
P4851
Covariance1DFunction 53
P4056
Atom CD1 of residue 71
Atom HH22 of residue 74
P5057
P1884
P5359
P7145
Atom C of residue 57
P2258
P2997
P7557
P222
P7659
P8469
P6261
P4207
P104
P6434
Atom HD12 of residue 36
P2463
P3843
P4844
Atom CE1 of residue 68
P2608
P3110
P7361
P4415
P4997
Atom CA of residue 70
Atom HG3 of residue 54
Atom HG2 of residue 16
P7889
P6469
P8272
P3248
P6923
P4910
P3765
P7209
P5282
P3058
P3835
P9478
P5219
Atom CE of residue 1
P10670
Atom HG3 of residue 16
P5648
P2845
P1550
P2029
P4404
GaussianProcessInterpolationRestraint 38
Atom CB of residue 51
P5411
P7693
P6143
P6995
P7683
P3995
P3164
P8171
P4852
P2687
P6458
P2589
Atom C of residue 3
P89
Atom OG1 of residue 7
P2837
Atom HG2 of residue 29
P4057
P2401
ListSingletonContainer498
GeneralizedGuinierPorodFunction 2
P5155
Atom HG21 of residue 23
P7089
P7003
P12712
P4381
P7558
P2619
Atom HD22 of residue 25
P8470
P6072
Atom CD2 of residue 71
P6435
P3844
Atom C of residue 69
P3715
P2259
P1327
P5360
P2471
P8273
Atom CB of residue 20
Atom OE1 of residue 18
P5058
P2998
P7660
P6262
P4208
P2846
P1885
P4845
P2609
P3111
P4416
Atom O of residue 57
P6996
Atom HA3 of residue 53
P6470
P4998
P7146
P6925
P4911
Atom HA2 of residue 35
P223
P2464
P3766
Atom N of residue 69
P5283
P3571
P3836
P9479
P5316
P5649
Atom HG3 of residue 16
P7210
P2030
P10671
ListSingletonContainer286
ILE
Atom HD23 of residue 50
P7362
Atom C of residue 22
P5412
P1546
P1417
P1314
P1328
P3996
GaussianProcessInterpolation37
P4405
P68
P6144
P7694
P3165
Atom HZ3 of residue 27
P7684
P2688
P6459
Atom HG3 of residue 29
P8172
P4058
P8276
P2838
P2590
Atom HB2 of residue 20
P7004
P7559
P5156
Atom HD21 of residue 69
P7090
P12713
P4382
P2620
Atom HB of residue 14
P6436
P5059
P3845
P7891
Atom HB3 of residue 65
P5361
P2402
P6073
P3250
Atom C of residue 71
Atom C of residue 13
P2999
P3716
P6263
P2260
P4209
P2847
P4846
P2610
P3112
P2472
Atom N of residue 51
P6997
P6471
P7661
P8471
Atom HD1 of residue 4
P7147
P6926
P4912
P8277
P6
P3767
ListSingletonContainer8
P1424
P4999
P5284
P3595
P3837
P9480
P5650
P224
Atom HB2 of residue 20
P1886
P8274
P4417
Atom HD2 of residue 29
P110
Atom H of residue 66
P7211
P5317
P10672
P5415
P7695
P2465
P7363
Model 157
P7685
P4406
P4059
P3166
Atom OE2 of residue 51
P6145
P2689
P6460
Atom HD3 of residue 54
P0
GLU
Atom N of residue 28
P8173
P4383
P2839
P2031
P2591
P7005
P8278
Atom HG of residue 65
P0
P5157
P1547
P5413
P12714
Atom H of residue 17
Atom C of residue 39
P2621
P0
P1425
P7662
P6074
Atom HG of residue 20
P6437
P7560
P3846
P4852
P7091
Atom CA of residue 5
P5362
Atom HA3 of residue 35
P3998
P8472
P3251
P2403
P3596
P6264
P4210
P2848
P7892
P2680
P3113
P8275
P4418
Atom CG of residue 50
Atom HD3 of residue 29
ListSingletonContainer499
P5329
Atom HB3 of residue 31
P1315
P6472
P2261
P4913
P3000
P3768
P5285
P3838
P5328
Atom HB of residue 7
P5651
P6998
P1934
Atom CE1 of residue 3
P3717
P4407
P7148
P6924
P2473
P1312
P9481
P1887
P7212
P10673
P7
P7364
Atom HE of residue 54
P4060
P3167
Atom CE of residue 11
P2690
P6461
P6146
P7696
P225
Atom HB3 of residue 20
P5000
P7686
Atom HB of residue 66
P2840
P2592
Atom O of residue 22
P7006
P105
P8174
P109
P6999
P2466
ListSingletonContainer34
P5158
P8279
P1405
Atom CD1 of residue 50
P7092
P5414
P12715
Atom H of residue 51
P4384
Atom HA of residue 17
Atom O of residue 39
P2622
Atom N of residue 66
Atom HA of residue 1
P6438
P7561
P3847
P7893
P2032
P5363
Atom HG2 of residue 31
GeneralizedGuinierPorodFunction 5
Atom C of residue 30
P3252
P2404
P3001
Atom CD1 of residue 30
P1548
P7663
P6265
P71
P2849
P4868
P2800
P3114
P4419
P6075
P5330
P3999
P6473
P2262
P7149
P106
P4914
P3769
P5286
P3839
P9482
Atom HB3 of residue 20
P4211
Atom HD2 of residue 11
P5652
Atom CG1 of residue 17
P8473
P7697
P8280
P5001
P3572
P7687
P8276
P3718
Atom CZ of residue 42
P2474
Covariance1DFunction 30
P7213
P1406
P5220
P4408
P10674
P6927
P1888
Atom HG1 of residue 66
P7365
P3168
Atom CD of residue 2
P2691
P6462
P1552
Atom HA of residue 51
P6147
P92
P2841
P2593
P7000
P8175
P5159
P226
P6076
P4061
P12716
P4385
Atom HG22 of residue 44
P2623
P8281
P6439
P7562
P2467
P3848
P7894
P7007
ListSingletonContainer532
THR
P1239
GLU
P3253
P3002
P4850
P2033
P7093
P6266
P4212
P2850
P3115
P1407
P4420
P8474
Atom H of residue 30
Atom HB3 of residue 4
P4000
P6474
P7664
P2263
Atom HH11 of residue 54
P4915
P3770
P1901
P2678
P8277
P5287
P3842
P9483
Atom HG12 of residue 23
P5318
P5653
P5364
P5002
P3719
P3573
P6928
P5416
Atom HG11 of residue 17
Atom N of residue 3
P7150
ListSingletonContainer287
P5221
P4409
P1241
Atom O of residue 36
P3
P7214
P3169
P10675
P7688
P8158
P2692
P7366
Atom CD2 of residue 50
P6463
P2475
P4065
P2405
P1889
P2842
P3840
P2594
P6148
P1455
P7001
P1408
P5160
P8176
P12717
P4386
P7698
P2624
P1553
P6
P7094
P6440
P7563
P8273
P3849
P4851
P7008
P227
P4001
P6077
Atom HH12 of residue 54
P3254
P1600
Model 341
P7665
P2034
P6267
Restraint 96
P4213
P2851
Atom N of residue 5
Atom HG1 of residue 9
P2468
P3116
P4421
P4062
Atom CA of residue 24
P5365
Atom HG13 of residue 23
P6475
P4916
P3003
P1456
P3771
P2679
P5288
P9484
P5319
P5654
Atom HG22 of residue 5
Atom HG23 of residue 44
P5417
P8160
P1902
P1409
P8475
P2406
P93
P8274
P5003
P3720
P5222
P4410
P2264
P1242
P7151
Atom H of residue 75
P8278
P3170
P3
P3574
Atom HE3 of residue 29
P7215
P2693
P6464
P10676
P6929
P7699
P7367
P7689
P1
P2843
Atom H of residue 50
P3841
P2596
Atom CB of residue 14
P7002
P2476
P5161
Atom HH21 of residue 54
P107
P12718
P4387
P1457
P2625
P1890
Atom CB of residue 48
Atom OG of residue 20
P6441
P8177
P7564
P3850
P2651
P5004
P4063
P8275
P7151
P3255
P3004
P228
P1551
P3
P1415
P6268
P7009
P1601
P2852
Atom HG12 of residue 61
P3117
P4422
Linear1DFunction 17
P6078
P1248
P5366
P4002
P6476
P7095
P2595
P4917
P3772
P5289
P8476
P4214
P5320
P2469
P7666
P2035
P6930
P135
Atom HD11 of residue 44
P8279
P3575
Atom HZ1 of residue 29
P5418
P94
Atom C of residue 23
P5655
P7152
P9485
P5223
P4411
P2
Atom HG3 of residue 34
P1903
P3171
P7152
P7690
P2694
P3721
P6465
P2265
P2407
P7700
P7216
P10677
P8148
P2844
P7368
Atom HG22 of residue 9
P2652
P2477
P5162
P12719
P4388
P7003
P2626
Atom NH1 of residue 54
P6442
P7565
P3851
Atom HG13 of residue 61
GaussianProcessInterpolation18
P5005
P1249
P4064
P7010
P108
P8178
P4003
P1891
P1416
P7667
P6079
P3256
Atom C of residue 9
P3005
Atom HA3 of residue 75
P6269
Multivariate Normal distribution 37
P4215
Atom CE2 of residue 4
P2853
P4423
P136
Atom O of residue 23
P1451
P6477
Atom HZ2 of residue 29
P4918
P3773
P5290
P3843
Atom H of residue 20
P5321
P3118
P4412
P5367
P7153
P3576
P7096
P229
Atom CA of residue 10
P2036
P1250
P5656
P2470
P1423
P9486
P5224
P6931
P3172
P8477
P5419
P95
P8149
P2695
P3722
P6466
P2266
Atom HH22 of residue 54
Atom NH2 of residue 54
P7153
P1602
Atom N of residue 35
Atom HG21 of residue 61
P8280
P7217
P1904
P2845
P2597
P10678
Atom O of residue 1
P7701
P7004
P7369
P2408
P5163
P7691
P12720
P4389
P6443
P7566
P5006
P4
P2478
Model 197
P3257
P8179
P3006
Atom N of residue 76
P2627
P2616
P6270
P2854
P1452
P3119
P96
Atom HG12 of residue 13
P4004
P1892
P6478
P1413
P7668
Atom HZ3 of residue 29
P7011
ListSingletonContainer288
P4919
ListSingletonContainer533
P3774
P5291
P3844
P6080
P4216
P5322
P4424
P7097
P4413
P5368
P7702
P7
P7154
P3577
P8478
Atom HA of residue 20
Atom CD of residue 2
P5657
Atom HG22 of residue 61
P8281
P5225
P7692
P3173
P2037
P5420
P1603
P230
P3852
P8150
P2696
P6467
P9487
P6932
P2228
P2471
P4066
P7154
P3723
Atom N of residue 55
Atom H of residue 54
P8234
P7567
P1461
P7005
P7218
P10679
P2145
P5164
P1905
P7370
P12721
P4390
Atom CA of residue 76
P2846
P6444
P5007
P6081
P2409
Atom HG13 of residue 13
P2598
P2267
P3258
Atom HD11 of residue 30
P3007
P2628
P6271
P8180
P5323
P2855
P3120
P1414
P2479
P2224
P4005
P6479
Atom C of residue 19
P4920
P1465
P3775
P5292
P3845
P1243
P7012
P5658
P4425
P7669
P5369
P7703
P7155
P2617
P3578
P8232
Covariance1DFunction 33
P9488
P7098
P5226
P4414
P97
Atom NE2 of residue 31
P1893
P3174
P2038
Atom N of residue 30
P5421
P6511
P8151
Atom HG23 of residue 61
P2697
Atom HB3 of residue 2
P6468
P1319
P8479
P4067
P1604
P7693
P3724
P4217
P7155
Atom C of residue 71
P7006
P231
P8282
P5165
P2472
P7219
P10680
Atom HA of residue 54
P6933
P12722
P4391
P8233
P1466
P2629
P3853
P2847
P6445
P7568
Model 89
P73
P4006
P1906
P2599
P3259
P3008
P5008
P6272
Atom CD of residue 19
THR
Atom CA of residue 17
P5324
P2856
P3121
ScoreState 25
P6082
P2410
P8181
Atom CA of residue 43
P6480
Atom CZ of residue 59
P7670
P4921
P3776
P7371
P5293
P2268
P5659
P4426
P5370
P7013
Atom HD13 of residue 30
P2480
P7704
P2618
CHARMMStereochemistryRestraint6
P8234
P3846
P7099
P1606
P8480
P5227
P4415
P3175
P3579
P2039
P4
P4218
P6512
P8152
P7156
P8283
P2699
P6469
GaussianProcessInterpolationRestraint 25
P109
Atom N of residue 32
Atom OH of residue 59
P4068
Atom HG3 of residue 62
P3854
P1894
P2848
P3725
P9489
Atom N of residue 17
P6934
P5422
P7569
P7156
P5166
P232
P7694
P12723
P4392
P98
Atom O of residue 71
P1458
P2630
P7220
Atom CA of residue 30
Atom HA of residue 19
P10681
P6446
P2219
P8235
P7372
P5009
P7007
P2473
P2600
P3260
Atom HB3 of residue 32
P3009
P2698
P6273
P110
P2857
P1907
P3122
Atom C of residue 9
Atom H of residue 31
P4007
P6481
P4922
P8182
P3777
P5294
P3847
P6083
P5325
P4427
P4416
Atom CA of residue 55
P5371
P2411
P7705
P1459
Atom HB3 of residue 41
P2619
P3580
P2269
P7014
P7671
Atom HG23 of residue 30
P5660
P5228
P2481
P3176
ILE
P6513
P1608
P8153
P1895
P7157
P3726
P6470
P7100
ListSingletonContainer36
P2040
P4219
P4069
P7695
P2849
P6935
P5423
P70
P7574
P3855
P8481
P9490
Atom C of residue 55
Atom HE21 of residue 62
P5167
Atom H of residue 59
P7157
P12724
P4393
Atom CB of residue 71
P2631
P8284
P6447
P7221
P7373
P5010
P10682
P1460
P7008
P4008
P2601
Atom HB2 of residue 19
P3261
Atom N of residue 33
P3010
P99
P6274
Atom CE1 of residue 4
Atom OD2 of residue 32
P2858
P2474
P3123
P4428
P7672
P6084
Model 39
P233
Atom HG2 of residue 41
P6482
P4923
P3778
P5295
P3848
P8183
P5326
Atom HD2 of residue 59
P4417
P5372
ListSingletonContainer289
P8240
P2620
P3581
P7570
P1908
P0
P7015
P7706
P5661
P5229
P2270
Atom O of residue 55
P4070
P2412
P2220
P3177
P7101
P1353
P22
P5424
P6514
P3856
P8154
P2700
P8482
P6471
P2482
P7158
P2850
P8285
P2041
P4220
Atom HE22 of residue 62
P5168
Atom CE2 of residue 59
P9491
P6936
P12725
P1605
P4394
P2632
P8241
P3727
P7158
P6448
Atom C of residue 67
Atom HB3 of residue 37
P7696
P5011
Atom C of residue 30
Atom H of residue 32
Atom CG of residue 71
P4009
P7222
P2602
P10683
P3262
P3011
P7374
P6275
P2859
P7009
P1896
P3124
P4429
Atom HG3 of residue 41
GaussianProcessInterpolation17
P6483
P1354
P9
P4924
P100
P3779
P3857
P5296
P5327
P2475
P7673
P5377
P8184
P7707
P234
P2621
P3582
P6085
P4221
P3849
P6937
P5425
P5662
P5230
P4418
P2271
P7016
P2221
Atom HG11 of residue 5
P1909
P7375
P3178
Atom HE2 of residue 4
ListSingletonContainer500
P7571
P8155
P7159
P2701
P6472
Atom HG2 of residue 41
P7697
Atom CZ2 of residue 123
Atom HB3 of residue 19
P4071
P6515
P4395
P2851
Atom CG of residue 60
P7102
P111
Atom HG2 of residue 37
Atom C of residue 24
P2413
P5169
P2483
P12726
P2633
P3728
P8483
P2042
P9492
P6449
Atom O of residue 67
P1897
P7159
P1308
P7010
P8286
P4
P2603
P3263
P3012
P7223
P6276
P6086
P10684
P10
P4222
Atom HE21 of residue 2
P5332
P2860
P3125
Atom CB of residue 55
P4010
P6484
P0
P5012
P4925
P2226
P3780
P5297
P3850
P101
Atom HE21 of residue 41
Atom OD1 of residue 52
P4430
P4419
P5431
P7708
P2622
P3583
P8185
P7572
P3858
P7674
Atom CE2 of residue 4
P6938
P5426
SingletonScore 13
P5663
P2476
Atom CZ3 of residue 123
P5231
P236
P7376
P3179
P7017
Model 138
P6516
P8156
P6473
Atom O of residue 30
P2272
Atom CD2 of residue 67
P1910
P7103
P4072
Atom H of residue 21
P0
P2852
P8484
P5
Atom HG3 of residue 41
P2702
Atom O of residue 24
ListSingletonContainer501
P5170
P7160
P8287
P112
P12727
P2634
P2043
P6450
P2414
P5336
Atom H of residue 40
P9493
Atom CG of residue 19
Atom HB2 of residue 49
P2604
P3264
P7160
P2484
P3013
P3781
Atom OD1 of residue 39
P6277
P4223
P2861
P2052
P1898
P7224
P3126
P10685
P7698
P4011
P6485
P5013
P3729
P4926
P7011
P3859
P5298
P3851
P6087
Atom OG1 of residue 55
P1743
Atom OD2 of residue 52
P4431
P7675
Atom CB of residue 30
P4420
Atom HG2 of residue 34
Atom HE2 of residue 63
P4396
P2623
P3584
Atom HB2 of residue 21
P74
P5375
P6939
P8186
P5664
P7573
Atom HD11 of residue 13
P2477
P5232
P4073
Atom H of residue 67
P7161
P7377
P3180
Atom C of residue 60
P6517
P8157
Atom CH2 of residue 123
P6474
P7018
P5427
P102
P2853
P2273
P2052
Atom HA of residue 40
P1911
P2047
P2415
Atom HB3 of residue 49
P5171
P2
P7104
P12728
Atom H of residue 63
P2635
Atom HE21 of residue 41
P2703
P3
P5
P6451
P7712
P7699
P282
P4012
P3860
P8485
P9494
P2605
Atom HG3 of residue 34
P3265
P3014
P2053
P6278
P4224
P7161
ListSingletonContainer290
P2862
P3127
P8288
Atom CG1 of residue 30
P5376
P4397
P7225
P6486
Atom OD2 of residue 39
P10686
P4927
P2485
P5331
P3782
P1899
P5299
Atom O of residue 60
P3852
P7012
P5014
P3730
P4421
Atom CG of residue 33
Atom HD22 of residue 67
P0
P2624
P2435
P4432
P3585
P2049
P6088
P2278
P6940
P5665
P4
P5233
P4074
P8187
P7378
P3181
P7676
P6518
P2225
P7709
Atom HG21 of residue 30
P1740
P8161
P6475
P5428
P121
CHARMMStereochemistryRestraint10
P2478
P7019
Atom HA of residue 63
P2053
P7162
Atom CG of residue 52
P2854
GeneralizedGuinierPorodFunction 21
Atom CG2 of residue 55
P1912
P7105
Atom CB of residue 19
P7575
P103
P5172
P8486
P6
Atom HB2 of residue 2
P12729
P4398
P2636
P2704
P6452
Atom HG2 of residue 49
P7700
P8289
Atom H of residue 57
P3861
P2606
P3015
P9495
P6279
P4225
P6149
P2863
P3128
Atom N of residue 35
P7162
P2229
Atom HE2 of residue 6
P4013
P6487
P5015
P3266
P4928
P2416
P7226
P5300
P7677
P3853
P6089
P10687
P7710
Atom H of residue 39
P4422
P7013
Atom N of residue 41
P1900
P2625
P3586
P2486
Atom HE3 of residue 6
P3783
P3731
Atom H of residue 55
Atom CD of residue 33
P5666
P1744
P8162
P5234
P2301
Atom CB of residue 11
Atom HB2 of residue 63
P2
P3182
P4433
P6941
P8188
P2437
P6476
P5429
Atom CG of residue 27
P7379
Atom O of residue 19
P4075
P280
P2855
P7020
P4399
P7711
SingletonModifier 2
P6519
P7576
P5173
P2479
P7163
P12730
P5068
P2637
P1913
P2705
P2046
Atom CG2 of residue 30
P7106
P104
Atom HA of residue 57
P4014
P3862
P2607
P3267
P2230
Atom HG3 of residue 49
P3016
P7701
P6280
ListSingletonContainer37
P4226
P6453
P2864
P3129
P8487
P9496
P2417
P6488
Atom HG3 of residue 37
P7163
P4929
P3787
P8290
P5301
P3854
Atom HA of residue 55
P7227
P4423
P10688
P6505
P1901
P2626
P3587
Atom CG2 of residue 78
Atom H of residue 9
P7014
P2009
Atom NZ of residue 29
P5016
P7678
P6942
P5430
P5667
PHE
P5235
P6090
P4076
P113
P2487
Atom HB3 of residue 63
P7380
P3183
P4434
P3732
P1745
P2434
P6477
P8189
ListSingletonContainer513
P7702
Atom CB of residue 40
Atom C of residue 8
P3784
P8159
P7164
P2856
P4400
P7021
P6520
P5174
P2277
P12731
P2638
P281
P2022
P2706
P7107
Atom CD1 of residue 30
P5069
P8488
Atom CD of residue 27
P114
P7577
P2480
P3863
P1914
P5
P2608
P3017
P8256
P105
P8291
P6281
P4227
P6454
P2865
P3130
P6506
P4015
P6489
P9497
P1356
P6091
Atom HD2 of residue 37
P3268
P4930
Atom CB of residue 3
P5302
P7164
P2418
P2010
P7228
P2627
P4435
P3588
Atom CD1 of residue 78
P10689
ListSingletonContainer35
P2227
Atom HG3 of residue 16
P6943
P5431
P75
Atom HG2 of residue 6
P5668
P7015
Atom HD11 of residue 23
P5017
SingletonScore 6
P5236
P4424
Atom HA of residue 9
P7713
Atom CA of residue 57
P3785
P1902
Atom HE2 of residue 29
P7381
P3184
P7679
P8257
P1747
P6478
P7703
P3733
P4077
Atom HZ1 of residue 11
P8190
P2488
P277
P7902
P2857
P2438
P7578
P5175
P1357
Atom CG of residue 17
P7022
P12732
P2639
P2707
P3855
P6521
P7165
Atom CE of residue 27
P5070
P3864
P2609
P1311
P3269
P3018
Atom H of residue 29
P7108
P6282
Atom HD3 of residue 37
P4228
P6150
P6455
P2866
P8258
Atom C of residue 6
P1915
P3131
P1749
P2481
P4016
P6490
P3
ListSingletonContainer291
P4931
P4401
Atom C of residue 57
Atom CA of residue 17
P5303
P9498
P4436
P7165
P2419
P2628
P8292
P3589
P1688
P6092
P106
P7229
P7680
P10690
P6944
P5432
P5669
P6511
P5237
P4425
P4078
P2232
P7016
P3786
P7382
P5018
Atom HB of residue 55
Atom HB2 of residue 28
P6479
P7704
P7714
P7904
P2858
P3185
P3856
P8191
Atom H of residue 42
P3734
Atom C of residue 40
P6522
P2489
P5176
P12733
Atom HB3 of residue 42
P2640
P278
P1972
P1903
P2708
P7023
ASP
P7579
P4017
P3865
P7166
P7109
Atom H of residue 30
P2610
P3270
Atom OE1 of residue 62
P4402
P5071
P3019
P1691
P6283
P6456
ListSingletonContainer503
P2867
Atom CD of residue 6
P1916
P3132
P4
P4437
P1343
Atom HA of residue 74
P6491
P8293
P5060
P2233
P5304
P4229
P9499
Atom HG2 of residue 48
P2420
P8259
P6512
P2482
P3590
P7
Atom HG1 of residue 55
P6151
Atom H of residue 72
P5433
P5670
P7230
Atom CA of residue 35
P3857
P5238
P4426
P6093
P10691
P4079
P2629
P107
P7017
P5019
P6480
Atom HD12 of residue 30
P115
P7705
P7681
P6945
P7715
P1746
P7905
P2859
P2436
P8294
P3186
P7166
Atom N of residue 30
Atom HG2 of residue 42
Atom HB2 of residue 18
P7383
Atom C of residue 74
P8192
P78
P7580
P5177
Atom CD1 of residue 56
P12734
P8260
P2641
P2709
P4403
P1973
P1904
P7024
P4018
P3866
P7167
P3735
P2681
P3271
P6523
P3020
P279
P1693
P6284
P6457
P5072
P2868
P3133
P4438
Atom HA of residue 30
P2490
Atom HB3 of residue 28
P6492
P7110
P8
P5062
Restraint 15
P3788
P5305
Atom HA of residue 72
P3858
P4230
P6152
Atom HG21 of residue 23
P0
Atom HG12 of residue 61
P1917
P2630
P7682
P3591
P9500
P6094
Atom O of residue 13
Atom NE2 of residue 62
P8261
Atom N of residue 22
Atom HD2 of residue 48
P7167
P5434
P5671
P5239
P4427
Atom HG21 of residue 55
P4080
P2421
P7716
P2483
P7231
P3187
P10692
ILE
P6513
P2439
P6481
Atom HG2 of residue 18
P7018
Atom H of residue 35
P5020
P6946
P2860
P116
P6524
P4404
P108
P7706
P7384
Atom HD2 of residue 29
P5178
P7903
P12735
P2231
P2642
P2710
Atom O of residue 74
P7168
Atom HB of residue 30
Model 387
P7581
P4019
P3867
P6493
P2723
P3272
P7025
ILE
P3021
Atom HB3 of residue 74
P1974
Atom HB2 of residue 72
P6285
P4231
P6458
P2869
Atom HG13 of residue 61
P3134
P8501
P7111
P5073
P3
Atom HG22 of residue 55
P5063
P3789
P5306
P3736
P1
P6153
P77
P6514
P241
P1905
Atom C of residue 56
P2491
P1918
P9501
P7168
P5435
P5672
P8262
P2441
GLY
P5240
P4428
Atom CB of residue 74
P4081
P2631
P3188
P7683
P1689
Atom HD3 of residue 48
P7717
P7232
P6482
P3859
P6095
P10693
Atom HE22 of residue 31
P7707
P8502
P3592
P7019
P2484
P2861
P5021
P4405
Atom CZ of residue 14
P242
P4439
Atom HG12 of residue 30
P6947
P5179
Atom CG of residue 48
P12736
P2643
P2711
P7385
Atom H of residue 62
P6525
P2422
Atom HD3 of residue 29
Atom HG21 of residue 61
Atom HG2 of residue 74
P7169
ListSingletonContainer292
Atom HE22 of residue 41
P7582
P8264
P4020
P7906
P6494
Atom H of residue 3
Atom O of residue 56
P3022
P1975
P6286
P19
Atom NE of residue 74
P4232
P7026
P6459
P2870
SingletonConstraint 2
P3135
P2679
P3868
P8503
P3273
P5074
P3790
P5307
P3737
Atom HG3 of residue 48
P6154
P5678
P7112
P4429
P6096
P0
P5061
Atom HB3 of residue 2
P1906
P2632
P1737
UnaryFunction3
P128
Atom H of residue 27
P6515
P2442
P9502
P5241
P2492
P8266
P3189
Atom HB3 of residue 72
P7169
P7718
P1919
P4440
P1
P6483
P5436
P7708
Atom CD of residue 48
P7233
P7684
P3593
P10694
P4082
P6948
P2862
P3860
Atom CD of residue 72
P4406
P7020
P7386
P5022
P2423
P7583
P5180
P243
P12737
P2644
P2485
P2712
Atom HG23 of residue 55
P4021
P3869
P6495
P1690
Atom HD12 of residue 3
P7170
P6526
P3023
P8263
Atom HG22 of residue 61
P3791
P7170
P6287
P25
P6460
Atom HB2 of residue 42
P2871
P3136
Atom HA of residue 27
P2680
P7027
P5679
P1976
Atom CZ of residue 74
P3274
P7907
P5308
P7113
Atom HG13 of residue 30
P4233
P6155
P5075
Atom HB2 of residue 29
P4430
P2633
P1739
P3738
Atom H of residue 74
SingletonModifier 3
P2440
P4441
P5437
Atom HG2 of residue 31
P5242
P6097
P3190
P7685
P3861
P9503
Atom HA of residue 3
P26
Atom HG23 of residue 13
ASP
P5066
P7719
P6516
P6484
Atom CB of residue 25
P257
P3594
P4083
P2493
P1907
P7234
P1920
P2863
P10695
P1
P39
P7171
P7021
P5181
P5023
P2653
Atom NE of residue 72
P12738
P2645
P2713
P6949
P6527
P4407
P8508
P1694
P2424
P7584
P4022
P6496
P7387
P3275
P7171
P3024
LYS
P2486
P3792
P6288
Atom N of residue 56
P6461
P2872
P7908
Atom CE of residue 48
P3137
P244
P3870
P0
P7028
P7712
Atom HB2 of residue 27
P5309
P3862
P4234
P6156
Atom HB3 of residue 29
P1977
P2
P4431
P5076
P2634
Atom N of residue 74
P117
P40
ARG
P5676
P1761
P7114
P6517
P4442
P3739
P18
Atom CG of residue 25
P3191
Atom CZ of residue 72
P5067
P7720
P2457
P6485
P9504
P6098
P6950
P5438
P2864
P4084
P4408
P7235
P7686
P10696
P129
P5182
Atom C of residue 42
P3599
P2654
P5243
Atom CG of residue 27
P118
P2494
P12739
P7022
P2646
P7709
P1921
Model 377
P2714
P5024
P1908
P7172
Atom HD12 of residue 56
P7585
P6497
P3276
P7172
P3025
Atom HA of residue 2
P3793
P1738
P7388
Atom HG21 of residue 30
P6289
ListSingletonContainer41
P6462
P2873
P7909
P3138
P6528
Atom HA of residue 11
P2487
P4023
P3871
P1698
Atom HG1 of residue 9
P5677
P1762
P5310
P3863
P6157
P7029
P5064
P1502
P4443
P4235
P111
P245
P2635
P8505
Atom HA of residue 25
P7115
P2425
P5077
P1388
P1978
LEU
P5439
ListSingletonContainer485
P7687
P4432
P6099
P3192
Atom HB2 of residue 4
P7710
GaussianProcessInterpolation2
P3740
P6486
Atom HA2 of residue 53
P2458
P3600
P9505
P5244
Atom CD of residue 27
Atom CD of residue 19
P7721
P6518
P2865
Atom HB2 of residue 43
P4085
Atom HD13 of residue 56
P6951
P5183
P7236
P1692
P10697
P6529
P12740
P2647
P0
P2715
Atom HD2 of residue 72
P4409
P7023
P1741
P5025
P2614
P2495
P3072
P7586
P3872
P1922
P6498
P3277
P7173
P3026
P1503
P1766
P7711
P7173
P6290
ListSingletonContainer293
P6463
P2874
P1909
P3139
P7389
P4444
P5065
P4024
P8506
Atom HB2 of residue 25
P3794
P7910
P5311
P3864
P6158
P42
P7030
P2426
P1389
P2488
P2636
P4105
Atom C of residue 25
P6519
Restraint 141
Atom NH1 of residue 72
P5440
P5078
P4433
Atom CE of residue 27
P4236
P112
P246
P1979
P1743
P3193
P7116
P72
P7722
P6487
P2443
P7688
P5245
Atom CA of residue 56
P2866
P8507
P3741
P9506
P6100
P1504
P3597
P4981
P7587
P1390
P5184
P7911
Atom HB3 of residue 43
P12741
P2648
P7237
P2716
P10698
Atom HD21 of residue 56
P6952
P4410
Atom OE1 of residue 16
P7174
P3073
P7024
P4025
P3873
P6499
P5026
P3278
P6530
P3027
P3795
P6291
P6464
P2875
Atom HA3 of residue 53
P3140
P2615
Atom C of residue 56
P4086
P7174
P2496
P1767
P7390
P4106
Atom CA of residue 1
Atom NZ of residue 27
P1910
P5312
P3865
P6159
P1923
P4445
P4237
P2427
P2637
P7031
P1495
P1748
P6101
P2489
P3598
P7117
P119
P4982
P5079
P1382
P1980
P3194
P4434
P7723
P6520
P247
P8509
P6488
LYS
P113
GeneralizedGuinierPorodFunction 50
P2867
P3742
Atom O of residue 25
P41
SingletonScore 19
P4411
Atom CG of residue 4
P2444
P7689
P9507
P6953
P7588
P5185
P7713
P7912
P5246
P12742
P2649
P2717
GaussianProcessInterpolationRestraint 5
Atom OG1 of residue 22
P7238
Atom HG of residue 43
P10699
Atom O of residue 56
P4087
P4026
P3874
P6500
P3279
P7175
P3028
P7025
P5027
P6292
Atom N of residue 5
P5441
P6465
P2876
P3142
P4446
P2616
P21
P6531
P1383
P7175
P1740
Atom HG2 of residue 42
Atom N of residue 54
P3796
P7391
P5313
P3866
P4103
P4238
P6160
P3060
P2497
Atom HB2 of residue 2
P2638
P1496
P8510
P3153
Atom H of residue 16
P7032
Atom CA of residue 2
P1981
P1924
P3195
P5080
P7724
P3141
P6489
P6102
P120
P1911
P7690
P7118
P12743
P6521
P2654
P2868
P3743
P4435
P2428
P4412
P5186
P2490
P7913
P9508
P5247
P1521
P7176
P2445
P2718
P5442
P4938
CHARMMStereochemistryRestraint9
P248
Atom HE2 of residue 27
P3061
P7589
P1384
P7714
P4027
P3875
P1563
P7239
P6501
P10700
P3280
P7176
P6954
P6532
P3029
P1340
P3797
P1744
P4104
P6293
P41
P4088
Atom HE3 of residue 1
P6466
P7026
P4447
P5028
P2617
P0
P1497
P5314
P3867
P6161
P2877
P7392
P2498
ARG
P1764
P1912
P2639
P3154
ListSingletonContainer486
P114
Atom H of residue 27
P7033
Atom CB of residue 14
P2675
P3196
P6522
P8511
P6490
P7119
ListSingletonContainer44
Atom CB of residue 56
Atom N of residue 29
P5081
P1385
P1925
P2429
P12744
P2869
P4436
P6103
P4239
P6955
P5443
P8
P7725
P7590
P5187
P7914
P5248
P1498
P2719
P3744
P7691
P9509
P1522
P4939
P4413
P115
P1806
Atom H of residue 17
Atom O of residue 13
P3062
P7715
P2491
P4028
P3876
P6502
P3281
P7177
P1982
P3798
P7177
P7240
P6294
P10701
P6467
P249
P3143
P2446
P4448
P2618
P44
P7027
P2
P5029
P4089
P3030
P1564
P5315
P6162
P6533
P2878
P1393
P1745
Atom HA of residue 27
Atom C of residue 62
P1765
P2640
P7393
P3868
P5444
Model 342
P4191
P2499
P1499
P3197
P3077
P4437
P4240
P7034
Atom H of residue 57
P7692
P6491
P6104
LYS
P1807
P1926
Atom CB of residue 13
P2430
P5082
P2870
Atom CG of residue 56
P4414
P1913
P7120
P12
P4090
P121
P7726
P6523
P2653
P5188
P7716
P5249
P12745
P8512
P2720
P6956
P4940
P7915
Atom HA of residue 17
P9510
P1515
P6534
P3063
P7591
P3877
P3282
P2447
P6295
P6468
P2879
P7241
P3144
P4449
P2619
P10702
P2492
P4029
P7178
P6503
P3745
P8253
P3031
Atom HE of residue 72
P7028
P1769
P1983
P3799
P1559
P5030
P5855
P6163
P7178
P116
P250
P1742
Model 109
P1507
P2641
P7394
P3869
Atom HG3 of residue 27
Atom C of residue 29
P4192
P4438
ListSingletonContainer38
P4091
Atom HD2 of residue 4
P1398
P6524
P3198
Atom SD of residue 1
P6492
P7035
P43
P1914
P4241
P2500
Atom HA of residue 57
P2871
P8513
P8254
P3078
P7121
P4415
P5083
P1927
P7693
P1516
P5445
P5189
P7916
P5250
P6105
P12746
P7717
P2721
P4941
P7727
P3064
P7592
P4030
P3878
P9511
P3283
P6957
P3032
Atom HH11 of residue 72
P3800
P7179
P5857
P6296
Atom O of residue 54
Atom O of residue 32
P6469
P2431
P2880
P1771
P4450
P2620
P3
P6535
P7242
P6504
P10703
Atom CD1 of residue 56
P117
P1512
P8255
Atom H of residue 2
P3870
Atom HD2 of residue 27
P6164
P7179
P7029
P3145
P2448
P5031
P3746
P4439
P251
P2493
P2642
Atom N of residue 93
P4107
P1391
P1803
P6493
von Mises sufficient 12
P7395
P11
P4092
ListSingletonContainer325
P1984
P1560
P3199
P6106
P1306
P1517
P5446
P7036
P6525
P1774
P2872
P3079
P4242
P5084
Atom HB2 of residue 57
P7728
P5190
P7917
P1915
P1747
P5251
P2501
P12747
P1394
P7718
P1928
P2722
Atom HD11 of residue 43
P7694
P7122
P6958
P4942
P4416
P3065
P7593
P3879
P8514
Atom CD2 of residue 56
P3284
UnaryFunction28
P3033
P3801
P9512
P6297
P1524
P6470
P2881
P2621
P4031
P6509
Model 48
Atom CE of residue 33
P7243
P10704
P6165
P6536
Atom HB2 of residue 72
P7180
P4451
P3747
P8217
P4440
P2
ListSingletonContainer487
P1392
P7030
P2643
P5032
P5829
ASN
Atom HD3 of residue 27
P4243
Atom HB3 of residue 62
P7180
P184
Atom CA of residue 1
P2432
P118
P3146
P2449
P6494
P3871
P0
P1505
P4093
P1985
P2494
P7396
P3200
P4108
P0
Multivariate Normal distribution 5
P5447
Atom H of residue 1
Atom CA of residue 58
P1768
P1561
P252
P2873
P3080
P6107
P7037
ASP
P4417
P1804
P7695
ListSingletonContainer69
P6526
P5191
P7918
P1916
P8515
P7123
P5252
Atom H of residue 56
P1528
P12748
P5085
P7719
P2723
P4943
P1675
P3066
P7594
P119
P4032
P3880
P7181
P1929
Atom HD12 of residue 43
P2055
P2
P3285
P2502
P3034
P3802
P6298
P4244
P6471
P2882
P4452
P8497
P9513
P2622
P6959
P6537
P46
P1506
P6510
Atom HG2 of residue 62
P3872
P6166
P7181
Atom HD21 of residue 56
P2433
P7244
P1746
P8218
P10705
THR
P1808
P2644
P5830
P7729
P7031
P3147
P2450
P5033
P6495
Atom CD of residue 19
P5448
Atom HG13 of residue 3
P2051
P4094
P3201
P7397
P3748
Atom HA of residue 31
P2495
P4441
P5
Atom HD22 of residue 56
P6527
P2874
P3081
P4418
P1
Atom HA of residue 62
P7038
P7595
P5192
P1986
P5253
P6108
P17
P6960
Atom N of residue 33
P12749
P7730
P253
P7720
P2724
P5086
P1809
P8498
P3067
P3881
P1917
Atom HD13 of residue 43
P7696
P7124
P3286
P3035
P3803
P7919
P1567
P6299
P4245
P6472
P1676
P2883
P1930
P6507
P8516
P8219
P2623
P7182
P9514
Atom HA of residue 56
P1523
P2503
P3873
P6167
ListSingletonContainer308
P4944
Atom CD2 of residue 123
P4453
P120
P2645
P5831
P10706
P6538
P3148
P6496
P5449
Atom HG2 of residue 2
Atom HB2 of residue 31
P7032
P5034
P4095
P7182
P1332
P2451
P3202
Atom CG of residue 63
LYS
Atom HB2 of residue 62
P45
P4033
P7398
Atom HB3 of residue 27
P1332
P2434
P7245
P2875
P1468
P3749
P7697
P3082
P6109
P38
PairScore 2
P5193
P1987
P2496
P1568
P5254
P7039
P12750
P7732
P1
P2725
P4419
P6528
P3
P8517
P7125
Atom CD1 of residue 61
P4442
P1527
LYS
P5087
P3068
P7596
P7721
P3882
P3287
P6961
P3036
P254
P1810
P7920
P6300
P4246
P4945
P6473
P6539
Atom CB of residue 4
P2884
P1931
P6508
P4454
P8220
P2624
P8515
P3804
P8499
P3874
P9515
P6168
P150
Atom NE1 of residue 123
P1671
Atom HG22 of residue 12
Atom HB3 of residue 31
P2504
P1918
P2646
P1469
P5832
Atom CD of residue 63
P7246
P3149
P6497
P5450
P4034
P1565
Model 122
P7033
P2452
P3203
P5035
Atom HD12 of residue 61
P2435
P6529
P7183
P3340
Atom HB2 of residue 56
P4096
Atom HD23 of residue 56
P8516
P121
P2876
P7399
P3750
P3083
P4420
P4443
P10707
P5194
P1935
P1481
P5255
Atom CA of residue 48
P12751
P7733
P7722
P2726
P7183
Atom HD2 of residue 68
Atom HZ2 of residue 63
P6110
P3069
P7597
P404
P2497
P3883
Atom H of residue 8
P3288
P5088
P3037
P3805
P8500
Atom HA of residue 61
P6301
P4247
Atom CA of residue 33
P4946
P6474
P2885
P1988
P2
P4455
Atom HA of residue 32
P7126
P2625
Atom HG2 of residue 27
P0
P6962
P7921
Atom CE of residue 63
P1811
P8518
P7698
P3875
P6169
P7040
P6540
P8221
P9516
ListSingletonContainer488
P7184
P2647
P5833
Atom N of residue 11
Atom CE2 of residue 123
P1919
P7247
P3150
P6498
P1566
P1938
P10708
P8193
P2505
P1672
P3204
P7034
P4035
P5036
P3754
P4444
P7184
P5451
P6111
P2877
P3341
P3084
P2436
P4421
Atom HE1 of residue 68
P7400
Atom HB3 of residue 56
P7598
P6530
P5195
P405
P5256
Atom CA of residue 32
P12752
P122
P7723
P2727
Atom HB of residue 61
P75
Atom HG22 of residue 5
P1941
P2453
Atom HB2 of residue 32
P7041
P7731
P3070
P2498
P3884
Linear1DFunction 0
P1456
P7699
P3289
P6963
P48
P3038
GLU
Atom HZ3 of residue 63
P7922
P8519
P7127
P6302
P4248
P6475
Atom O of residue 8
P5089
P2886
P0
P2626
Atom N of residue 48
Atom HB2 of residue 27
Atom N of residue 50
Atom NZ of residue 63
P1989
P3806
P3876
P6170
P4947
P8517
P8222
P2648
P5834
P8501
P9517
P76
P6541
P7185
P3151
P6499
P5452
P4445
P10709
P8196
P7248
P3342
P3205
P7185
P7035
P5037
P3756
Atom H of residue 61
ASP
P2506
P1673
P4036
P2878
P3085
Atom H of residue 49
Atom HE3 of residue 63
P1920
P4456
P123
P8518
P2437
P7599
P5196
P1457
P7401
P5257
P6112
P12753
P7724
P2728
Atom HG of residue 56
P4422
P6531
P7042
P7734
P3071
P3885
P7249
P7700
P3290
P3039
P123
P1812
P3807
Atom HB3 of residue 32
P6303
P4249
P4105
P6476
P2887
P6
P2627
P5090
P2499
P1933
P2454
P8502
P1337
P388
P3877
P7128
P6171
P6964
P4948
P6542
P4037
P7923
P8223
P4446
P1990
P2649
P3243
P8520
P5835
Atom HG13 of residue 3
P7186
P6500
P9518
Atom CE of residue 11
P13
P5453
P1458
Atom HD11 of residue 56
Atom CA of residue 87
ListSingletonContainer296
P47
P3206
Atom HA of residue 49
P4457
P7
P10710
P1814
P7036
P3343
P5038
ScoreState 5
P3086
P7186
P4423
P2438
P2507
P1678
P3075
P7600
P6532
P5197
P1921
P3242
P5258
P12754
P7735
Atom CB of residue 21
Atom O of residue 24
P2879
P2729
P7402
Atom O of residue 65
P4106
Model 198
P6113
P6965
P4038
P3886
P7924
P7250
P4
P3753
P3291
Atom HZ2 of residue 6
LEU
P3040
P6304
P4250
P7043
P6477
P2888
P0
P124
P7725
P1459
P7701
P2628
P3157
P2654
P8521
P7129
Covariance1DFunction 73
P10711
Atom HG23 of residue 17
P7187
P5091
P3808
P3878
Atom NZ of residue 11
P6172
P4949
PairScore 5
P2455
P8224
P4447
P389
P2500
P5836
P8519
P6501
P5454
P1991
P8503
P9519
P6543
P7187
P3344
P3207
P7044
P4458
Atom HB2 of residue 49
Atom CG of residue 21
P2880
P7702
P3087
Atom CB of residue 56
P7037
P1460
P5039
P1682
P3151
P7601
P5198
P5259
P6114
ListSingletonContainer39
P12755
P1816
Atom HA of residue 12
P2730
P8520
P4424
P2439
P2508
P4039
P3887
P7251
P2
P3292
P3041
Atom CB of residue 24
P6533
P6305
Atom HA of residue 11
P6478
P7736
P2889
P7726
Atom H of residue 46
P2629
P4103
P6966
P7925
P1922
P2675
P7188
P6544
ListSingletonContainer489
P3809
P7188
P3879
Atom N of residue 9
Atom HD12 of residue 56
P4251
P6173
Atom HB of residue 61
P4950
P5092
P2456
P7403
P8225
P8504
P4448
P3159
P3155
P5837
P7130
P10712
P1461
P4459
P6502
P5455
GLN
P125
P390
P8522
P2501
P3208
P9520
P7045
P1992
P1
P2881
P3345
P7703
P3088
P4425
P6534
P1813
P7737
P7038
P5199
P5040
P5260
P125
P12756
P3074
P1320
P7602
P4040
P3888
P7252
P7404
P3293
P50
P3042
Chain A
P3810
P3156
P1462
P2731
P6306
P6115
P4252
Atom HG12 of residue 61
P6479
P2890
P4460
P2630
P4104
P2440
Atom CB of residue 28
P7189
P1677
P7727
P3880
Atom N of residue 54
P6174
P6967
P4951
P7926
P2653
P8523
P8226
P7131
P4449
P2509
P5093
P5838
Atom HA of residue 46
Atom O of residue 10
Atom HD13 of residue 56
P6545
P1923
P7189
P5456
P10713
P8521
Atom CG of residue 45
P3346
Restraint 160
P3209
Atom HB2 of residue 11
P7046
Atom CA of residue 49
Atom HG21 of residue 23
P391
P2459
P8505
P6503
P9521
Atom CE of residue 29
P3135
P126
Atom O of residue 17
P6511
P5261
P126
P2502
P2882
P1463
P7704
P3089
P6116
P5200
P1993
Atom O of residue 43
P12757
P7039
P5041
P4426
P6535
Atom N of residue 34
P14
P7738
P7603
P4041
P3889
P7405
P3294
P8522
P3043
P3811
SingletonConstraint 3
P2732
P6307
Atom CA of residue 54
P4253
P6480
P2891
Atom N of residue 40
P7728
P7253
P4461
P2631
P6968
P7927
P7132
P7190
P2813
P3881
P6175
P4952
Atom C of residue 49
P8227
P4450
P1464
P5839
P10714
P5094
P8506
P5457
Atom OE2 of residue 18
Atom HB1 of residue 46
P6546
P2510
P49
Atom H of residue 28
P7190
P3347
P3210
P7047
P2441
P3136
P1924
P8524
P6504
ListSingletonContainer297
GLU
P6512
P9522
P5262
Atom HB3 of residue 11
Atom HG22 of residue 23
P392
P7705
P3091
Atom C of residue 41
Atom HD21 of residue 56
Atom NZ of residue 29
Atom HG12 of residue 61
Atom CE of residue 1
P127
Atom CB of residue 12
P5201
P2460
P1472
P12758
P2503
P2883
P2733
P0
Atom HD23 of residue 15
P4427
P5042
P6117
P7604
P4042
P3890
P7254
P3295
P3044
Atom HB3 of residue 39
P6536
P1994
P3814
P6308
Atom C of residue 53
P4254
P6481
P7739
P2892
P7406
P4462
P2632
P3090
Model 139
P2814
P3882
P6176
P4953
P7040
P1482
P8228
P7191
P5840
P6969
P6547
P7928
P7191
P8525
P6509
P7133
Atom OE2 of residue 34
P5458
P128
P4451
P2442
P3348
P3211
P1329
P1925
P10715
P3
P24
P8523
P5202
P6513
P7048
P2511
P7729
P3812
P2884
P7407
P8507
Atom O of residue 41
P9523
ILE
P4428
Atom H of residue 9
Atom HG2 of residue 11
Atom O of residue 35
P3137
P393
P2461
P7706
P5263
P12759
P2734
P6537
Atom HG21 of residue 12
P1483
P7605
P7041
P2504
P4043
P3891
P7255
P5043
P1333
P3296
P3045
P6309
P6118
P4
P4255
P6970
P6482
P2893
P7929
P4463
P2634
P8524
Atom HE2 of residue 29
P1995
P7730
P7192
ListSingletonContainer490
P2815
P153
P3883
Atom HG13 of residue 61
P6177
P4954
P8229
Atom HE2 of residue 11
P10716
Atom HZ2 of residue 33
P5841
P1800
P6510
P7134
Atom C of residue 13
P5459
P4452
Atom HD22 of residue 73
P2443
P3212
P8508
GLN
P7049
Atom HB2 of residue 6
P2633
P6548
P1537
P5203
P1926
P7192
P1321
P6514
Atom H of residue 34
Atom H of residue 29
P2885
P3349
P8526
P7707
P3093
P9524
ListSingletonContainer45
P5264
Atom H of residue 11
P2512
P12760
P3813
P2735
P7408
P127
P52
P4429
P3138
P394
P2057
P1470
P6119
P11853
P7606
P7042
P4044
Atom HA of residue 73
P3046
P6310
P4256
P6483
P1372
P2894
P4464
P6538
P1996
P7732
P2505
P3892
P3092
P3297
P7193
P7740
P2816
P3884
Atom H of residue 5
P6971
P4955
P7930
P8230
P6549
Atom HB of residue 22
P7193
P5842
Atom HD11 of residue 61
P5044
P11854
P5460
Atom H of residue 35
Atom HG1 of residue 14
P4453
P10717
Atom HD23 of residue 56
Atom HA of residue 29
P7260
P8527
P3213
P6507
P7135
P7050
P1471
P6178
P1538
P1638
P7741
P2886
P3350
P7708
P8525
P151
P6515
P7607
P5204
Atom HA of residue 58
P8509
P9525
P5265
Atom HB2 of residue 73
P12761
P1377
P6539
P2736
P1792
P2444
P4430
P3139
P2058
P4045
P3893
Atom C of residue 40
P7409
Atom CG2 of residue 12
P3298
P2513
P3047
P395
Atom HG1 of residue 22
P1927
P6311
P4257
P6484
P2895
P7043
P3817
P5045
P7742
P7733
P6120
P7194
P2817
P7256
P4956
P8526
P1997
P4465
P8231
P4454
Atom N of residue 57
P2506
P5843
P1639
P6972
P51
P7931
P3885
P6179
P11855
P5461
Atom C of residue 116
ASP
Atom N of residue 62
P6550
P7194
P3351
P3214
P6508
P7136
P7051
P7044
P3815
P2635
P10718
Atom HB2 of residue 58
P6516
P8510
P1469
P3
P2887
P3094
Atom H of residue 7
P1533
P5205
P8528
P5266
P2445
P12762
Atom CB of residue 118
P2737
P7410
P9526
Atom O of residue 43
P6121
P4431
P152
P7257
P7608
Atom CG1 of residue 13
P4046
Atom H of residue 12
P7746
P3048
P3140
P6540
P6312
P4258
P6485
P2896
P4466
P5046
P1
SER
P396
P3894
P1928
P1793
P28
P3299
P2514
Atom HE22 of residue 62
P1369
P2818
P3886
P6973
P11856
P4957
P7731
P7932
P7712
P3339
P4455
Atom O of residue 116
Atom NZ of residue 13
P5844
GeneralizedGuinierPorodFunction 34
Atom HG23 of residue 30
Atom H of residue 5
P1998
P2636
P1470
P6180
P7195
P5462
P2507
GLN
P10719
P7045
Atom C of residue 58
P6551
P7195
P7258
P8529
P6517
P7137
P1374
P7743
P2888
P3352
P3215
P3095
P3816
Atom HB3 of residue 58
P3340
P1634
Atom HG of residue 73
P7052
P5206
P5267
P8527
P2446
P12763
P2738
P3362
Atom HA of residue 7
Atom O of residue 63
P4432
P7709
P8511
P9527
P7609
P4047
P3300
P1860
Atom CA of residue 117
P89
P3049
P3141
P1534
P6313
P1471
P6122
P4259
P6486
P2897
Atom CD of residue 48
P7411
P4467
P6541
P3895
P1929
P1794
ListSingletonContainer47
P2819
P5047
P11857
P4958
P397
P7734
SER
P5845
Atom CA of residue 57
P8528
P2515
P3887
P2637
Atom CB of residue 12
P7196
P5463
P4456
P6974
P6552
Atom CB of residue 63
Atom HB2 of residue 2
Atom C of residue 14
P1999
P7933
P7196
P3353
P7138
P7744
P7046
P3341
Atom HD13 of residue 61
P6181
P1861
P255
P2508
P7262
P6518
P7710
Atom O of residue 7
P2889
Atom O of residue 58
P3216
P5048
P3096
P10720
Atom CA of residue 93
P8512
P1467
P7053
P7610
P5207
P7412
P3363
P5268
P12764
Atom N of residue 59
P2739
P8530
P4433
P4048
Restraint 142
P9528
Atom OG1 of residue 7
P3301
P3050
P1496
P6542
P1635
P6314
P4260
P6487
P2898
P3818
P4468
P7711
Atom CA of residue 60
P7735
P6123
Atom N of residue 38
P6975
LEU
P2820
P7934
Atom CE of residue 48
P2105
P4959
P2447
P7259
P4457
P1535
P5846
P3342
P7745
P398
P3888
P2638
P1468
P10721
P5464
P1930
P1795
ListSingletonContainer43
P3354
P3217
P7197
P11858
P2516
P7047
P6182
Atom N of residue 36
P2000
P3896
P3142
P2890
Atom CB of residue 58
P5049
P3097
P6553
Atom OD1 of residue 52
P7197
P8531
P7139
P1869
P256
P5208
P5269
Atom C of residue 57
P12765
P6519
P2740
Atom CD2 of residue 83
P7054
ListSingletonContainer509
P6
P8529
P4434
P7611
P2509
P4049
P7413
P1332
P3302
Restraint 175
Atom HE21 of residue 62
P3051
P1539
Atom HG1 of residue 12
P8513
P9529
P6315
P6124
P4261
P6488
P2899
P3819
P1368
P4469
Atom C of residue 93
P2821
P1497
P3324
P3889
P1640
P11859
P4960
P6543
P0
P4458
PRO
Atom O of residue 43
Atom NZ of residue 48
P5847
P6976
P7736
P7935
P2639
P7198
P6554
Atom C of residue 36
P3897
P1931
P7198
P1335
P16
P8530
P90
P399
P0
P3355
P3218
P3343
P1477
P2448
P1370
P1796
P10722
P6183
P2001
P2517
P7048
P7261
P2891
P5050
P3098
Atom OD2 of residue 52
Atom HG23 of residue 12
P7140
Atom HB3 of residue 1
P7055
P7612
Model 158
P5209
P4
P5270
P7
P12766
LYS
P6520
P2741
P7713
P8514
Atom CD1 of residue 8
P1641
P6544
P4050
von Mises sufficient 7
P1480
Atom CD2 of residue 17
P3303
P3052
P8532
P6316
P4262
P5465
P6489
P2900
P3143
P7737
P3820
P7414
P9530
P2124
P1540
Atom O of residue 36
P2510
Atom C of residue 52
P2822
P3898
P1371
PairScore 4
Atom CA of residue 62
P11860
P4961
P4470
P1862
P5848
Atom HD21 of residue 69
Atom O of residue 57
P4435
P3325
P2640
Atom CB of residue 43
P6977
P7936
P3356
P3219
P3344
Atom N of residue 50
Atom CA of residue 38
P0
P7747
P7049
Atom HG12 of residue 13
P1797
P6184
P6555
Atom CB of residue 15
P400
P2002
P1932
P7199
P1481
P6125
P7199
P2449
P1493
P2892
P5051
P3099
P10723
Atom HG22 of residue 61
ListSingletonContainer508
P7613
P5210
P5271
Atom CB of residue 53
P2518
P12767
P8533
P2742
P3890
P7141
P15
P5466
Atom OE2 of residue 18
P4459
Atom CB of residue 57
P4051
P3899
P6521
P7415
P3304
P7056
P7748
P3053
P7714
P6317
P4263
P6490
P8531
P2901
P3821
P4471
P6126
P6545
P9531
P4436
P2824
P3144
P1364
P11861
P4962
P7738
Atom H of residue 32
P1863
Atom CG of residue 15
P2511
P7263
P5849
P6978
P88
P1541
P7937
P2641
SER
P8515
Atom HG21 of residue 61
Atom O of residue 29
P1717
P3357
P3220
P3326
P3345
Atom OG of residue 57
P2450
P7050
P1637
P10724
P6185
P5467
P8532
P1475
Atom OE2 of residue 24
P2823
P4
P2893
P3100
P1338
ListSingletonContainer49
P7200
P6556
P1498
P401
P7200
P1805
P7142
P4460
Covariance1DFunction 86
P7616
P5211
Atom CD1 of residue 8
P1933
P5052
P5272
P12768
P1365
P6522
P2743
P6318
P4437
P2003
P3305
P2519
P7749
P3054
P7715
P3891
Atom CG2 of residue 51
P4264
P7057
P6491
P2902
P3822
Atom HB2 of residue 42
P6128
P4052
P8534
Atom CB of residue 29
P7416
P9532
P11862
P4963
P1718
P7614
P6546
P4472
P8516
P1476
P1864
P1
P3145
P2115
P3900
P7264
P5850
P3346
P1164
ListSingletonContainer40
Atom O of residue 61
P7739
P2642
Atom O of residue 42
Atom H of residue 18
P1520
P5468
Atom OG1 of residue 9
Atom HZ of residue 4
P2512
P3358
P3221
P7051
P6186
P6979
P6557
P7938
P7201
P2894
P5053
P3327
P4461
P7201
P4438
P5218
P5273
P10725
P12769
Atom O of residue 18
P1500
P402
P2744
P7716
P3101
P3892
P6319
Atom H of residue 24
P2004
P7417
Atom HA of residue 32
P2451
P1934
P8535
P7143
Atom H of residue 57
P3306
P2520
P7750
P3055
P1823
ARG
P4265
P6492
P2903
P3823
P6523
P4473
P6129
P100
P7058
P6547
P0
P4053
P1165
Atom CG of residue 29
P8533
P2825
P4964
P7615
P3347
P9533
P6980
P1865
P87
P1713
Atom CE of residue 6
P7939
P7265
P1521
P5851
Atom HD23 of residue 69
P11863
P2643
P3146
P5212
P3901
P8517
P3222
Atom HG23 of residue 61
P10726
P4462
P6187
P2
P3
Atom HE22 of residue 41
P1166
P2513
P2895
P3359
P5054
P3102
P8534
P1801
P3893
P7052
P6524
P3328
P5274
P7202
P6558
P12770
Atom N of residue 19
P7202
P2745
P6493
P2452
Atom O of residue 65
P3
P7717
P5469
P403
P4054
P7144
P1629
P3307
P7751
P3056
P1309
P6320
P2904
Atom HB3 of residue 1
P2005
P7418
Atom HA of residue 57
Atom O of residue 31
P7059
Atom CB of residue 23
P2521
Model 343
GaussianProcessInterpolation57
P6127
P4266
P11864
P4965
P1714
P4439
P5213
P3824
P3902
P8536
P4475
P8518
P3348
P4463
P1935
P5852
P9534
Atom CE of residue 48
P2826
Model 1
P6548
Atom CB of residue 33
P2644
P1866
Atom C of residue 3
Atom N of residue 70
P6981
P7740
P7940
P1
P3360
P3223
P6559
P3147
P7203
P6188
P98
Atom CB of residue 31
P2896
P5055
P3103
P10727
P4474
P3894
P2143
P5470
P7617
Atom C of residue 61
P7053
P415
Atom CB of residue 65
P5275
P1631
P12771
P2514
P7266
P2746
ListSingletonContainer55
P7203
P6494
P7718
PRO
P7741
P6525
P3308
P2453
P3057
P1575
P1802
P6321
P4267
P4440
P2905
P6549
P1773
P3825
P1518
P8537
P3329
P3349
P7145
Atom CG of residue 31
P7752
P4055
P3903
P7419
P6130
P7060
P11865
P4966
P5214
P4464
P1867
Atom CG1 of residue 23
P8535
P5853
P2522
GeneralizedGuinierPorodFunction 51
P2006
P2645
P7742
P7267
P1170
P5471
P1715
Atom NZ of residue 48
P2827
P1936
Atom CG of residue 33
P3224
P3895
P3148
Atom C of residue 51
P8519
VAL
P6189
P6982
P0
P7941
P47
P2897
P3361
P3104
P6560
P7204
P9535
P7618
P1576
P5276
P10728
P8536
P12772
ListSingletonContainer502
Atom H of residue 65
P2747
P6495
P7054
P0
P5056
P7719
P7204
P4441
Atom O of residue 61
P417
P3904
P7146
P3309
P7753
P3058
P2515
P6322
P2454
P2906
P1774
P3826
P1522
P6526
P7420
P4476
P6131
P45
P4056
Atom CD1 of residue 69
P4268
P11866
Atom HB3 of residue 16
P4967
P6550
P5219
P3350
P7061
P1911
P7746
P5858
P3330
P1624
P2011
P8538
P8520
P2646
Atom HB2 of residue 57
P1716
P7268
P9536
P4465
P6983
P5472
P2828
P7942
P3225
P3896
P2523
Atom CD of residue 31
P1167
P6190
Atom HE2 of residue 48
P2233
ILE
Atom N of residue 47
P1648
P76
P3149
Atom N of residue 28
Atom HA of residue 65
P1937
P2898
P10729
P4442
P7619
P7055
P5277
Atom CA of residue 70
P6561
P12773
P7205
P2748
P3105
P0
P1331
P6496
Atom O of residue 51
P5057
P7720
P7743
P3905
P1523
P6527
Atom CD2 of residue 69
P3310
P7205
P7754
P3571
P6323
P2455
P2907
P406
P3827
P3351
P1349
Atom H of residue 48
P2049
P3362
P5859
P2516
P4057
P8539
P7147
P1168
P4968
P1649
P55
Atom C of residue 28
P5316
P4466
P1868
P7421
P3331
P3897
P6132
THR
P7062
Atom HG2 of residue 16
P6551
P1775
Atom HG12 of residue 3
P1574
P2647
Atom HB3 of residue 57
P8537
P1721
P7269
P1
P4477
P9537
P11867
P5473
P2829
P3226
Atom C of residue 70
P1625
P6191
P2234
Atom N of residue 51
P1938
P1524
P2899
P3106
P8521
Atom OE1 of residue 31
P4269
P6984
P6562
P2524
P56
P7943
P7206
ListSingletonContainer61
P4443
P7620
P3150
P5278
P12774
P7744
P2749
P6497
Restraint 161
P10730
P8538
P3906
P3363
P1577
P3311
P7755
P7056
P7422
P5058
Linear1DFunction 18
P7721
P6324
P6133
P7206
P2908
P3828
Atom H of residue 69
P3352
Atom HG of residue 57
P2
P2
Atom OH of residue 53
P3595
P6528
P7148
Atom O of residue 70
P4969
P1650
P2456
P6552
P4467
P5679
P2517
P3898
Atom NZ of residue 33
P5317
P1776
Atom CG of residue 74
P4058
P2648
P6985
P7063
P7944
P7270
P5856
P3332
P11868
P5474
P2830
P2008
P8540
P3227
P8522
P1872
Atom CD1 of residue 56
Atom HG21 of residue 14
P4478
P9538
P6192
Atom HB2 of residue 28
P1
P10731
P1626
ListSingletonContainer493
P7745
P2900
P1578
P1939
P4444
P7621
P2230
P1525
P5279
ListSingletonContainer76
P12775
P2750
P3107
GLY
P4270
P1664
P6498
P2525
P3151
P6529
P5059
P7722
Atom N of residue 58
P6563
P3907
P7207
P3364
P3312
P5680
P3596
P9539
P6325
P2909
P7057
P3829
P3353
P7207
P4059
P7423
Atom HD22 of residue 69
P6134
P4970
P1652
P7756
Atom N of residue 15
P5328
P4468
ILE
P8541
P3899
P7149
P1877
Atom CD of residue 74
P4479
P5337
P2649
Atom CA of residue 29
P7064
P5475
P58
P2831
Atom HE2 of residue 33
P6553
P2518
P3228
P8539
P7271
P3333
P92
P6193
P6986
P11869
P7945
P6564
P2457
P1719
Atom CD2 of residue 56
P1777
P7208
P1529
P2901
P3108
TYR
P4271
Atom HA of residue 69
Atom CA of residue 58
P4445
P7622
P3365
P8523
P5280
P10732
P12776
P2231
P2751
P6499
P7723
P1627
P3908
Atom NE2 of residue 31
P3313
P3152
Atom H of residue 33
P9540
P6326
Atom CB of residue 70
P8540
P2526
P2910
P3830
P1579
P6530
P4480
P3572
P7058
P4060
P1940
P5329
P5681
P7208
P3
P6554
P7150
P4971
P7757
P3354
P4469
P1662
P7424
P3900
P6135
Atom NE of residue 74
P5340
P2650
ASP
P7272
Atom N of residue 32
P11870
P5476
P2832
Atom CG1 of residue 70
P5220
P3366
P3229
P7065
P2458
P4272
P6194
P8542
P8524
P1632
Atom NH1 of residue 74
P1870
P1778
P2519
P2902
P3334
P3109
Atom HA3 of residue 10
P6987
P2285
P7946
P1538
P4446
Atom H of residue 56
P7623
P5281
P6565
P12777
Atom HA of residue 33
P7747
P7209
P2752
P6500
P7724
P10733
P57
P4061
P3909
Atom H of residue 31
P3314
P3153
P9541
P6327
Atom CG1 of residue 70
P3831
P1581
P4481
THR
P3355
P3573
P3
P5330
P7059
P6531
P7425
P6136
Atom CB of residue 51
P7209
P1665
P4972
P2527
P2911
P1941
P4470
ListSingletonContainer78
P5682
P7748
P3901
P7758
P6555
P1651
P7273
P8543
P7151
P2675
Atom NH2 of residue 74
P5477
P2833
Atom CG2 of residue 70
P5221
Atom CZ of residue 74
P3367
P3230
P5339
P4273
P6195
P6988
P7066
P7947
P1637
P1871
P8541
P2520
P2903
P3335
P3110
P11871
P2459
P2051
Atom CB of residue 15
P4447
P7624
P5282
P10734
P12778
P2753
Atom CG2 of residue 70
P6501
P2286
Atom C of residue 70
Atom CA of residue 9
P8525
P87
P6566
P1779
P4062
P3910
P7210
P3315
P1654
P3154
P9542
P6328
P1666
P3832
P6532
P4482
P3356
Atom HA of residue 31
P5333
P7725
Atom H of residue 74
P5683
P8542
P4973
P1540
P7759
P2912
P7060
P1942
P5318
P2676
P4471
P7210
P3574
P7749
P3902
P4274
P11872
P2528
P7274
P7426
P7152
P6137
P5478
P2834
P6556
P5222
P3368
P3231
P1354
P6196
Atom H of residue 70
P7067
P1878
ListSingletonContainer494
P2904
P3336
P3111
Atom HA3 of residue 10
P8544
P8526
P4448
P7625
P2235
P5283
P6989
P6567
P12779
P2521
P7211
P2754
P6502
P2056
Atom O of residue 70
P3911
P5334
P1355
P1630
P3316
P1655
P6329
P10735
P2913
P1780
P3833
Atom CG1 of residue 5
P4483
P3357
P2460
P3575
Atom HD12 of residue 3
P7427
P7726
P9543
P6138
Atom C of residue 58
Atom HA of residue 74
P7948
Atom HB2 of residue 31
Atom CD2 of residue 63
P4974
P5319
P4472
P1541
P3155
P7061
P7750
P6533
P3903
P2655
P4275
P7211
P60
P6557
P5684
P7760
P2835
P5223
P3369
P3232
P6990
P1943
P8545
P7153
P6197
P11873
P2529
P4063
Atom H of residue 70
Atom O of residue 58
P5479
P1879
P1667
P7949
P7275
P2905
Atom CD1 of residue 3
P3112
Atom C of residue 29
P7068
Atom HA of residue 70
P10736
P8543
P4449
P7626
Atom CA of residue 17
P5284
P12780
P2755
P2236
Atom CD1 of residue 73
P2
P3912
P5335
P3337
P3317
Atom HB2 of residue 32
P2522
P6534
P8527
P9544
P6330
Atom HG3 of residue 1
P6503
P6568
P2461
P2914
P1781
P3834
P7212
P4484
P3358
P5685
P1653
P4276
P7761
P4975
P5320
P7727
P4473
P77
Atom HB2 of residue 74
P8544
P3576
P3156
P7751
P7428
P3904
P2656
P6139
Atom CB of residue 58
P7062
P7212
P4064
P7154
Atom HA of residue 70
P1668
P1542
P2836
P5224
Atom N of residue 70
P3370
P3233
P1
P1944
P1342
P6198
P6558
P5480
Atom C of residue 69
P7951
P7276
P2906
Atom ND2 of residue 44
P3113
Atom O of residue 29
Atom HB3 of residue 31
P6991
P11874
P2530
VAL
P7069
P1881
P6569
P4450
P7627
P7213
P5285
P12781
P59
P8546
P2756
P8528
Atom NE of residue 74
P2237
P10737
P3913
P5341
P3338
P3318
Atom CD2 of residue 73
P9545
P6331
ASN
P6504
P2462
P2915
P3835
P4485
P3359
Atom N of residue 37
P2154
P3577
Atom HB3 of residue 32
P7728
Atom CG of residue 58
P4277
P2523
P6535
P4976
P4869
P5321
P4474
P5686
P1873
P6559
P3905
P1544
P7762
Atom NZ of residue 63
Atom HG2 of residue 31
P7063
P7752
P7429
P6140
P7213
P5481
P1672
P2837
P5225
P1782
Model 199
P3371
P3234
ASN
ILE
P4065
P6199
P11875
Atom CB of residue 61
P1306
P7952
P2907
P8547
P3114
P7155
P1945
P4451
P7628
P7277
P5342
Atom OD1 of residue 25
Atom CA of residue 37
P5286
P6992
P7070
P12782
P3195
Atom HD13 of residue 69
P2757
P86
P8545
P2531
P2238
P1319
P6570
P4870
P3914
P7214
P3319
SingletonConstraint 4
P9546
P6332
P10738
P6509
P2916
P3836
P4486
P3360
P1295
P3578
P8529
P4278
Atom HE2 of residue 63
Atom HG3 of residue 31
Atom C of residue 60
P4977
Atom H of residue 69
P5322
P3339
P4475
P1874
P1545
P7753
ARG
P6536
P7430
Atom CA of residue 25
P3906
P6141
Atom CA of residue 13
Atom C of residue 42
P2524
P5687
P8546
Atom CB of residue 27
Atom HB of residue 70
P5482
P2463
P7763
P2838
P6560
P7064
P5226
Atom HD11 of residue 73
P3372
P3235
Atom ND2 of residue 25
Atom OD1 of residue 58
P7214
ListSingletonContainer495
P6200
P1297
P4066
P7278
P2908
P3115
P7156
P6993
Atom H of residue 63
P1783
P7729
P7629
P7950
P5287
P11876
P12783
Atom CA of residue 42
P2758
P7071
P1946
P10739
Atom O of residue 60
P4452
P3915
Atom CG of residue 3
P8548
P8530
GaussianProcessInterpolation70
P3320
P2532
Atom HB2 of residue 54
Atom O of residue 30
P6333
Atom HD23 of residue 8
P6510
P6571
P2917
P3837
P7215
P4487
P5323
P5338
P3579
P4279
Atom CA of residue 69
Restraint 16
P2239
P6537
P7730
P85
P2131
P4978
P4067
P9547
P4476
Atom HG11 of residue 70
P5688
P1875
P7754
P3907
P62
P4854
P7764
P1677
P2464
SingletonModifier 4
P2839
P5227
Atom HD12 of residue 73
P3373
P3236
P3340
P11877
P7065
P2525
P7431
P6142
P6201
P7215
P3158
P6561
P5483
P3116
P1784
Atom CG of residue 16
P3361
P4453
P7630
Atom CE of residue 63
P7953
P8549
P7157
P5288
P12784
P2909
P2759
Atom O of residue 69
P2
P7279
P6994
P7072
P1301
P6572
P3916
P7216
P1680
Atom HE21 of residue 31
Atom OD2 of residue 58
P3321
P6507
P8547
P1543
Atom CG2 of residue 22
Atom C of residue 59
P6334
P2918
P3838
P1947
P4488
P5324
P5373
P3580
Atom HB3 of residue 54
P4068
LEU
P10740
P4280
P2533
P2240
P7732
P4979
P7432
P8531
P9548
P4477
P6143
P1876
P4101
P7755
P3908
Atom NH2 of residue 54
P4855
Atom CB of residue 30
Atom HG12 of residue 70
P1302
P2465
P6538
P2840
P2617
P6562
P5228
P3237
P5689
P8548
Atom OE1 of residue 16
P3362
P20
P6202
Atom CG of residue 6
P7765
Atom HB2 of residue 63
P7066
P7216
P7954
P3374
P3117
P7158
P11878
P5484
P2526
P3341
Atom HH22 of residue 54
P7631
Atom CD of residue 41
Atom HD11 of residue 71
Atom HE22 of residue 31
P5289
P12785
P61
P1671
P2910
P2760
P10741
P5374
P4454
P1785
P4069
P7280
P3322
P6995
P7073
P6508
P6335
P2919
P3839
Atom HH11 of residue 54
P8550
P4489
P8532
P4102
P3581
P3917
P6539
P5
P4281
P6573
P5679
P7217
P7733
Atom HG13 of residue 70
P5690
P4980
Atom HG3 of residue 54
P1948
P5325
P3363
P4478
P37
P2534
Atom HE1 of residue 4
P7766
Atom OG1 of residue 12
P3909
Atom H of residue 54
P1296
P1364
P4856
P9549
Atom N of residue 23
P7433
P6144
P2841
P5229
P3375
P3238
Atom O of residue 5
P7756
Atom N of residue 1
Atom N of residue 55
P6203
P2241
P3340
P2626
P7067
P2911
Atom HE22 of residue 49
P3118
Atom CA of residue 60
P7217
P2144
P6563
P3342
P7632
P5290
P11879
P1308
P2466
P12786
P1672
P2761
P5485
P6574
P5680
P2527
P7955
P7218
P8551
P7159
Atom NE of residue 42
ListSingletonContainer42
Atom CG of residue 68
P4455
P1327
P3918
P3323
P6996
P4099
P1365
P7281
P6336
P10742
P7074
P4985
P2920
P1786
P1347
P4490
P8549
Atom HB2 of residue 25
P3582
P4070
Atom CA of residue 74
P3364
P4282
P2537
Atom HH12 of residue 54
P5343
P4
Model 140
P5326
P9550
P1884
P2615
P6540
P7731
P3910
Atom H of residue 58
Atom HE2 of residue 59
P1305
P4857
P8533
P5691
P1328
P6564
P1949
Atom HA of residue 54
P4479
P1366
P7767
P2842
P5230
Atom CB of residue 24
P3239
ListSingletonContainer496
P7757
P3840
P7434
Atom HE of residue 54
P6145
P6204
P7956
P3341
P8550
P2535
P2912
P3376
P3119
Atom HG21 of residue 70
P11880
P5486
P7068
P7218
P4986
P4456
Atom HB3 of residue 1
P7633
P5291
P1312
P12787
P2242
P1673
P2762
P3343
Model 408
GeneralizedGuinierPorodFunction 3
Atom HD3 of residue 54
P7160
Atom ND1 of residue 68
P6997
P4071
P3919
P3324
P1787
Atom C of residue 74
P6337
P6575
P5681
P2921
Atom OE1 of residue 49
P2528
P7219
P7282
P4491
P1323
P7075
P2467
Atom HB3 of residue 25
P3365
P4283
P4100
P2616
P8552
P5344
P8534
P64
Atom CB of residue 4
P5327
P4480
P7734
P3911
Atom HA of residue 58
Atom HH of residue 59
P4858
Atom CA of residue 50
P3841
ASP
P1880
Atom HB2 of residue 2
P3583
Atom N of residue 34
P6541
P7435
P6146
P2843
P5231
P3240
P9551
GeneralizedGuinierPorodFunction 22
Atom CA of residue 71
P10743
P5692
Atom N of residue 7
P6205
P3342
P7768
P6565
P1950
P5487
P7758
P2913
P3377
P3120
Atom C of residue 34
P69
P4457
P7069
P7957
P5292
P7219
P2536
P12788
P2763
Atom HE of residue 54
Atom CD2 of residue 68
P6998
P11881
P1361
P2243
P4072
P3924
P3344
P3325
P1674
P8553
P7161
P6338
Atom HA of residue 3
P2922
P3842
P4492
P5332
LEU
P1788
P7283
Atom HB2 of residue 58
P4284
Atom N of residue 60
P7076
P4983
P5682
Atom C of residue 50
Atom HE3 of residue 29
P7220
Atom CD1 of residue 3
P5345
P7735
Atom CG of residue 25
P10744
P0
P8551
P2468
P2529
Atom N of residue 74
P4483
P1883
P6542
P3912
Atom O of residue 71
P4859
Atom O of residue 34
P5693
P3343
P3584
P5488
P7769
P2844
P5232
P3241
P8535
Atom HG1 of residue 9
P6576
GLU
Atom CG of residue 49
P7759
P9552
P6206
P3920
P3366
Atom CA of residue 32
P11882
Atom N of residue 23
P2914
P3378
P7436
P3121
P6147
P63
Atom C of residue 9
Atom CG of residue 73
Atom HE21 of residue 49
P6566
Atom H of residue 29
P1951
P8552
P4458
P6
P5293
P12789
P7070
Atom C of residue 34
Model 378
P2764
P7220
P7958
P1678
P5336
P1
P7162
P4481
P2244
Atom HB3 of residue 58
P3326
P4984
P6339
P6999
P5683
P2923
P7221
P3345
Atom HD2 of residue 59
P4073
P4285
Atom O of residue 9
P7284
P5346
Atom CB of residue 71
P66
P7077
P6577
P1789
P3843
P4493
P10745
P8554
P8536
P3913
P3344
P2469
P4860
P2530
P7437
P6148
P3585
P7736
P3367
P5489
P2845
P5233
P3242
Atom HA of residue 29
P6543
P7
P6207
P6567
P3
P9553
Atom CE2 of residue 59
P5694
Atom CD of residue 49
P2915
P3379
P3122
P7770
Atom CB of residue 34
P7000
P4459
ILE
P7760
P3921
P7959
P5294
P1590
P11883
P12790
P2765
Atom C of residue 32
P2538
P7071
P1679
P7221
P2355
P4074
ScoreState 38
P3327
P6340
P2924
P3844
P1952
P3346
P4482
P1362
Restraint 594
P8555
Atom N of residue 11
P7737
P7163
P4286
P1554
P2245
VAL
Atom CD2 of residue 73
P7
P4
P5331
P5347
Atom HG11 of residue 26
ListSingletonContainer529
P1790
Atom HD23 of residue 71
P7285
P6544
P4494
P10746
P7078
P6578
P5684
P7222
P3368
Atom C of residue 48
P3914
Atom CZ of residue 59
LEU
P5695
P3345
P8553
P4861
Atom HD21 of residue 73
P3586
P6505
P2470
P2846
P5234
P7761
P2531
P7438
P6208
P3922
P8537
P5491
P2356
Atom HB3 of residue 45
P2916
P3380
P3123
P9554
Atom O of residue 32
P3333
Atom N of residue 59
P1363
P4460
P7771
P5295
P1591
Atom CB of residue 49
P12791
P6568
P8554
P7001
P11884
P7072
P4075
Atom CD1 of residue 4
P3328
P7222
P5685
P7960
P7223
P2766
P6341
P2539
P2925
P3347
Atom HG13 of residue 26
P5490
Atom CG of residue 2
P3369
P7164
P4287
P3346
P1555
Atom H of residue 73
Covariance1DFunction 31
Atom N of residue 5
P5348
P1791
P3845
P1953
P4495
P6579
P2246
P7286
P1676
P7738
P3915
P4484
Atom HG12 of residue 26
P7079
P4862
Atom CB of residue 32
P10747
Atom HB3 of residue 16
P3587
P8556
P6545
P8538
Atom OH of residue 59
P5235
Atom CA of residue 72
P3923
P5696
P6569
Atom O of residue 48
P6209
Atom CG of residue 49
P2471
Model 159
Atom HD3 of residue 42
P2847
P7762
P2532
P2917
P3381
P7439
P7961
P3335
P9555
Atom HG22 of residue 70
P7772
Atom HD3 of residue 19
Atom HD1 of residue 45
P5296
P11885
P12792
P2767
P5068
P3124
TYR
P2332
P4462
P4076
P7073
P6342
P32
P1589
P7223
P7002
ListSingletonContainer530
P2926
P4496
P10748
Atom HD21 of residue 50
Atom HA of residue 46
P3370
P4288
P3329
P3347
P5686
P7224
P5349
P3
P2540
P3846
P8557
P7165
P1552
P3916
P4863
P3348
P7080
P6580
P4461
P3588
P2247
P1792
P1954
P7739
P5492
P8555
P2472
P5236
P1653
P6546
P7440
P3246
Atom CB of residue 48
Atom H of residue 59
P6210
Atom N of residue 20
P1
P5697
P2848
P2918
P3382
Model 61
P3125
P7773
P6570
P7287
P8539
P7763
P9556
P5297
P4485
ListSingletonContainer59
Atom HA2 of residue 35
P12793
Atom C of residue 72
P2533
P2768
Atom HD2 of residue 45
P7962
P5069
P1592
P7003
Atom O of residue 49
P4077
P3330
P8556
Atom HH12 of residue 72
P6343
P11886
P2927
P7074
P4497
P7224
P6581
P1557
Atom HH11 of residue 42
Atom HB1 of residue 46
P3371
P7166
Atom CG of residue 32
P4289
P3925
Atom C of residue 19
P5350
Atom HG23 of residue 70
P3847
Atom N of residue 51
P3247
P10749
P5687
P7225
P2333
P3348
P4864
P3349
P2541
P3589
P2248
P1955
P7288
P6547
P7081
P1654
P2849
P5237
P5698
P8558
P8540
P6211
Atom CA of residue 59
P7764
P2919
P3383
P3126
P7774
P1793
P1838
P11887
P7441
P5298
P5493
P12794
P6571
P2769
P9557
P2473
ARG
P2534
Restraint 143
P5070
P3917
P4486
P3331
Atom HG21 of residue 13
P7963
P6344
Atom N of residue 71
P2928
P3848
Atom CD of residue 14
P4498
P59
Atom C of residue 59
P1559
P4463
P7075
P0
P4078
P3372
P7225
P7004
P3349
P5688
P3926
P7226
P5351
Atom HG2 of residue 11
Atom HB2 of residue 46
Atom HA3 of residue 35
P6582
P2544
P129
Atom HB2 of residue 16
Atom C of residue 32
P4290
P1555
P4865
P8559
GLU
P7167
P10750
P3590
P2249
P7289
Atom HG23 of residue 7
P2850
P5238
Atom HD11 of residue 71
P1956
P3384
P7442
P7082
P7740
Atom HH11 of residue 72
P6212
P2334
P8557
Atom OD1 of residue 32
P2920
P6548
P3350
P3127
P6572
P1794
P5699
P2542
P3918
P5299
P4487
P3337
P2474
P12795
P7775
P2537
P2770
P1839
P8541
P7005
P7765
P7964
P9558
Atom O of residue 59
P5494
P2302
P1651
P3927
P5071
P7741
P6345
P1594
P2929
P3849
P1326
P4499
Atom CA of residue 47
Atom NE of residue 42
P8558
Atom HB3 of residue 16
P4079
P3373
P4291
P7076
P5352
P7168
P7226
P1556
P4464
Atom HB of residue 5
Atom SG of residue 30
P10751
P11888
P2535
P3350
P131
P4866
P6549
P4488
P6583
P5689
P3591
Atom O of residue 32
Atom CB of residue 44
P7227
P0
Atom HG22 of residue 30
P5700
P2851
P5239
P7742
Atom CB of residue 59
P7776
P2250
P7290
P3919
Atom CE of residue 63
P6213
P7083
Atom H of residue 66
P1656
P7766
P1596
P2921
P3385
P8560
P7443
P3128
P8542
P2353
P5495
P5300
P3338
P2303
P12796
P1957
P3351
P2475
P2543
P6573
P9559
ListSingletonContainer53
P1795
P3928
P7291
P2771
P6346
P7006
P11889
P1554
P4465
P2930
P3850
P4500
P5072
Atom HE3 of residue 27
P5690
Atom CA of residue 32
P7965
P7228
P3374
P4292
Atom HB3 of residue 48
P4080
P0
Atom N of residue 4
P5353
P1343
P2335
P7077
GaussianProcessInterpolation6
P1841
Atom OD2 of residue 32
P7227
P6584
Atom CG1 of residue 44
P3351
P4867
P7746
P4489
P132
P3592
P5496
P2852
P5240
P2536
P8561
P7169
P10752
P2334
UnaryFunction29
P6550
P6214
P1658
Atom HB3 of residue 62
P5701
P7084
P1557
P2251
Atom HB2 of residue 32
P6574
P2922
P3129
P1345
P3920
Atom NZ of residue 63
P1315
P8559
P7777
Atom H of residue 32
P4466
P7767
P7444
P5301
P12797
P7966
P2772
P1358
Atom HZ1 of residue 27
P3334
P8543
P2476
P3929
P1958
P7292
P3352
P7743
P9560
P6347
P11890
P2931
P1784
P4501
P1796
P3386
P5073
P3375
P7007
P3352
Atom HG2 of residue 48
P5354
P10753
P2336
Atom HB of residue 66
P8560
P1559
P3851
Atom CG of residue 59
Atom C of residue 60
P5691
Atom HG2 of residue 62
P7078
P7229
P7228
P4933
Atom HB3 of residue 59
P4081
P7170
P4490
P3593
ListSingletonContainer46
P1593
P5497
P2853
P5241
Atom HD3 of residue 72
P4293
P6585
P0
P1359
P6215
P3335
P2923
P6551
P7445
P3130
P7085
P2357
P5702
P4467
P2252
Atom O of residue 44
P8562
P8544
P3921
P5302
Atom HE2 of residue 63
P12798
P7778
P6575
P2773
Atom HA of residue 32
P7768
P7744
P3387
P1840
P2477
P2545
P3596
Atom HG3 of residue 48
P7967
P1959
P7293
P6348
Atom HZ2 of residue 27
P7008
P1
Atom HG1 of residue 66
P1655
P2932
P3852
P4502
P9561
Atom HA of residue 32
P1797
P3353
P3376
P11891
P4934
Atom HD1 of residue 59
P4082
P3930
P5074
P5355
P1835
P6586
ListSingletonContainer584
P23
Atom O of residue 60
P130
Atom H of residue 63
P4294
Atom C of residue 6
P3353
P7079
P4491
P10754
P7229
Atom CE3 of residue 28
P5692
P3594
P7230
P5498
P2854
P5242
P311
P2538
P6552
P6216
Atom CD1 of residue 8
P3922
P7171
P5703
P2337
P2924
P3388
P3131
P7779
Atom OE1 of residue 62
P7745
Atom CD1 of residue 59
P7086
P11892
P4468
P7769
P5303
P8561
P12799
GridCPF
P2774
P1843
P1356
P2304
P1556
P2253
P7446
P1836
Atom HD2 of residue 48
P3931
P7294
P6349
P1659
P2933
Atom HG21 of residue 22
P8545
P1496
P4083
P7968
P1786
P3377
P9562
Atom HZ3 of residue 27
P3354
P2478
P3597
P5356
P3853
P4503
P5075
P3354
P7009
P5693
P6576
P1328
P1960
P7231
P3923
P8562
Atom CB of residue 5
P3
P4492
P46
P6587
P3598
P7080
P1798
P1845
P7230
P5499
P4937
P2855
P1357
P10755
P4295
Atom CG of residue 121
P2
P312
Atom NE2 of residue 62
Atom HB2 of residue 32
P6217
Model 344
P7447
P7172
Atom CB of residue 60
Restraint 17
P2925
P3132
P2539
P1787
Atom CD2 of residue 59
P11893
P2338
P4469
P1330
P1497
P6553
P5304
P7087
P12800
P5243
P2775
P3333
P5704
P2305
P3597
P2254
P8546
P3552
P133
P7780
Atom CB of residue 22
Atom N of residue 28
Atom CZ of residue 42
P7010
P6577
P7770
P3932
P7969
P3389
P6350
P1560
P1663
P2934
P3854
P4504
Atom HA of residue 60
P4084
P7295
P1837
P3355
P5357
P9563
UnaryFunction22
P5095
P1961
P5076
P3378
P3924
P4296
Model 36
P3355
P4493
P10756
Atom CE1 of residue 59
P5500
P2856
P7081
Atom H of residue 16
P6554
P7231
P6588
P5694
P313
Atom O of residue 63
P1799
P7232
P1790
Atom N of residue 14
P6218
P5705
P2479
ClosePairContainer
Atom CD of residue 121
P4984
P7781
P5244
Atom HE1 of residue 59
P2926
P3133
Atom HB3 of residue 32
P3334
P7173
ListSingletonContainer54
P11894
P4470
P1489
P7448
P5305
P12801
P3390
P2776
Atom CZ of residue 4
P1838
P7088
P2339
P2306
P1657
P3599
P2255
P2540
P7747
Atom HE3 of residue 27
PairPredicate 7
P4085
Atom HG13 of residue 30
P3933
P7296
P0
P6351
P1561
P2935
P6578
P7771
P3855
P1842
P134
Atom CG of residue 8
Atom ND2 of residue 46
P7011
P3356
P5358
P8547
P5695
Atom HB3 of residue 60
P7970
P7233
P4505
P9564
P5120
P3379
P3925
Atom CA of residue 122
P5077
P3356
P7748
P4494
P4298
P6589
ALA
P5501
P2480
P3553
P2857
P1962
Atom N of residue 22
P314
P7082
P1800
P3391
ListSingletonContainer56
P6219
P7232
P4935
P1492
P1785
P7174
P10757
Atom HD2 of residue 38
Atom CB of residue 63
P5245
P2927
P6555
THR
P3134
P5706
P11895
P4471
P3600
Atom N of residue 33
P5306
P12802
P7782
P2777
P4297
P2340
P1558
GeneralizedGuinierPorodFunction 52
P7449
P7089
Atom HB of residue 3
P7971
P1846
P3157
Atom CA of residue 47
P1839
P7297
P8548
P6352
P2936
P6579
P7772
P2541
P4506
Atom CG1 of residue 61
Atom CB of residue 6
P5124
Atom OG1 of residue 12
P3357
P2307
P2256
P1788
P5359
Atom HD2 of residue 59
Atom CE of residue 63
P1491
P7012
P3380
P3926
P9565
P10758
Atom HD3 of residue 38
P3934
P3357
P7749
P5696
P7234
P5078
P5502
P2858
ListSingletonContainer531
P3392
P4495
P44
P6220
Atom HG3 of residue 16
P4936
P7083
P4086
P2
LYS
P7233
P6590
P3554
Atom HD22 of residue 60
P1963
P2928
P3135
Atom CA of residue 28
Atom O of residue 49
P3856
Atom HH22 of residue 42
Atom CE2 of residue 59
P4472
P8233
P6556
P7450
P5307
P12803
P5246
P2778
P7175
P11896
P2481
Atom HG21 of residue 70
Atom O of residue 13
P1789
Atom O of residue 6
P7783
Atom HE2 of residue 63
P1801
P3158
P7090
P7773
P7298
P6353
P2937
P7972
P7013
P3358
P2308
P3152
P2257
P6580
P1847
P5360
P2341
P2542
P4507
P4872
P8234
P1633
P8549
P3381
P3927
P6591
P3935
P7750
P9566
P1841
P5096
Atom CB of residue 28
P5503
P2859
Atom HB2 of residue 60
Atom H of residue 63
Atom CG of residue 31
P5079
P10759
Atom OE1 of residue 34
P5697
P3857
P7235
P4496
Atom CZ of residue 59
P4299
P6221
P1493
P317
P7084
P2929
P6557
P3358
P3136
P7234
P3393
P11897
P2482
P4473
P5308
P12804
Atom HB3 of residue 16
P8236
P7784
P5247
P1964
Atom N of residue 43
P2779
P7176
Atom CA of residue 33
P5707
P6581
P4087
ListSingletonContainer70
P3555
P7774
P7451
P6354
P7091
P3153
P2938
P1500
P2342
P3159
P8550
P3359
P1802
P3936
P1844
P5361
Atom C of residue 73
Atom OG1 of residue 51
P1598
P7973
P7299
P4508
P4873
Atom HA of residue 63
P1634
P3382
Atom C of residue 33
P8237
P7751
P7014
P5698
P5097
P2543
P7236
P9567
P5504
P2309
P2860
P2258
P3928
P6592
Atom HG23 of residue 70
P3858
P3394
P5080
P4497
P6222
P10760
Atom OE2 of residue 34
P2930
P3137
Atom OH of residue 59
P4300
P7085
Atom HB3 of residue 37
P1792
P7452
P7235
P11898
P4474
P3359
P5309
P12805
Atom HG2 of residue 16
Atom CD of residue 31
P5248
P1507
P2780
P4088
P6558
ASP
Atom HD22 of residue 69
P3556
P7177
P5708
Atom HG13 of residue 70
P3937
P1965
P6355
P40
P7785
P2939
P6582
P1849
P4509
P1840
P7015
P7092
P315
P7775
P7974
P0
P3160
P1599
P2483
P5362
Atom O of residue 33
P3859
P7300
Atom H of residue 28
P4874
P3076
P1803
Atom O of residue 73
P3383
P3360
P2343
Atom N of residue 37
P5098
Atom CG1 of residue 23
P8551
Atom HA of residue 69
P5709
P5505
P2310
P2861
Atom HE22 of residue 40
P1519
P7752
P3929
P9568
P10761
Atom H of residue 59
P4301
Atom CG of residue 68
Atom HG2 of residue 37
P3395
P4498
P36
P6223
P2259
P4089
P6559
P5081
P6593
P5699
P2544
P7237
P1628
P2931
P3138
Atom CD of residue 40
Atom CD1 of residue 55
P11899
P4475
P7786
P7086
P3360
P5310
P7236
P12806
P5249
P7776
P2781
Atom O of residue 38
P7178
P7453
P5710
P1851
P1843
P1311
P3938
P6356
P2484
P3
P316
P3860
P3161
P3361
P6583
P1498
P1966
P5363
P4302
P1593
P3557
P2940
P8552
Atom HA of residue 28
P7016
P4875
Atom CB of residue 73
P3384
Atom HA of residue 59
P5700
P3077
P7975
P7238
P7301
P7753
P6224
P5099
P1804
P4090
ListSingletonContainer50
P5506
P2862
PRO
P3930
P7093
P6594
Atom HB of residue 23
P9569
P4499
Atom CA of residue 56
P1845
P2344
Atom HG3 of residue 42
Atom CD of residue 6
P1499
P2545
P2932
P5082
P3140
Atom ND1 of residue 68
P5711
P2260
P3396
P4510
P10762
P4476
P6560
P5311
P12807
P7087
P5250
Atom HA of residue 70
P2782
P7237
P2311
ASN
Multivariate Normal distribution 25
P7787
P11900
Atom NE2 of residue 40
P293
P7777
P3939
P4
P7454
P6357
P6584
P7976
P7179
P1506
P3861
P1629
P3162
P3139
Atom CB of residue 33
P3362
P4091
Atom HB2 of residue 8
P1848
P3361
P4303
Atom HB3 of residue 69
P7094
P2941
P7302
Atom HB1 of residue 28
GLN
P4876
P3385
P3931
P3558
P3078
P1967
P7754
P4500
P43
P6225
P7017
P5100
P1805
P10763
P1848
P5507
P2485
P2863
Atom N of residue 73
Atom HB2 of residue 59
P5701
P7239
P5364
P8553
Atom CA of residue 37
Atom HE21 of residue 40
P9570
P1594
P12808
Atom CD of residue 54
P2933
Atom CD of residue 11
P3397
P5083
Atom C of residue 28
Atom HE of residue 72
P6595
P5312
P2312
P2261
P5251
Atom ND2 of residue 25
P2783
P5712
P2345
P7088
P6561
P7455
P7238
P4477
Atom HB2 of residue 65
P11901
P3940
P4511
P6358
P7788
P2942
P7180
Atom CB of residue 40
P7778
P3862
P3163
P3386
Atom CG of residue 33
P3363
P294
P4092
P4304
Atom CB of residue 68
P1842
P7095
P7977
P1630
P3366
P7018
P4877
P0
P6585
P3932
P3559
P3079
P1525
P5365
P7755
P8554
P4501
P5101
P5508
P6596
Atom O of residue 9
P2864
Atom CB of residue 25
P1968
P7303
P1806
P3398
P6226
Atom HH12 of residue 72
P1595
P2486
P10764
ListSingletonContainer52
Atom HB3 of residue 59
P12809
P5702
Atom NE of residue 54
P7240
P0
ListSingletonContainer582
Atom H of residue 22
P6562
P5084
P5313
P5252
P2934
P2784
P1820
P4512
P3141
P6359
P5095
P4478
P7789
P2262
P7089
P1314
P4093
Atom H of residue 25
P5713
P7239
P2346
P6586
P7779
P3941
P5679
P9571
P2313
P2943
P1526
P1846
P11902
P3863
P7456
P3164
P3406
P3387
Atom HA of residue 24
P7181
P4305
P283
Covariance1DFunction 23
GridCPF
Atom CD of residue 33
Atom O of residue 28
P4878
P3933
Atom HB2 of residue 29
P7096
Atom HG13 of residue 26
P3080
Atom CG of residue 25
P7978
P5366
Atom HB3 of residue 73
Atom HH21 of residue 72
P5102
P1821
Atom C of residue 49
P27
P5509
P2865
Atom HB3 of residue 65
P1635
P7019
P2487
P5703
P7241
P7304
Atom H of residue 15
P4502
P6227
P1600
Atom H of residue 55
P7756
P6597
P1807
P8555
P5680
P3399
P9572
P10765
P3560
P4479
Atom CZ of residue 54
P5314
Atom N of residue 68
P7097
P3364
P12810
P5253
P1969
P2935
P2785
P7457
P5085
P2548
P6360
P5714
Atom CG2 of residue 22
P5120
P4513
P4094
P3142
P11903
P7090
P3942
P6563
P3364
P7240
P2944
Atom HB2 of residue 24
P7182
P2347
P0
P3864
P3165
P7790
P2263
P6587
P4306
P7020
Atom HA of residue 65
P7780
P7979
P2314
P4879
P3388
P1847
P3081
P284
Atom CG of residue 1
Atom CA of residue 22
P4503
P5103
Atom HB3 of residue 29
P5510
Atom HG21 of residue 26
P2866
P1523
Atom HG of residue 73
P8556
P5367
Atom CD of residue 6
P34
Atom HD1 of residue 59
P6228
Atom HA of residue 55
Atom HG13 of residue 23
P7305
Atom HB of residue 7
P7757
P10766
Atom OD1 of residue 46
P3365
P2936
P3934
P1601
P3400
P6564
P5124
P4514
Atom H of residue 20
P9573
Atom CE of residue 33
P6598
P2488
P4480
P5704
P1808
P7242
P5315
P7098
P12811
P5254
Atom C of residue 12
P2786
Atom N of residue 73
P7791
P5681
P5086
Atom C of residue 68
P7781
P4095
P1632
P3365
P3143
P3561
P1970
P7458
ClosePairContainer
P6361
P29
P2945
P7091
P5715
P7241
P3865
P3167
P3389
P3943
P1529
P4307
P11904
P2348
P4880
Atom HG21 of residue 23
P1763
P6588
P1819
P7183
P1844
P3366
P3082
P4515
P4504
P1330
P7021
P2315
Atom HA of residue 12
P2264
P5104
Atom HG2 of residue 38
P5511
Atom HG2 of residue 19
P5705
P2867
P285
P7980
P7243
P70
P5368
P6229
P3166
P6599
P7306
P2937
Atom HD22 of residue 73
P3935
Atom CE of residue 6
P1597
P2489
P1314
Atom CA of residue 12
P3401
P7758
Atom O of residue 47
P4481
P8557
P5855
P5716
P7099
P12812
P5255
P2787
Atom HA of residue 20
P9574
P10767
P1809
Atom C of residue 64
P6565
P1833
P2549
Atom O of residue 68
P3334
P5087
P3144
Atom HG3 of residue 72
P1530
P5682
P5096
P6362
P7792
P2946
P3562
Atom HG22 of residue 23
P7092
P7782
P4096
P3866
P7459
P3390
P7184
P7242
P6589
P3944
P7981
P1971
Atom HA of residue 73
Atom NZ of residue 33
P4308
Atom HB of residue 55
Atom HG3 of residue 38
P4516
P11905
P4881
P1764
P9575
P2349
P3083
P5105
P5512
P2868
Atom O of residue 64
P3936
ListSingletonContainer51
P7022
P2316
P2265
P3402
P5369
P10768
P6230
P286
P7759
P8558
P5857
P5706
SingletonModifier 5
P7244
P2938
Atom CG2 of residue 22
P3367
P8564
P7307
P2550
HIS
P1849
Atom HA2 of residue 47
Atom CG2 of residue 26
P4486
P7100
P12813
P5256
P2788
P6600
P1810
P5683
P2490
P8193
P3335
P3145
P5717
P6566
P7460
P5097
P5088
P6363
P4505
Atom HG1 of residue 55
P2947
P1835
P4517
Atom HD2 of residue 72
P3867
P7793
P3945
Atom HE1 of residue 4
P7243
P3563
P7783
P11906
P4882
Atom HB2 of residue 16
P1759
P2111
P3168
P3937
P9576
Atom O of residue 70
Atom CG of residue 4
Atom HE1 of residue 59
Atom CB of residue 64
P7982
P1972
Atom HD2 of residue 38
Atom OG1 of residue 12
P4309
P7023
P4482
P6590
P7185
P5513
P2869
Model 2
Atom HE2 of residue 33
P3368
P3084
P2266
P7093
P5370
P6231
P2350
Atom HG22 of residue 36
P6601
Atom H of residue 26
Model 90
Atom C of residue 73
P1851
P2317
Atom HD3 of residue 33
P2939
Atom CD1 of residue 71
P287
ASP
P3403
Atom CE2 of residue 4
P10769
P5106
P7308
P3391
P12814
Model 160
P5257
P1534
P1533
P2789
P7760
P4506
Atom C of residue 47
P1811
P6567
P8559
P5829
P30
P7101
P8196
P3146
P5098
Atom H of residue 33
P6364
Atom HE2 of residue 59
P7794
P2948
P3247
P4518
P5089
P5718
P6591
P7784
P3868
P7245
P5684
P1829
Atom CB of residue 70
P3946
P4310
P11907
P3369
P2491
Atom HD3 of residue 42
P7094
P7244
P4883
P9577
P3564
P3085
P2551
Atom HZ of residue 45
Atom HG23 of residue 36
P3169
Atom HA of residue 12
P5514
P2870
Atom CG of residue 64
P7983
P3938
Atom HZ1 of residue 27
P1973
P5371
P7761
P6232
P4483
P5107
P7461
P3392
P7186
P6850
P7024
P2318
P2267
P2940
P2351
P1760
P1535
P3404
Atom CZ of residue 4
P8560
P6602
P5707
P7102
P12815
P288
Atom CB of residue 71
P5258
P7246
P5685
P7309
P2790
Atom HA of residue 33
P10770
Atom N of residue 82
P5830
P3757
Atom CA of residue 58
P3147
P4507
P5719
P3947
P5099
P6365
Atom HE of residue 42
P2949
Atom O of residue 58
P7462
P3248
P4519
Atom N of residue 12
ALA
P3869
P6568
P5090
Atom HD22 of residue 71
P1812
P2552
P1467
P11908
P3370
P7095
Atom HB of residue 12
P4884
P7795
P6592
P3939
P9578
P135
P7025
P2492
P3565
P3086
P7785
P7984
P4311
P4484
P3170
P6851
P5515
P2871
Atom HA of residue 6
Atom CG of residue 71
P1830
P5372
Atom H of residue 4
Atom O of residue 12
P7187
P6233
P5108
P3393
Atom HZ2 of residue 27
P1531
P2941
Atom HB2 of residue 33
P7245
P2358
Atom HA of residue 71
P1974
P3405
P7762
Atom CG1 of residue 70
P10771
P2319
P137
P2268
Atom C of residue 58
PairPredicate 0
P7103
P12816
P5259
Atom CA of residue 65
P6569
P2791
P5091
P6603
P5708
ALA
P7247
P7310
P5831
P1860
P289
P1761
P3148
P3806
P136
P1470
Atom CG2 of residue 13
P7796
P1
P5686
P5100
P8561
P2553
P6366
P2950
P7786
Atom CB of residue 58
P7464
P3249
P4520
P4508
Atom OE1 of residue 2
Atom HE2 of residue 63
P3870
P6852
P8216
P1813
P3948
Atom H of residue 13
P4312
P5720
P3371
Atom CB of residue 2
P2493
P139
P4485
P4885
P3394
P3940
P11909
P5709
P7096
Atom HA of residue 4
P7246
Atom HB2 of residue 71
Atom CZ of residue 4
P6593
P3171
P9579
Atom HG23 of residue 12
P5516
P3566
P2872
ASN
Atom O of residue 12
Atom HB3 of residue 33
P7026
P3087
P3406
P2
P5377
Atom HD23 of residue 15
P6234
Atom CB of residue 14
P2
P7985
P1471
P1532
P2942
P4509
Atom H of residue 13
Atom N of residue 40
P1766
P7188
Atom CG2 of residue 70
P6604
P5109
Atom CA of residue 31
P1831
P7104
Atom O of residue 48
P12817
P5710
P7097
P5260
P2792
P7763
P8562
P2320
P2269
P1975
P7248
P5832
Atom CA of residue 46
P5721
P2361
P7311
P3149
P10772
Atom CD1 of residue 71
P6570
P5101
P5092
P6367
P11910
P2951
P290
P7465
P3250
P4521
P3871
P5687
P6853
P7797
P1768
P3949
Atom CB of residue 88
Atom HB2 of residue 4
P3395
P4313
P3372
P7787
P3755
P4101
P4886
P6594
Atom HA of residue 30
P7986
P3941
P9580
P2554
Atom CB of residue 24
P8217
P1462
Atom H of residue 71
Atom CG of residue 58
UnaryFunction10
P4510
P7247
P3172
P5517
P1814
P35
P141
P3088
P3407
P5431
Atom C of residue 7
P6235
P1850
P3567
P5711
Atom N of residue 13
P7027
P2494
P2873
P5261
P0
P2943
Atom N of residue 16
P7189
P10773
P1537
P7764
P5110
P12818
P4487
GLN
P7098
P2793
P1832
P5833
P3150
P2321
P6605
P2270
P7249
P5688
P7312
P5102
Atom CB of residue 21
P6368
P7105
Atom CB of residue 48
P2952
P13083
P1976
P3251
P4522
Atom HG23 of residue 12
Atom CG of residue 24
P5722
Atom HB of residue 30
P3872
P6571
P5093
P2563
P6854
P291
P3950
P7463
P11911
P3373
Atom HG2 of residue 33
P1861
P1463
P4104
P4887
P7798
Atom CG1 of residue 88
Atom HH11 of residue 42
Atom HB3 of residue 4
P9581
Atom H of residue 25
P138
P7788
P3396
P4511
P3807
P1539
P3173
Atom CA of residue 13
P2874
P1815
P7987
Atom HB2 of residue 58
P3942
DihedralSingletonScore2
P7248
P7028
P3089
P6595
P6236
P2495
P5518
P5262
P2944
P5375
P2555
P4314
P6606
P3568
P7250
P3408
P2357
Atom O of residue 71
P5712
Atom HD23 of residue 15
P5111
P1836
P12819
P1765
P7099
P2794
P7190
P10774
P8218
Atom O of residue 57
P5834
Atom CA of residue 13
Atom HG22 of residue 12
P1464
Atom CG of residue 48
Atom HG22 of residue 30
P7765
P3151
P7249
P2322
P4488
P2271
P0
P6572
P5103
P5094
P6369
P7106
P2953
SingletonConstraint 5
P7313
P3252
P4523
P3873
Atom CG of residue 21
P6855
P1862
P7799
P3951
P1977
P7466
P3397
P3808
P5723
P6596
P7789
P5689
Atom C of residue 70
P4888
P292
Atom O of residue 40
P3943
P11912
Model 141
P3090
P5376
Atom HG3 of residue 33
P2556
P4512
Atom HG21 of residue 12
P3374
P4099
P3174
Atom HD1 of residue 4
P39
Atom C of residue 42
P5519
P2875
P4315
P13084
Atom CG2 of residue 22
P3409
P6237
Atom C of residue 23
P7988
P2945
P1837
P7766
P8219
P1472
P2496
P3569
P1356
P7029
P2055
P5112
P1816
P3156
P7191
P12820
P7100
P5263
P2795
P9586
P6607
P5713
P7251
Atom CB of residue 57
P5835
P5690
Atom O of residue 70
P10775
P7250
P2323
ListSingletonContainer534
P4489
P2272
P5104
P6370
P3991
P2954
P7467
P3253
P4524
Multivariate Normal distribution 38
P5724
P296
P8411
P3874
P7314
P1476
P7107
Atom HA of residue 4
P3952
P4316
P11913
Atom C of residue 13
P3375
P6573
ListSingletonContainer48
P4889
P8243
P6149
P3758
P3091
P13085
P1978
P3398
P1357
P4513
P4100
P7800
P6597
Atom O of residue 23
P3175
Atom HG2 of residue 42
P7030
P2876
P7790
P7989
P3242
P3944
P2557
P9582
P6238
P1536
P5520
Atom O of residue 4
P2946
P8220
P3570
P3410
Atom HD2 of residue 33
P1852
P2497
P5714
P5113
P1477
P12821
P4490
P5264
P8244
P2796
P7767
P10776
P33
Atom HG23 of residue 55
P1817
P1834
Atom HD2 of residue 4
P5836
P7101
P8412
Atom HE2 of residue 59
P6574
Atom CD1 of residue 15
P7192
P7251
P6608
P142
P7252
P5105
Atom OG of residue 57
P6371
P7108
P2955
P2057
Atom CD1 of residue 4
P3254
P4525
P7801
Atom CA of residue 2
P3875
P5691
P7791
P3953
P1517
P7315
P3243
Atom CA of residue 17
P4317
P9583
P3759
P2324
Atom HB3 of residue 58
P4890
P297
P2273
P7468
P2558
ListSingletonContainer71
P5725
P3992
P3092
P8245
Atom CA of residue 70
P3399
P4514
P3376
P3176
P11914
P5521
P3945
P1468
Atom C of residue 61
P6598
P1979
Atom NE2 of residue 2
P3411
Atom HE of residue 72
P6505
Atom HD3 of residue 33
Atom CA of residue 42
P6239
P7031
P2877
P13086
P2947
Atom CD2 of residue 15
Atom N of residue 56
P7990
P2498
Atom O of residue 1
P5114
Atom HH of residue 59
P12822
P4491
P7102
P5265
P2797
P8221
P6609
P7253
P3155
P7193
P5837
P79
Atom HH22 of residue 72
P7768
P9584
P1853
P1469
P7252
P3571
P5715
P7469
P6372
Atom C of residue 17
P5726
P1581
P2956
Atom CD1 of residue 4
P3255
P4526
Atom O of residue 5
P10777
P1818
P3876
P6575
P2
P11915
P3954
P8413
P5692
P7316
P2559
P3760
P7109
P2325
Atom CG of residue 16
P7802
P2274
P1522
P3093
P7792
P5106
Atom HH11 of residue 72
P6506
P3400
Atom NH2 of residue 42
P4515
P80
P4318
P3989
P3377
P295
Atom HG22 of residue 23
P2054
P6599
P7991
P3177
P2878
P13087
P3946
P1980
P6240
Atom N of residue 59
Atom N of residue 60
P4891
P2948
P8248
P140
P5716
P3412
P7032
P5115
Model 200
P10778
LEU
P12823
P4492
P7103
P5266
P2798
P7769
Atom HB2 of residue 28
Atom O of residue 17
P8222
P5838
P2499
P9588
Atom HB2 of residue 6
P3572
P0
Atom HG3 of residue 24
Atom CG of residue 4
P6373
P2107
P2957
Atom N of residue 73
P8414
P3256
P4527
P7194
P1854
P7253
P5522
P6610
P3877
P7254
P5693
Atom CG of residue 42
P3955
P7470
P5107
Atom HH12 of residue 72
P3401
P2576
P4319
P3994
P7317
P6150
P7110
P11916
P3094
P1819
P4516
P3378
Atom CD of residue 16
P7803
Atom HG23 of residue 23
P3178
Atom HE2 of residue 4
P4892
P2879
P7793
P3947
P3413
P6241
P5727
P2326
P2275
P7992
P6576
P9585
P7033
P147
P6600
P2949
Atom H of residue 24
P3761
Atom CZ of residue 21
TYR
P1981
Atom O of residue 24
ASN
Atom HD3 of residue 72
P5116
Atom HA of residue 1
P13088
P8249
P6611
P12824
P7104
P5267
P7255
Atom HD21 of residue 69
P8223
P5717
P5839
P5523
Atom OG of residue 20
P10779
P7254
P4493
P7195
Atom HE3 of residue 33
P2577
P6374
Atom CA of residue 56
P2958
P3257
Atom HD3 of residue 72
P4528
P7770
Atom HB3 of residue 28
Atom CA of residue 43
P3878
Atom C of residue 8
P1568
P3956
P2804
P5108
Atom CB of residue 17
P1855
P1518
P3573
P7804
P6577
P7471
P3948
P5728
P2500
ListSingletonContainer535
P3095
P6601
P8415
P7794
P5694
P7318
P3402
P4517
P4320
P7111
P3379
Atom HZ of residue 4
P3179
P49
P11917
P4051
P4893
P2880
P1820
P3414
P6242
P2327
P13089
P6151
DihedralSingletonScore10
P5524
P3334
P2950
Atom HG12 of residue 17
P2276
Atom H of residue 16
P7993
P5123
Atom N of residue 27
P8265
P12825
P4494
P5268
Atom O of residue 8
P8224
P7034
P1982
Atom N of residue 10
P1658
P5840
P3762
P50
P143
P6
P7255
P6612
P5718
P9587
Atom HZ1 of residue 33
P6375
Atom CG1 of residue 17
P1911
P2959
P7105
P5695
Atom H of residue 20
P3258
P4529
P10780
P3879
P7771
P1569
P8416
P3957
P2805
P7472
P3403
P7196
P1856
P3993
Atom HE21 of residue 2
P3380
P2501
P149
P3574
Atom CA of residue 29
P5729
P11918
P3096
P7256
P6578
P5109
P4518
P4322
P5117
P7319
P3180
ListSingletonContainer60
P7112
P2881
P1821
Atom CA of residue 84
P6152
P3949
P2560
P5525
P7805
P6602
P3415
P6243
P7035
P7795
P7994
P4894
P3335
Atom O of residue 83
P2951
Atom CB of residue 8
Atom CG of residue 33
P1519
P1912
P8250
P12826
P5269
P3
P6376
Atom CG2 of residue 17
P4321
P8225
P2328
P5719
Atom HG3 of residue 72
LYS
P13090
P5841
P2277
Atom N of residue 5
P2802
P10781
Atom C of residue 42
P144
P4495
P3763
Atom HG2 of residue 6
P2960
P7106
P1983
P3259
P4530
P1659
P6613
Atom HB3 of residue 32
P3880
P7772
P7197
P3958
P7806
P5118
P5696
P1570
P7796
P7260
P3097
Atom CB of residue 83
P6579
P5110
P3404
P4519
P3381
P2502
P150
Atom C of residue 29
P7473
P3181
P1857
P5730
P2882
P2334
P8417
P7320
P6153
P3950
P2561
P7260
P7113
P5526
P4053
Atom HB of residue 26
P3416
P6244
P11919
P3575
Atom HZ2 of residue 33
P4895
P6603
P2952
P9589
P13091
P7036
Atom HG21 of residue 30
P7257
Atom HH12 of residue 42
Atom CG of residue 31
P12827
P5270
P7995
P1520
P6377
Atom H of residue 17
P8226
P2329
Atom C of residue 84
Atom CD of residue 33
P5842
Atom N of residue 33
P3248
ARG
P8251
P2803
P1655
P6614
P4496
P3959
P3764
P5731
P2961
P3260
Atom CG of residue 8
P7773
P5720
P3881
P7474
P1572
P148
P2278
P7107
GaussianProcessInterpolationRestraint 26
P10782
P7256
P5119
P1984
P7258
P4531
P11920
Atom CD1 of residue 15
P8418
P9138
P7198
Atom HG11 of residue 26
P3098
P5697
P5111
P3405
P4520
P1858
P3382
P1909
P7807
P3182
Atom HZ3 of residue 33
P2883
P7797
P8252
P6580
P6154
P3951
P2562
P4054
ListSingletonContainer536
P6604
P7996
P1524
P7321
P3417
P4323
P6245
P7114
P2503
P3576
P4896
P2953
P9590
LYS
Atom N of residue 31
Atom HG21 of residue 9
P12828
P5721
Atom H of residue 46
P5271
P8227
P7037
P5843
P10783
P97
P7257
P3249
P2356
Atom HA of residue 17
P5527
P4497
P13092
P6378
P5732
P2962
P7108
Atom HH of residue 59
P3261
P4532
P7774
P1656
P1941
P3882
P2330
P2279
P3960
P6581
P9296
P6615
P5125
P7262
P5698
Atom CD of residue 31
P7199
Atom N of residue 34
P3765
P7475
P3099
P5112
Atom N of residue 8
P3406
P4521
P3383
P177
P1804
P1985
P1529
P3183
P11921
P3995
P2884
Atom CG2 of residue 88
Atom HG22 of residue 9
P6155
P3952
P2611
P1859
P7808
P3418
Atom H of residue 52
P6246
P8419
P7798
P7322
P7258
P7115
Atom OG of residue 57
P4897
P2954
von Mises sufficient 8
P9591
P4324
P2504
P145
Atom C of residue 72
P7997
P7038
Atom H of residue 20
P3250
P6605
P5528
P12829
P5272
P13093
P31
P8228
P3577
P7259
Atom N of residue 60
P5844
P6616
Atom NZ of residue 11
P5215
P4
P4498
P5722
P3961
P6379
P5733
P1942
P2963
P3262
P1657
P10784
P2357
P1805
P3883
P2331
Atom HA of residue 46
P7775
P3407
P4533
P8831
P7109
P94
P0
P3100
Atom C of residue 86
P6582
P5113
P4522
P3766
P3384
P7809
P2280
P8420
P7476
Atom HD23 of residue 69
P7200
GLU
P3996
P2885
P6606
P7799
Atom NH2 of residue 21
P5699
P6156
LEU
P3953
P2578
P4325
P8253
P6247
P11922
Atom HA of residue 20
P178
P1986
P3184
ScoreState 26
P7262
Atom H of residue 57
P4898
P1523
P7323
P2955
von Mises sufficient 9
P7116
P5529
Atom O of residue 72
Covariance1DFunction 54
P3251
Atom HB of residue 17
P12830
P4499
P5273
P7998
P1314
P8229
P2505
P3578
P7776
P5845
Atom CB of residue 42
P7039
VAL
P1
P1816
P3962
P3419
P6380
P5734
P2964
ASN
P3263
P4538
P93
P6617
P5723
P2335
P3884
P13161
P1896
P5700
P3408
P9592
P10785
P4326
Atom C of residue 29
P8832
P7259
P7261
P7477
Atom CA of residue 12
P1661
P3101
P7110
P5121
P1528
P8254
P5114
P7201
P4523
P3385
P2281
Atom C of residue 70
P3185
P11923
Atom CA of residue 58
P2332
P1913
P2886
Model 3
P6583
P6157
P3954
P2579
P3767
P1806
P6248
Atom HB3 of residue 52
P4899
P7810
P6607
P2956
P4534
Atom CA of residue 34
P5530
P8421
P7800
P7999
P7324
Atom OD2 of residue 52
P7117
P3997
P3252
P1987
P9593
P12831
ListSingletonContainer537
P4500
Atom HZ3 of residue 6
P5274
P3420
P0
P8230
P3
P5846
Atom HG11 of residue 17
P5724
Atom H of residue 30
P1
Atom CA of residue 8
P6381
P102
P7040
P2506
P2965
P179
P3264
P7777
P10786
P1
P3885
P5735
Atom CB of residue 57
P3579
Atom HD13 of residue 71
P1663
P4327
P6618
P1809
P8833
Atom CA of residue 60
P1863
TRP
P7811
P5122
P2336
P4
P5701
P6584
P5115
P3409
P4524
P3386
P146
P7111
P7801
Atom O of residue 70
P2887
P6158
P3955
P5531
P3102
P2282
P8422
P7478
P7202
P6249
P2333
P1914
P3186
P2564
P3768
P4900
P3963
P1805
P2957
P8255
P4535
Atom HA of residue 34
P7261
P11924
P13162
P3421
Atom N of residue 53
P3253
P6608
P7325
P9594
P7118
P12832
P4501
P5275
P8231
P3998
P5847
Atom HG12 of residue 17
Atom HB of residue 14
P1810
P8000
P1988
P7263
Atom HD12 of residue 30
Atom OE2 of residue 18
P6382
P5736
P7041
P2966
P3265
GaussianProcessInterpolation38
P6619
P2507
Atom CA of residue 63
P13163
P7778
P3410
P4328
P5725
P7479
P8834
P3580
P3886
P10787
P5216
P1806
P5116
Atom HB2 of residue 34
P4525
P3387
P176
P3187
P2888
P7112
P2337
Atom OE1 of residue 40
P3964
P5702
P8256
P6159
P3956
P7203
Atom C of residue 34
P1864
P5532
P7812
P3103
Atom HA of residue 30
P3422
Model 379
P6250
P2363
P7802
P6585
P2565
P4901
Atom HG1 of residue 14
P2283
P6609
P2958
ILE
Atom CA of residue 70
P4536
P1660
P1915
P11925
Atom H of residue 52
Restraint 18
P3254
P9595
P12833
P4502
P5276
P8423
P7326
P3769
P7119
P3999
ListSingletonContainer538
P5848
P5726
P7264
P7042
P13164
P8001
P6383
P10788
P5737
Atom HG13 of residue 70
P3266
P7779
P1989
P5217
Atom O of residue 34
P2967
P8835
Atom HE21 of residue 2
P98
P3581
P154
P3887
P6586
ListSingletonContainer579
P7263
P6620
P2508
P3104
P5703
P5123
P3411
P4526
P4329
P3388
P7480
P3188
P2364
P2889
P1808
P6160
Atom HB3 of residue 34
P3957
P5533
ASN
P7113
P3423
P6251
P2284
P2338
P1807
P3965
P2566
P4902
P7813
P8424
Atom HB2 of residue 40
P2959
P7204
P1916
P148
P7803
P11926
P155
P3255
P8257
P9596
Atom CB of residue 34
P12834
Atom CD2 of residue 20
P4503
P5277
Atom C of residue 61
Atom HA of residue 44
P3770
Atom HG22 of residue 70
P1312
P6610
P7327
Atom H of residue 18
P5849
GridCPF
P7120
P13096
P7265
P7043
Atom CE2 of residue 4
P8002
P5117
P6384
P5738
P3267
Atom C of residue 3
P3888
P4000
P1809
P4537
P3412
P10789
P4330
P2968
P1990
P8836
P7780
P7264
P3105
P4527
P3389
P6621
Atom HG1 of residue 9
P3189
P5727
P2890
P5126
Atom HG2 of residue 40
P6587
P6161
P3958
P5534
P7814
P3424
P7481
P6252
P2334
P6611
P7114
P2339
P7804
P5704
P8258
P7205
P2567
P4903
P2960
Atom C of residue 22
Atom HB of residue 44
P11927
P2509
P3582
P156
P3966
Atom HA of residue 18
Atom CA of residue 25
P3256
P13097
Atom HD22 of residue 60
P12835
P4504
P5278
GeneralizedGuinierPorodFunction 53
P5118
P1917
Atom H of residue 64
Atom H of residue 50
P9597
P5850
ListSingletonContainer81
P8425
P8003
P7328
P3771
P7121
Atom HG23 of residue 70
P7781
P6385
Atom O of residue 4
P2361
P2969
P1808
P3268
Atom CA of residue 4
P7044
P147
P4542
P3413
Atom HB of residue 17
P4331
P5728
P8837
P5739
P4001
P8449
P3889
P3967
P13098
P1807
P5705
P10790
P7265
P3106
P4528
P3390
P6622
P1991
P7482
P3190
P2891
P5127
P7266
P6162
P3959
P3425
Atom CG of residue 34
P6253
Atom N of residue 61
P6588
P2568
P4904
P7115
P2961
ClosePairContainer
Atom CB of residue 3
P11928
P5535
Atom CD of residue 19
Atom HA of residue 64
P7815
P3257
P6612
P8426
P1811
P1395
Atom HD22 of residue 50
P4539
Atom HG12 of residue 44
P9598
P7206
P7045
P12836
P5279
P2340
P7805
P5119
P4199
P2510
P8259
P5851
P3583
Atom C of residue 49
P8004
P2366
P1918
P4505
P3968
P7329
GaussianProcessInterpolationRestraint 6
P6386
P105
P7122
P2970
P157
P7267
P3269
P3772
Atom N of residue 71
P8450
P7782
P10791
P4332
ListSingletonContainer539
P5729
P8838
ASN
Atom HG2 of residue 24
P5740
P4002
Atom HA of residue 50
P3960
P6623
P3107
P3414
P3391
P1810
P3191
P7816
P2892
P5128
P3890
P5706
P6589
P6163
P5536
Atom HB2 of residue 64
P7806
P1992
P3426
Atom HA of residue 37
Model 110
P4529
P6254
P2569
P4905
P2962
P7483
P4540
Atom H of residue 60
P107
P1356
P7116
P1396
P8260
P1793
P7207
P3258
P2341
P9599
P11929
P12837
P4506
P2287
P5280
P5125
P7266
P4200
P6613
P5852
P3584
Atom O of residue 49
Atom O of residue 12
P7046
P3969
Atom CD of residue 34
P6387
P3248
P2511
P2971
P8427
P8005
P7268
P7330
Atom HG3 of residue 24
P7123
P1817
P1919
P1397
P3415
P3773
P4333
P2391
P158
P3270
P8839
Atom HB2 of residue 37
P7783
P3961
P6624
P5730
P3108
P13099
P7484
P4530
P5741
P3392
P8451
P3192
P10792
P7267
P2893
Atom CG2 of residue 23
P5129
Atom CA of residue 7
P6164
P1313
Atom O of residue 15
P11930
P5537
Atom HZ3 of residue 6
P5215
P6255
P2570
P4906
P7817
P2963
P4541
P3246
P4003
P7807
P3427
P6590
P3259
P6614
P7117
P3891
P8006
P9600
P12838
P4507
P5281
Atom O of residue 59
P4201
P2342
P8428
P13100
P1993
P1391
P1794
P7208
P5853
P5731
Atom O of residue 19
P1812
P8261
Atom HA of residue 60
Atom OE1 of residue 34
P6388
P2972
Atom HB3 of residue 64
Atom HA of residue 11
P7269
ListSingletonContainer83
P7047
P2365
P7331
P10793
P7124
P3585
P3970
P7784
P3416
P3774
P4334
P3393
P2512
P8452
P3271
P8840
P5742
P1920
Atom CB of residue 49
P4
P3966
P3109
Atom OD1 of residue 58
P6256
Atom OD1 of residue 25
P159
P6591
P3193
LYS
P7268
P6625
P2894
P5130
P6165
P5538
P1392
P7485
P4531
Atom CD1 of residue 23
P3892
P5707
Atom C of residue 108
P2571
P4907
P13101
P2964
P106
P11931
P3428
Atom HB2 of residue 60
Atom OE2 of residue 34
P3157
P7818
P3260
P12839
P4508
P7118
P5282
P7808
P8262
Atom CB of residue 59
P7209
P4202
P1816
P1788
P5858
P4004
P2
P5732
Atom CB of residue 19
Atom H of residue 25
P8007
P5121
P3962
Atom HE22 of residue 2
P7048
P6615
P2343
P3971
P9601
P6389
P2973
P1
P1994
P7270
Atom OD2 of residue 58
P3272
Atom CG of residue 54
P1722
P6626
P3586
P8429
P7332
P3417
P4335
P7125
P8841
Atom HB3 of residue 37
P10794
P3775
P3110
P1400
ScoreState 6
P4536
P6257
P3394
P2513
P3893
P3194
P7785
P7269
P1921
P2895
P160
P5131
P6166
P5743
P8453
P3429
P6592
P2572
Atom HB3 of residue 8
P4908
P7819
P2965
P7486
Atom CA of residue 59
P4543
P6616
P7809
P5708
P5859
P3158
P2394
P3261
P13102
Atom CB of residue 43
P11932
P12840
P4513
P5283
Atom HB3 of residue 60
Atom H of residue 40
P5539
P4203
Atom HA of residue 2
P7119
P5733
P5122
P4532
P2344
P8430
P1789
P9602
P7210
P6390
P4005
P2974
P8008
Atom H of residue 58
P3273
Atom HG2 of residue 37
P3894
P1811
P7786
P3963
Atom C of residue 44
P3972
P7271
P5709
P3418
Atom CD of residue 54
P4336
P5744
P7049
P3395
P1995
P7333
P8842
P7126
P3587
Atom HD2 of residue 37
Atom HG1 of residue 22
P1404
P3776
P6627
P8454
P3111
P3195
P10795
P7270
P4509
P2896
P5132
Atom C of residue 59
P6167
Atom CB of residue 8
Atom O of residue 42
P7487
P6258
P1922
P2514
GLN
P2573
Atom CG of residue 43
P4909
P5710
Atom HA of residue 40
P11933
P3430
P6593
P3159
P3
Atom N of residue 21
P3262
P13103
P1406
P104
P12841
Atom C of residue 38
P161
P5284
P2966
P5540
P1715
P4204
P7820
P6617
P7050
P5734
P7120
P7810
P8009
P5216
P3964
P7211
P4533
P2345
P3973
P1790
Atom H of residue 34
P6391
P5856
P2367
P2975
P7272
P3274
Atom HZ1 of residue 48
P3895
P9603
Atom CZ of residue 3
P4006
Atom O of residue 44
P1315
P4544
Atom HG3 of residue 37
P3419
P4337
P3396
P8843
P8431
P7334
P7787
Atom NE of residue 54
P3777
P7127
P3112
Atom O of residue 32
P5745
P3588
Atom HD3 of residue 37
P1996
P5711
P3196
Atom HG2 of residue 1
P6628
P2897
P5133
P1403
P6168
Atom HB2 of residue 40
P3431
P6259
P7271
P7821
P6594
Atom HG22 of residue 13
P2574
P8455
ListSingletonContainer555
P4510
P4910
P7811
P10796
P5541
Atom HA of residue 58
P3160
P2515
ASP
P3263
P7488
P5217
P12842
P5285
Atom HZ2 of residue 48
P2967
P7212
Atom HA of residue 34
P4205
P1923
P8326
Multivariate Normal distribution 6
P11934
P5337
P4534
P1716
P162
P6618
P7121
Atom HD2 of residue 37
P1791
P3965
P9604
P6392
P2368
P5735
P2976
P13104
P7273
P1398
P3275
Atom ND2 of residue 39
P7051
P8432
Atom CE of residue 1
Atom HD2 of residue 37
Atom CB of residue 44
P3974
P8010
P4545
LEU
P3778
P4338
P8844
P4007
P2346
P3896
P6629
P3113
Atom C of residue 31
P7335
P108
P7128
P3197
P7788
P7272
P8456
P4511
P2898
P5134
Atom CB of residue 32
P7489
P6169
Atom HB3 of residue 40
P5746
P5542
P3589
Atom N of residue 38
P8327
P10797
P6260
P1997
P5712
P2575
P11935
P4911
P2968
P4546
P3420
Atom CG2 of residue 13
P1399
P3432
P3161
Atom CD of residue 19
P7822
Atom CD of residue 2
P12843
Atom H of residue 3
P5286
P7812
Atom HD21 of residue 8
P6595
P3397
P4206
P6619
P8011
P1795
P2516
P5736
P3264
Atom HB2 of residue 34
P5340
P3975
P6393
P2369
P2977
P7122
P7274
P3276
P5126
P7213
P1717
P1924
Atom CA of residue 60
P181
Atom H of residue 12
P163
Atom CD of residue 2
P4339
P7052
Atom HG1 of residue 9
P8845
P9605
P2347
Atom HZ3 of residue 48
P3897
P7789
P3114
P4547
P3967
Atom CA of residue 7
ListSingletonContainer86
P5747
P4008
P8433
P7336
Atom HB2 of residue 73
P3198
Atom CB of residue 4
P7273
P7129
P2899
Atom N of residue 48
P5135
P6170
Atom HD3 of residue 37
P3421
P4535
P3779
P5543
P3590
P4512
Atom H of residue 4
Linear1DFunction 7
P6596
P10798
P6261
P6630
P2614
P182
P4912
P2969
P7490
P3398
Atom OG1 of residue 7
P1998
P5713
P1796
P3162
P8457
Atom HB3 of residue 34
P1928
P11936
P12844
P5287
P4207
P7823
Atom CE2 of residue 4
P5737
P3265
P1372
P7813
Atom C of residue 60
P3976
P8328
Atom CE2 of residue 3
P6394
P2517
P2978
P8012
P3278
P5127
P4548
P7214
P5339
P7053
P6620
P7123
P3898
P3433
P3422
P4340
P1718
P2370
P1925
P164
P8434
Atom HB3 of residue 73
Atom HG3 of residue 6
P8846
P6631
P7275
Atom N of residue 38
P9606
P3115
P3968
P4009
P3399
P1375
Atom N of residue 49
P3199
P2615
P7274
P2900
P5136
P7337
P6171
Atom HB3 of residue 60
Atom HA3 of residue 53
P4541
P3780
P7130
P3591
Atom O of residue 67
PHE
P3277
P7790
P6262
P8458
Atom HA3 of residue 47
P2348
UnaryFunction35
P5714
Atom HG2 of residue 34
P5748
P4913
P2970
P8329
Atom CG of residue 65
P10799
Atom HD13 of residue 44
P5544
P6597
P5333
P3163
Atom N of residue 32
P3266
P7491
P1930
P12845
P5288
P7814
P4208
P4514
P1999
P11937
P5738
P3
ListSingletonContainer85
P3434
P6395
P2979
P1376
P5128
P4553
P4537
Atom O of residue 60
Atom C of residue 68
P7824
P3899
P6621
P7124
P3977
P8013
P7215
P4341
P1719
P1926
P2518
Atom CB of residue 67
Atom HB3 of residue 32
P8847
P7791
P10800
P3400
Atom H of residue 31
P7276
P5749
P7054
P3116
P3423
P3969
P9607
Atom H of residue 23
P3200
P6632
P2901
P5137
P8331
P6172
Atom N of residue 54
P4010
P2371
Model 161
P8435
P7338
Atom HD22 of residue 73
P5334
P109
P6263
P7131
P165
P2349
P2053
Atom HD21 of residue 60
P4914
P2971
P7492
ASN
P7275
P5545
P3592
P3435
P4549
P2612
P3165
P3267
PRO
Atom HG3 of residue 34
P3781
P11938
P12846
P5289
P5715
P6598
P4209
P8459
P4515
SER
Atom CD1 of residue 67
Atom N of residue 33
P4538
P7825
P6396
ListSingletonContainer87
P7055
P2980
LYS
P1368
P7815
P8014
P2000
Atom HA of residue 73
P5129
P7216
Atom HA of residue 31
P3900
P8355
P1897
Atom N of residue 45
P153
P5739
P6622
P3978
P3164
P1720
P7125
P8848
P10801
Atom H of residue 60
P1927
P3117
P8436
Atom C of residue 61
P3279
P3424
P3970
P4342
P2519
P7277
ASN
P3201
P7792
P9608
P2902
P5138
P1
P2054
P6173
P5750
P5546
P1369
Atom HD12 of residue 23
P5716
P2613
P5335
P6264
P6633
P7339
P3436
Atom HA2 of residue 53
P7132
P4011
P154
P4915
P2
P2972
P7276
P8460
P6599
P3401
P2372
P166
P3268
P7816
Atom CA of residue 33
Atom HA of residue 48
P112
P12847
P5290
P4210
P4516
P7493
P4550
Atom N of residue 35
P3782
P4539
P3593
P7826
P2350
P3979
Atom CA of residue 38
P6397
P11939
Atom CA of residue 24
P2981
Atom HA of residue 23
P2001
P5130
P1426
P6623
P3901
P5740
P4343
P7056
P8849
P1898
P10802
PHE
Atom HD22 of residue 67
P7126
P8015
P7278
P7217
P3118
P3280
P3425
P3971
P2520
P8356
P3202
P1316
P1928
P6634
P2903
P5139
Atom CD1 of residue 61
P6174
Atom C of residue 38
P9609
P1442
P5547
P7793
P5341
Atom HG1 of residue 14
P6265
P3402
P3437
P7494
P5751
P4916
P8437
Atom CG of residue 73
P2973
Atom HB2 of residue 48
P7133
P2373
GLU
Atom HB3 of residue 4
P5717
P4551
P11940
P4012
P1731
P3269
P1427
P7277
P12848
P5291
Atom HD12 of residue 13
P4211
P4517
P167
P7817
P6600
P4540
P8461
P3594
Atom HD23 of residue 8
P1733
P8016
P7340
P6398
P3783
P3166
P2982
P5131
P7827
P6624
P3902
Atom HG21 of residue 55
P3980
P3426
P1428
P2351
P2002
P8330
P8850
P10803
P5741
Atom CB of residue 114
Atom O of residue 38
P7218
Atom H of residue 23
P7057
Atom CG of residue 67
P7127
P3281
Atom HA of residue 13
P5342
P1899
P4344
P3203
P7794
P1444
P3403
P2904
P5140
P8438
P6175
P5752
P5548
P3119
P7279
Atom HE2 of residue 48
P3972
P9610
P6266
P1929
P2521
P4552
P4917
P2974
P6601
Atom HG21 of residue 14
P7278
P2374
P6635
P7828
P1734
P7341
ListSingletonContainer541
P3270
Atom HG22 of residue 55
P3
P7495
GLY
P8462
P12849
P5292
P5718
GLY
P4013
P4212
P3599
P4518
Atom HG23 of residue 7
Atom CA of residue 61
P1450
P11941
P168
P3981
Atom CB of residue 38
P6399
P3167
P2983
P7818
P3438
P5132
Atom H of residue 48
P7134
P1418
P3903
P3784
P5742
P8017
LYS
P3427
P7058
P1723
P6625
P2352
P1
P7280
Atom O of residue 61
P8851
P3404
ListSingletonContainer542
P3120
P3282
P3973
P4542
P10804
P4345
P6636
P7128
P2003
P3204
Atom CG of residue 114
P7219
Atom O of residue 58
Atom HD12 of residue 23
P2905
P5141
P6176
P1900
P5549
P6267
Atom CA of residue 10
P9611
P4918
Atom CG1 of residue 3
P2975
P7795
P5338
P1930
Atom HA3 of residue 35
P7829
P5719
P7342
Model 123
P5753
P2522
P3271
P8439
Atom O of residue 61
P7135
P12850
P5293
P3
P6602
P4014
P4213
P4519
P3439
P4
P7496
P1408
P7279
P1419
P6626
P7819
P3982
P6400
P3168
P11942
P3600
P2984
Atom HB3 of residue 34
P5133
Atom CA of residue 35
P1724
P2375
P8463
Atom HG23 of residue 55
P3904
Atom CB of residue 58
Atom CG of residue 20
P4346
P8852
P10805
P3785
P3405
P8018
P4554
P7220
P3121
P169
P2353
P8332
P3283
P7796
P3428
P3974
P4545
P5743
P4
P7281
Atom CA of residue 48
P3205
P114
P5754
P7059
P2906
P7129
P5142
P1729
P6177
P1901
P5550
Atom C of residue 35
P6268
P6637
P8440
P3
Atom HA of residue 1
P2004
P155
P4919
P2976
P1396
P8371
P9612
P5373
Atom H of residue 7
P1931
Atom N of residue 36
P7830
P1409
P1420
P3440
P2
P7136
P12851
P5294
P7343
Atom OD1 of residue 39
P4015
P4520
P11943
P2523
P8464
P3272
P5720
P6603
P0
P4543
P7280
P3983
Covariance1DFunction 74
P6401
P3169
P4214
P2985
P5134
Atom CG of residue 38
Atom CG of residue 5
P5744
P6627
P3905
P1397
P7497
P7060
Atom HG3 of residue 34
P7820
P8019
P4347
Atom N of residue 56
Atom C of residue 48
P8853
Atom O of residue 35
P10806
Atom CG of residue 58
P7344
P4555
P2376
P3122
P3284
P3429
P3786
P110
P3206
P3406
P2907
P5143
P2354
P8372
P5374
P170
P7130
P1730
P7282
P7797
P3975
P7221
P1410
P6269
P1421
P3441
Atom H of residue 9
P5755
P4920
P5721
P2977
P8333
P1902
P1932
P6638
P7831
P3598
Atom CA of residue 34
P2005
Restraint 162
P12852
ILE
P5295
P6604
P6178
P4215
P4521
P8441
Atom HH21 of residue 42
P7821
P1398
P0
P7137
P3273
Atom OD2 of residue 39
P5551
P3984
P7498
P6402
P3170
P7281
Atom HA of residue 25
P2986
Atom CD of residue 13
P5135
P9613
P2524
P156
P3906
P4557
P11944
P4016
P3430
P1411
P4348
P8465
Atom H of residue 34
P1422
P6628
P8854
P3407
P5745
P7345
P7061
P3123
P3285
P3976
P7138
P8020
P7283
P3207
Atom CD of residue 38
P2377
P2908
P5144
P8334
P4544
Atom HE3 of residue 6
P7222
P6270
P6639
Atom H of residue 32
P7131
P2355
P3442
Atom CB of residue 39
P3787
P111
P4921
Model 4
P1731
P2978
P6179
P7798
P0
P171
P1431
P8442
Atom HH22 of residue 42
P3244
Atom OD1 of residue 58
P5756
P3274
P1391
Atom HH11 of residue 42
P8375
P9614
P5343
P1903
P5552
P12853
P7832
P5296
P5722
P1412
P10810
P11945
P4522
P2006
P4556
Atom HD3 of residue 19
P1933
Atom OE1 of residue 34
P3985
P1554
P7499
P6403
P3171
P4216
P8466
P2987
P7822
P6605
P5136
Atom H of residue 35
P7282
Atom HG3 of residue 31
VAL
P6629
P3907
P8021
ListSingletonContainer94
P4017
P4349
P8855
P3408
P2525
ListSingletonContainer543
P7346
P3124
Atom HH12 of residue 42
P3286
Atom HA of residue 38
P3432
P7139
P5746
P3208
P7062
P2378
P2909
P5145
P10807
ILE
P5553
Atom CA of residue 43
P7799
Atom CG of residue 54
P3977
P6271
Atom O of residue 42
P2359
P2
P3245
P3443
P5757
P4922
P7132
P7284
P2979
P6180
P7223
P1413
P4546
P7833
P1392
P129
P172
P3275
P1732
P8335
P6606
P9615
P5344
Atom CA of residue 20
Atom O of residue 33
P6640
P12854
P5297
Atom N of residue 20
P3431
P3788
P4217
P4523
Atom HA2 of residue 35
Atom HE21 of residue 31
P1443
Atom HD12 of residue 69
P5723
P1904
P1934
P8443
P3986
P6404
P3172
P11946
P2988
P2007
P5137
P8376
Atom HA of residue 32
P3908
P1555
P7500
P7283
P7823
Atom HB2 of residue 38
P10808
P125
P4350
P8856
ListSingletonContainer504
P5747
Atom CB of residue 41
Atom N of residue 61
P8022
P7347
P1414
Atom CA of residue 13
P7063
P8467
Atom OD1 of residue 25
P3125
Atom OE2 of residue 34
P6630
P1735
P7285
P1393
P3287
P4558
P3978
P4547
P7140
P3209
P4018
P3409
P2526
P2910
P5146
P5554
Atom CB of residue 33
P6641
P7224
P0
P6272
P2379
P3444
P8233
P8336
P4923
P2980
P10809
P7834
P7133
P7501
Atom N of residue 29
P3276
P7800
P5345
P12855
P5298
P8444
P3157
P5724
P6181
P5758
P4218
P4524
Atom HB3 of residue 4
P8377
P9616
P1736
P6607
P3789
P1401
Atom CD of residue 54
P6405
P3173
Atom HE22 of residue 31
P2989
P6631
P5138
P1905
P173
P1429
P3909
P1415
P8468
P1550
P4351
P7284
Atom ND2 of residue 25
P2008
P8857
P124
P3410
Atom CG of residue 33
P3126
P3987
P3288
P4559
Atom O of residue 8
P9617
Atom HA3 of residue 35
P4548
P7141
P1935
P80
Atom C of residue 61
P7824
P8023
P7348
P3210
Atom CA of residue 70
P4019
P2911
P5147
P1406
P7801
P11947
P5555
P5748
P7286
P3433
P3979
P6273
P7064
P3445
Atom HG2 of residue 38
P2527
P4924
P2981
P2380
P6642
P7835
Atom CG2 of residue 14
P7502
Atom CB of residue 54
Atom CE2 of residue 34
P3277
P1430
P7225
P1416
P5346
P12856
P5299
P3158
P6182
LYS
P4525
P2358
P8337
P5759
Atom O of residue 33
Atom NH2 of residue 112
P6406
P3174
P2990
P1737
P5725
P6608
P5139
P3790
Atom H of residue 26
P7134
P8445
P2049
P3910
P1407
Atom O of residue 35
P4560
Atom C of residue 70
P3988
P8378
P4352
P11948
P5749
P6632
P8858
P1906
P7285
P7065
P3411
P174
P7825
P8024
P7349
P1551
P79
P3127
P3289
P3980
P9618
P2009
Atom HD11 of residue 69
P3211
P4990
Atom CG of residue 42
P10811
P8469
Atom H of residue 8
P2912
Atom CZ of residue 34
Atom CA of residue 34
P1552
Atom N of residue 36
P7142
P4219
P6274
P3446
P1417
P1936
P4925
P2982
P7802
P3434
P99
P5556
P8338
P7503
P4020
P3278
P5726
P7226
P5347
P2381
P6643
P2528
P12857
P7135
P5300
P5148
P2050
Atom H of residue 14
P6183
P4526
P5760
P7836
P8446
P8297
P6609
Atom HB3 of residue 38
Atom N of residue 113
P3159
P7287
P8379
P6407
P4549
P3175
P2991
P5140
P2005
Atom CG of residue 12
P3911
P4561
Atom HD23 of residue 69
Atom C of residue 43
P1839
P0
P4991
P3791
Atom HA of residue 26
P3989
P8859
P1418
P11949
P3412
P8470
P7826
P7350
P1553
Atom CA of residue 36
P7286
Atom O of residue 12
P4220
P3128
P6633
Model 201
P3290
P3981
P9619
P1907
P7143
P5750
P1552
P1399
Atom HG22 of residue 12
P3212
P7066
P175
P8447
P8298
P3435
Atom O of residue 58
P8025
P2010
P4353
P6275
P3447
P10812
P4926
P2913
P5149
P2983
P5557
P6644
P7288
P7504
P101
P1778
P4021
P1937
ListSingletonContainer588
P3279
GaussianProcessInterpolation1
P7803
P5348
P12858
P7136
P5301
P3161
P6184
P4550
P5761
Atom HB of residue 9
P4527
P0
P7227
P2382
Atom CA of residue 73
P7837
P2006
P2
Atom N of residue 70
P2529
ListSingletonContainer505
P8299
P8339
P6408
P3176
P2992
P1400
P5141
P1419
P3912
P4562
ILE
P6610
P3436
P1224
Atom CB of residue 58
Restraint 19
P6634
P8026
P4992
P8860
P11950
P3413
P204
P3160
P5727
P1557
P8380
P3792
P4221
Atom OE2 of residue 18
P3129
P1362
Atom C of residue 51
P3291
P9620
P4354
P7144
P7827
P3990
P3213
P5
GLU
Atom CG of residue 68
P1557
P5751
P3982
P6276
P7067
P8471
P3448
P4551
P10813
P4927
P2914
P5150
P7354
P2984
P7804
P1908
P5558
P2011
Atom HG3 of residue 38
P1420
P7287
P3280
P7289
Linear1DFunction 19
P7228
P5349
P12859
P82
P5302
P8340
P7505
P6185
P1225
P5762
P1938
P4533
P1838
P6611
Atom CB of residue 2
P2383
P6645
P7137
Atom HE2 of residue 11
ListSingletonContainer84
P1363
P7828
P6409
P3177
P4022
Atom C of residue 73
P2993
Atom HE3 of residue 1
Atom O of residue 51
P5728
P1842
P8270
P5142
P2530
P3913
P4563
P8381
P4222
Atom HD13 of residue 23
P3437
Atom CG of residue 58
P3991
P8861
Atom C of residue 36
Atom HD12 of residue 69
P3414
P205
Atom ND1 of residue 68
P1558
P4993
P1226
P3793
P3130
P3292
P3983
P7145
P11951
P8472
P5752
P7138
P3214
Atom CG of residue 79
Model 241
P10814
P7288
P7068
P4528
P2915
P1364
P6635
P1841
Atom H of residue 11
P9621
P1773
P5559
P7351
Atom HD2 of residue 38
P1969
P1421
P4355
P6277
P3449
P8271
P3
P6646
P4928
P2985
P1558
Atom CD1 of residue 4
P7506
P4552
Atom O of residue 55
P3281
P8027
P7290
P5350
P1909
P12860
P5303
P5151
P6186
Atom HG22 of residue 9
P4223
P1939
Atom O of residue 73
P7805
P2384
Atom CB of residue 51
P1843
P42
P5763
P7829
P7229
P6410
P3178
P7838
P2994
P1843
P3992
P2012
P5729
P6612
P5143
P11952
P3162
P8272
P8341
P4564
P4023
P6636
Atom N of residue 24
P2
P3438
P1422
Atom HD13 of residue 3
P7352
P8862
P2531
P81
P208
Atom CD2 of residue 68
GLY
P3914
P1230
P3131
Atom CB of residue 55
P3293
P4994
P3984
P9622
P4356
P7139
P3215
P8382
P3794
P57
P7289
P4529
P2916
Atom N of residue 12
P10815
P1774
P5560
Atom CA of residue 20
P8028
P1554
P6278
Atom HB2 of residue 43
P7806
P7146
P4929
P5753
P1556
P2986
P5764
P7069
P8473
Atom OD1 of residue 58
P7507
P3415
P3282
P3450
P5351
P6647
P12861
P5304
P5152
P6187
P1423
P4553
P4224
P7291
P0
P1910
P1846
P7353
P8342
P1231
P1940
Atom H of residue 68
P7830
Atom HD3 of residue 38
P7230
Atom O of residue 36
P6411
P3179
P5144
P1970
Atom CA of residue 53
P3163
P3915
P7839
P5730
P8268
P6613
P3439
P2385
P2995
P3993
P2013
P8863
P8383
P11953
P4024
P1840
P4565
Atom CB of residue 73
P5754
P3132
Atom OG1 of residue 55
P6637
P3294
P9623
P4357
P7070
P2532
P7140
Atom CG of residue 51
P3216
P4995
P1232
P4530
P2917
P10816
P5561
P8474
P8029
P1555
P3985
P3795
P6279
P7290
P3416
P7292
P3451
P7147
P4930
P7840
P2987
P1424
P4554
P1944
P1840
P8269
P7508
Atom CB of residue 36
P58
P3283
P5731
P7807
P5352
P1775
P12862
P5305
P5153
Atom O of residue 13
P6188
Atom N of residue 39
P5765
P4225
P6648
ListSingletonContainer506
P7831
P6412
P1911
P3180
P7291
Atom C of residue 53
P3994
P6614
P5145
P7841
Atom HA of residue 68
P3164
P3916
P7231
Atom C of residue 5
P1971
P4358
P2386
P2996
P8343
P8864
P3417
P4566
P1425
P3133
Atom HB3 of residue 43
P3295
P3440
P9624
P11954
P4025
Atom HG12 of residue 13
P206
P7141
P2014
P3217
P1227
P4531
P2918
P6638
P1845
P4996
P10817
ListSingletonContainer68
P5562
P5755
GLU
P7355
P1567
P1556
P8384
P3986
Atom CG1 of residue 36
P4555
P6280
P7071
P2533
P1844
P3452
Atom CG2 of residue 17
P4931
P8030
P2988
Atom CB of residue 13
P3796
P84
P7148
P3284
P7293
P5732
P1308
P5353
P1776
P6649
P8475
P12863
Atom NH2 of residue 74
P5306
P5154
P6189
P4
P4226
P7842
P1291
P7808
Atom HD21 of residue 50
P7509
P1426
P5766
P7232
P6413
P1912
P3181
P7292
P2997
P3995
Atom HD11 of residue 69
P8344
P5146
P73
P1983
P3165
P7832
P3917
Atom CG of residue 71
P3441
Atom HG13 of residue 13
P8031
P8236
P8865
P11955
P3418
Atom H of residue 43
P6615
P4567
ASP
P1972
P3134
P6639
Atom CA of residue 16
P7356
P3296
P8385
P3987
P4557
P4359
P2387
P1615
P1568
P3218
P2919
P1846
P1229
P10818
P4026
P7142
P4997
P6281
P207
P2015
P3453
P9625
P1427
P7149
P8476
P5060
P5756
P2989
P1564
P7072
P2534
P1292
P3285
P5733
Atom CG2 of residue 13
P8235
P7809
P5354
P3797
P1943
P12864
P5307
P5155
P1845
P6190
P5767
P4227
P1616
P7294
Atom HD12 of residue 69
Atom HA of residue 74
P1728
P1349
P7510
P1781
P4532
P1772
P7833
P6616
P6414
P3182
P7293
P6650
P7843
P2998
P5147
Atom HD11 of residue 3
P3166
P4568
P1913
P5563
P83
P1667
P1294
P3442
P4556
P4360
Atom CD1 of residue 71
P180
P8032
P8866
P7233
P1428
P3419
Atom CG2 of residue 36
P3135
P2
P8345
P3297
P7143
P1844
P3219
P1306
P1973
P2920
P3918
P11956
P5757
Atom CA of residue 39
P3988
GeneralizedGuinierPorodFunction 35
P6282
P7073
P2537
P6640
P2
P3454
P4998
P9626
P10819
P4027
P1982
P5062
Atom HD12 of residue 3
P2990
Atom H of residue 13
P1565
P8386
P2388
P3996
P4989
P6651
P3286
P2016
P7295
P5734
P5355
P3798
P12865
P1617
P5308
P5156
P1842
P6191
P7150
P4228
P8232
P1569
P0
P1429
P8477
P1729
Atom C of residue 16
P5564
P4539
P1775
P7834
Atom HD13 of residue 69
P1298
Atom CG of residue 39
P7810
Atom CD1 of residue 36
P6415
P7294
P2535
Atom HA of residue 2
Atom HB2 of residue 74
P2999
P7357
P7511
Atom C of residue 79
P5768
P3167
Atom HD13 of residue 50
P7844
P1
P1668
P8346
P6617
P3443
P4361
P3183
P4990
P11957
AngleSingletonScore2
P8033
P8867
P7234
P1914
ListSingletonContainer57
P3420
P6641
P4569
P3136
P3298
Atom C of residue 43
P7144
P1870
P5148
P3220
P2921
P8387
P10820
P1974
P1430
P6283
P4534
Atom HG of residue 69
P3455
P4558
P5063
P2991
P4999
P4991
Atom CB of residue 71
Atom HE3 of residue 1
P7811
P3989
P9627
P4028
P8478
P5758
P3287
P3919
P7358
Atom HD12 of residue 13
P5356
P3799
P1779
P5769
P7074
P2389
P12866
P5309
P5157
P1347
P6192
P1299
ListSingletonContainer507
P1612
UnaryFunction8
P2017
P5735
P7151
P6652
P1570
P7512
Atom O of residue 15
P5565
P181
P7835
P3997
P7296
Atom OE2 of residue 51
P6416
P3184
P4229
P7845
P3000
P1559
P3168
P4570
P4992
P7295
Atom NH1 of residue 74
P1871
P3444
P1431
P2536
P1770
P1847
P8034
P5149
P8868
GaussianProcessInterpolation58
P3421
P1725
P6618
P1349
P6
P3137
Atom OD1 of residue 39
Model 430
P7235
P1915
P1780
P11958
P1307
P7145
P1660
Atom CB of residue 12
ListSingletonContainer63
P4535
P2922
P6642
P8347
P1300
P10821
P7075
P3299
P1975
P3990
P6284
P3920
P1311
P3221
P9628
P2992
P86
P7297
P5061
P3288
P5736
P7359
P3456
P8388
P5357
P4559
P5566
P2390
P12867
P5759
Atom CB of residue 49
P5310
P5158
P6193
P1432
P4362
P4230
Atom CG1 of residue 13
THR
P7812
P182
P1286
P7152
P4029
Atom HA of residue 14
P1613
P3998
P6417
P3185
P4993
P7296
P6653
P8479
P3001
P2018
P8245
P5000
P3800
Atom HG22 of residue 70
P3169
Atom H of residue 51
P4575
P6619
P7513
P3445
P7836
P5150
P8869
P7236
Restraint 57
P7
P3422
P7846
P8348
P5770
P3138
P8035
P1916
P1726
P3921
P3222
P3991
Atom H of residue 36
P4536
P2923
Atom CA of residue 7
P10822
ListSingletonContainer67
P11959
P5567
P1776
P3300
P6285
Atom CG of residue 15
P6643
P3457
P8246
P1571
P8389
P4560
Atom CG of residue 6
P0
P7146
Atom HG22 of residue 36
P2993
P1976
P1433
P4363
P7076
Atom CG of residue 49
P3999
P3289
P1661
P5737
P1847
P4571
P5001
P5358
P12868
P5760
P5311
P5159
P2549
P6194
Atom OD2 of residue 39
P9629
P4231
P8480
P7298
P7360
P7514
Atom HD12 of residue 36
P6654
P1287
P5066
P7847
P1848
P7813
P6418
P4994
P7297
P7153
P3002
Atom N of residue 52
P3801
P4030
Atom O of residue 26
P183
P1614
P3170
P3922
P8247
P85
P3446
P3186
P2395
P7837
P8036
P2019
P8870
P5774
Atom CE of residue 27
P3423
P2538
P3
P3139
P3301
P1377
P4561
P11960
P1727
P6620
P5151
P3992
Atom HA of residue 36
P4537
P2924
P6644
Atom HG23 of residue 36
P7237
P1434
P5568
P1777
P4000
P1572
P1917
P6286
P8349
P3223
Covariance1DFunction 87
Atom HG22 of residue 30
P7147
P2994
P4364
P184
P1849
P1662
P10823
P1377
P5771
P5761
P3290
P5738
P7361
P3458
P5002
P1977
P5359
P53
P7077
P12869
P5312
P5160
P6195
P4232
ASP
P1
P7814
P8390
P9630
P2580
Atom C of residue 71
P4572
P5067
P7299
P6419
P3187
P4995
P7298
P2456
P3003
P1619
P7515
P7154
P4031
Atom NZ of residue 27
P3171
P3923
Atom HB of residue 36
P1435
P6655
P8481
Atom CB of residue 26
P7848
Atom CD of residue 49
P1848
P3447
Atom HA of residue 41
P5772
P8037
P2020
P8871
Atom C of residue 39
Atom HD13 of residue 69
Atom CA of residue 70
P1731
P1851
Atom HD11 of residue 36
P1378
P3140
P3302
P4562
P3802
P1379
P4365
P0
P8350
P5152
P3224
P3424
P2539
P2925
P1773
P4001
P6621
P7238
P6287
P3459
P3993
P11961
P12870
P2995
P1573
P1918
P52
P7078
P5569
P5064
P6645
P1663
P8391
P10824
P5762
P3291
P7148
P2581
P4573
P1436
P5360
P5313
P5161
P6196
P6656
P7300
P5003
P1978
P1623
P9631
Atom HG12 of residue 36
P8482
P4538
P5739
P7362
P6420
Atom HG2 of residue 41
P3188
P4996
P2392
P4233
P3004
P185
P1399
Atom HD21 of residue 69
Atom C of residue 70
P1732
P3172
P7815
P1380
P7155
P7516
P3448
P4366
P5776
P4032
P8038
P8872
P7299
P3425
P7849
P3924
P4002
P11962
P171
P3141
Atom HD21 of residue 60
P7838
P3303
P5004
P1359
P3803
P6646
P2021
P5153
P3225
P1437
P2926
P1849
P6622
P5570
P4563
P6288
P5065
GeneralizedGuinierPorodFunction 54
P3994
P7239
GaussianProcessInterpolationRestraint 39
P2540
P12871
P7149
P2996
P1338
P1316
P2550
P8351
Atom O of residue 39
Atom HG21 of residue 7
P3460
Atom CG of residue 71
P5361
P5314
P5162
P4574
P6197
P7816
P1919
P10825
P1390
P5773
Atom HA of residue 5
P5763
P7079
P3292
P48
P4540
P5740
P1401
P1360
P8392
P1979
P9632
P6421
P3189
P2393
P4234
P6657
P3005
P7363
Atom O of residue 1
P7517
P1664
P3173
P7301
P4997
P7850
Atom HD22 of residue 60
P7156
P4033
P4985
P4003
P8873
P1573
P7300
P8483
P3925
P4869
ARG
P3142
P3304
P5005
P3449
Atom HG3 of residue 41
P4367
Atom HD23 of residue 69
P186
P6623
P5154
P3226
P3426
P2927
P7839
P8039
P1407
P7240
P1391
P11963
P5571
P8352
P4564
P6289
P5764
P6647
P2022
P1350
P1850
Atom CD1 of residue 71
Atom CB of residue 39
P3995
P7080
P3804
P1730
P1618
Atom HG13 of residue 36
P1574
P10826
P3461
P5362
P2541
P12872
Atom CE of residue 33
P1783
P5315
P5163
P7302
P2997
P6198
P8393
P4235
P7150
Atom CA of residue 13
P3293
P7840
Atom HD23 of residue 69
P1920
P1392
P2551
Atom HG3 of residue 42
P7817
P1980
P6422
P3190
P4998
P4541
P3006
P1352
P9633
P8484
P1852
P3174
P3926
P5741
P7364
P4870
P6658
P1395
P4576
P3450
P1575
P4368
Atom N of residue 70
P4986
P4004
P8874
P5775
P7157
Atom N of residue 61
P7518
Atom C of residue 43
P1665
P3305
P5006
P4565
P7301
P7851
P7841
Atom CD2 of residue 71
P6624
P5155
P3227
P3427
ListSingletonContainer550
P2928
P8040
Atom HG3 of residue 19
Atom HE21 of residue 41
P3143
P6290
P187
P1784
P1851
P11964
P4034
Atom HH21 of residue 42
P2998
Atom HD11 of residue 44
P3805
P5572
P2544
P6648
P7241
P5765
Atom HD23 of residue 8
P3294
P2023
P3462
P3996
P5363
P7081
P12873
P5828
P5164
P2552
P8353
P6199
Atom HG21 of residue 36
P4236
Atom HB3 of residue 60
Atom NZ of residue 33
P7151
P1670
ListSingletonContainer72
P7303
P5742
P1396
P7519
P1981
P6423
P3191
P4999
P6659
P172
P3007
P4005
P7852
P3175
P3927
Atom H of residue 71
P7818
P8394
P9634
P1921
P2542
P1853
P7842
P7365
P4577
P3451
Atom HD3 of residue 29
P8875
P7302
P3428
P1
Atom HE22 of residue 41
P10827
P7158
P1307
P2335
P4938
P3306
P5007
P1568
P4566
P4369
P8485
P5156
P3228
P4854
P1367
P2929
P11965
P5573
P4542
P3144
P6625
P3809
P6291
P6649
P8041
Atom HD2 of residue 19
P3997
Atom HH22 of residue 42
P1397
P2999
P7242
P188
P3295
P3463
P10828
P12874
P5853
P5165
P2553
P6200
P4035
P5766
Atom OD1 of residue 65
Atom CG2 of residue 14
P5777
P7082
P2024
Atom N of residue 10
P8395
P2338
P1778
P7152
P7819
P6424
P3192
P4237
P3008
Model 5
Atom O of residue 61
P4006
P1370
P3176
P3928
P7304
P1404
P5364
P1850
P1672
P7520
P4578
P9635
Atom HG22 of residue 36
P1569
Atom CE of residue 11
P8486
P5743
P7366
P1852
P6626
P8876
P1922
P3429
P6660
P7853
Atom O of residue 71
P1982
Atom HA of residue 42
P2543
P4543
P4939
P3145
P7843
P3307
P3452
P4567
P4370
P5000
P7159
P5157
P3229
Atom HD3 of residue 19
P3998
P4855
P3811
P2341
P2930
P8042
P8365
P5008
P7303
P5574
ListSingletonContainer551
ListSingletonContainer58
P6292
Atom HG22 of residue 44
P3000
P11966
P5767
P1371
P3296
Atom HG22 of residue 7
Atom HG21 of residue 3
Atom CA of residue 10
Atom CZ of residue 42
P10830
P7083
P12875
P189
PRO
P6650
P5166
P2554
P6201
P7243
P4036
Atom OE2 of residue 24
P1409
Atom HD22 of residue 71
Atom ND2 of residue 65
P5778
UnaryFunction26
P5744
P3464
P5365
P6661
P7305
P8366
Atom CA of residue 72
Atom HG23 of residue 36
P1578
P6425
Atom HE2 of residue 29
P3193
P3009
P7153
P1669
P4238
P4544
P1871
P3177
P3929
P2025
P5854
P3453
P54
P4371
P4007
P8877
P7820
P8396
P9636
P5001
P3430
P7367
Atom HG1 of residue 12
P7521
P1983
P174
P4940
P3146
Atom HD2 of residue 42
P3308
P4579
P5009
P4568
P7854
Atom HZ1 of residue 33
Atom HA of residue 71
P6627
P5158
P3230
P4856
ILE
P7160
P11967
P2931
P7844
P1612
P5575
P8487
P6651
P1410
P1923
P6293
P7304
P1364
P3999
P1853
P2288
P8043
P7244
P3297
P3465
P8354
P10831
P12876
P5167
P2563
P3001
P6202
Atom HD11 of residue 36
P6426
Atom N of residue 20
P5779
P1766
P5829
P7821
P5366
P4037
P5768
P84
P3194
P7084
P3010
Atom HD12 of residue 30
P4008
P8397
P7154
P1872
P0
P3178
P5745
P6662
P190
P7522
P4580
P4372
P4545
P2026
P7306
P1402
Atom HB2 of residue 71
P8878
P1613
P5002
P4239
P7855
P3930
P9637
P8488
P4941
P3147
P2555
P7845
P7368
P3309
P5010
P3454
P4569
P2545
P8044
Atom HZ2 of residue 33
P5159
P3231
P4000
ARG
P4857
P3431
P2932
Atom C of residue 37
P7161
P5576
P6628
P6294
Atom H of residue 64
P3466
P1984
P7305
P11968
P3002
P2289
P5769
P6652
SER
P7085
P173
P3298
P1854
P2546
Atom HG21 of residue 23
P1924
P12877
P5168
P6203
P6427
SingletonScore 18
P1403
P10829
P5830
P7307
P7245
P3195
Atom CB of residue 8
P1767
P3011
Atom C of residue 30
P4038
P3179
P3931
Atom HA of residue 12
P7822
P1576
P5367
P7155
P4581
ListSingletonContainer74
P4009
P5746
P8879
Atom CA of residue 43
P5003
P4240
P6663
Atom O of residue 8
P4546
P4942
P3148
Model 162
P191
Atom CA of residue 37
P1854
P2556
P1408
P3310
P5011
P8398
P3455
P9638
P4373
Atom HA of residue 64
P2027
P7369
P6629
P7523
P5160
P3232
P4858
P5780
P3432
P2933
P5577
P7856
Atom HD13 of residue 50
P4570
P6295
P7162
P7846
P8045
P3467
P1985
Atom NH1 of residue 42
P8216
P3003
Atom HB3 of residue 71
P7306
P11969
P3299
P4001
P7246
P1577
P12878
P6653
P5169
P6204
Atom HE21 of residue 41
P6428
P1855
Atom HG of residue 65
P1925
P10832
P7086
P1758
Atom C of residue 6
P5831
Atom CA of residue 20
Atom C of residue 37
P175
P2290
P3196
P5781
P3012
P5004
P4241
P7308
P5747
P7524
P5368
Atom CB of residue 51
P6664
P4547
P4582
P8399
P3456
P4374
P4039
P5770
P7857
P1800
P7156
P4010
P8880
P7823
P3433
P3180
P7847
P4943
P3149
P2557
Atom HG of residue 71
Atom HB3 of residue 6
P3311
P4571
P1855
P5161
P3233
P9639
P4859
Atom CB of residue 59
P2934
Atom O of residue 52
P3932
P7370
Model 91
P5578
Atom HB2 of residue 64
P192
Atom HD21 of residue 50
P1307
P6296
P2252
P2028
Atom O of residue 8
P5012
P2198
P7163
P11970
P3004
P6630
P65
P6654
P5120
P8046
THR
P7307
P3300
P10833
P12879
P5170
P8217
P6205
P6429
P4549
Atom CG of residue 62
Atom C of residue 25
P1856
P2616
P1986
P1926
P1759
P5832
P3468
Atom C of residue 20
P176
Atom HB2 of residue 50
P3197
Atom CG of residue 51
P5782
P7087
P4242
P3013
P4011
P4002
P7247
Atom OG1 of residue 47
P2291
P1453
P5369
P67
P5774
P4583
P3457
P4040
P7309
Atom HD13 of residue 36
P3434
P7157
P3181
P7525
Atom HB3 of residue 72
P4944
P3150
P2558
P2253
P5748
P6631
P3312
P4572
P4375
P5005
P6665
P7858
P1856
Atom O of residue 68
P5162
P3234
P4860
P2935
Atom CB of residue 52
P7848
P3933
P1378
P7824
P8400
P9640
P5124
P1375
P6297
Atom CG of residue 59
P193
P8047
P5013
P8881
P1455
P64
P5771
Atom HB3 of residue 64
P298
P3005
P7164
P5579
P4548
P2029
P3301
P3469
P2649
ASP
P7308
P12880
P5171
Atom HD11 of residue 71
P6206
P6430
P11971
P4243
P7371
Atom C of residue 77
P1987
P4003
P7088
P6655
P5833
Atom O of residue 20
DihedralSingletonScore7
P1857
P1927
P10834
P3198
P5783
P3014
P4012
P5749
Atom N of residue 37
P1504
P5006
P2292
P5772
Atom HB3 of residue 50
P3182
P7310
P1379
Atom CG of residue 68
P5370
P4945
P4584
P3458
P1376
P4376
Atom CD of residue 51
P4041
ListSingletonContainer552
Atom H of residue 15
Atom NE2 of residue 62
P7248
P3934
P8401
P1760
P3156
P7158
P2559
P8218
P3313
P7825
P4573
Atom CA of residue 37
Atom HG2 of residue 72
P1795
P7526
P5163
P3235
P8882
P4861
P6666
P2936
Atom HB2 of residue 16
Atom C of residue 32
P5580
P7859
P1857
P6632
P9641
P6298
P11972
P7849
P7372
Atom CG of residue 73
P6656
P3006
P3470
Atom HD12 of residue 71
P2194
P5014
P10835
P7165
P3302
P1380
Atom CB of residue 20
P51
P12881
P5096
P5172
P299
P8048
P6207
P6431
Atom N of residue 66
P7309
P2030
PRO
P3435
Atom CD1 of residue 59
P194
P5834
P2195
Atom HG3 of residue 72
P2580
P1931
P3199
P5784
P3015
Atom HD13 of residue 3
P4013
P4004
P5007
P5776
P3183
P3935
P1858
P5371
Atom CA of residue 19
P7089
P4946
P3332
P8219
P4585
P3459
P1988
P7249
P1312
P4244
ListSingletonContainer553
Atom C of residue 52
P5750
Atom ND1 of residue 68
P1448
P4550
P7527
Atom OE1 of residue 51
P1365
Atom N of residue 63
P1796
P2560
P7311
P3314
P7826
P4574
P4377
P2293
P7860
P7159
P5164
P3236
P8883
GaussianProcessInterpolationRestraint 27
P4862
Atom CD1 of residue 73
P6667
P2937
P7850
P5581
P4042
P8049
Atom HG21 of residue 5
P6299
P1761
P7373
P5015
P8402
P9642
P1858
P3007
P3471
P6633
P11973
P3436
P5773
P3303
P300
P2195
PRO
P12882
P1367
P6657
P5097
P5173
P6208
P6432
Atom H of residue 62
P1373
P2581
P4005
P1963
P10836
P7310
P5835
P178
P1313
ListSingletonContainer77
P3200
P3016
P2196
P4014
P7312
P5008
P4551
P195
P3184
P3936
Atom HD13 of residue 71
Atom CA of residue 37
P5372
P5785
P7166
P8220
P4586
P7090
P2031
P1859
P1340
Atom N of residue 11
Atom CA of residue 58
P1989
P4947
Atom HG3 of residue 62
P1797
P5751
P3315
P7250
P1449
P4378
P6668
P5165
P3237
Atom OG of residue 20
P8403
P4863
P1368
P3154
P2938
Atom CD1 of residue 8
P7160
P7827
P4006
Atom HD13 of residue 15
P5582
P4043
P4245
P177
P2294
Model 202
P2561
P1449
P6634
P7528
P3460
P4575
P6300
Atom CD2 of residue 73
Atom N of residue 59
P8884
P7861
P3008
P9643
P1314
P1762
Atom HA of residue 62
P7851
P8050
P7374
P3437
P3304
P1859
P12883
P5098
P5174
P5016
P6209
P6433
P7167
P11974
P4552
P2582
P2196
Atom HG12 of residue 36
P6658
P5836
P301
Atom C of residue 10
Atom HD21 of residue 71
Atom O of residue 37
P7311
P1456
P10837
P3201
Atom HG1 of residue 7
P5786
P3017
P7828
P5009
P3185
P3937
P5377
P1315
ScoreState 39
P5775
P2197
P7375
P1454
P4587
P4379
P4015
P7313
P5752
P7529
P95
Atom O of residue 19
P7091
P196
P3472
P7251
P4246
P4948
P7862
P8221
P1860
P3316
P3461
P1929
P6669
Atom CG2 of residue 12
P7852
P2032
Atom O of residue 58
P5166
P3238
P1990
P4864
P1363
P3155
P4007
Atom HD21 of residue 15
P1505
P5583
P2295
P7161
P2562
P4576
P6301
P3438
P8885
P2200
Atom C of residue 37
P1357
P2939
P1455
P3009
Atom N of residue 68
Atom O of residue 43
Atom H of residue 73
P8404
P9644
P11975
P3305
P1798
P6635
P4044
P1763
P12884
Atom HE22 of residue 62
P6659
P5099
P5175
P8051
P6210
P7168
P4553
P1860
P2583
P5017
Atom H of residue 20
P10838
P1364
P5837
P6434
P3202
P5787
P7312
P3018
P4016
Atom HG13 of residue 36
P7829
MET
P302
P3186
P3473
Atom O of residue 6
P1506
P5431
P4247
P2198
P7376
P4588
P4380
P5010
Atom O of residue 23
Atom HG2 of residue 1
Atom CB of residue 58
P1367
Atom CB of residue 19
P3439
P3938
P7092
P4949
P197
P2579
P8222
P7314
P1861
P3317
P3462
P4577
P2033
P7530
P5167
P3239
P4865
P2940
P1802
P5753
P6636
P2205
P4008
P7252
P96
Atom CD of residue 64
P5584
P6670
P7863
P8405
P1991
P6302
P1769
P7162
P7853
P8886
P1447
P3010
Atom HD13 of residue 13
Atom HB of residue 12
P8052
P1340
Atom HA of residue 20
P3306
P12885
P5777
P5100
P5176
P6211
P6435
P4248
P4554
P1861
Atom HG23 of residue 36
P1368
P2296
LYS
P1803
P5838
P5018
P7169
P11976
Atom C of residue 60
Atom CB of residue 23
Atom HB3 of residue 42
GaussianProcessInterpolation71
P3203
P5788
P4045
P3019
P6660
P2584
P7830
Atom HG3 of residue 37
Atom O of residue 97
P5011
P7313
Atom O of residue 7
P3187
P1450
P3474
P9645
P1454
P10839
ListSingletonContainer510
P5754
P7377
P4589
P6671
P4017
P7315
Atom C of residue 58
P5375
P3440
P3939
P4950
P8223
P1862
P3318
P3463
P4578
Atom HB2 of residue 58
P4381
Atom HG12 of residue 5
P5168
P3240
P7253
P4866
P7170
P2034
Atom OE1 of residue 64
P7531
Atom HB2 of residue 20
P6303
P2613
P2199
P1448
P8887
P7864
P2941
P7163
P3011
P6637
P1992
P4009
P11977
P5585
P1771
P198
P7854
P1355
P7093
P8240
P3307
P6661
P12886
P5778
P5101
P5177
P6212
P9646
P6436
P10840
P4249
P4555
P1862
P303
P2585
P5839
P3475
Atom HD23 of residue 71
P4803
P5376
P92
Atom CG1 of residue 23
Atom CG of residue 18
P5019
P2199
P103
P3204
P3020
P7831
Atom N of residue 59
P5012
P3188
P3940
P7314
P2297
P7378
P4590
Atom CB of residue 97
P4018
P1392
P5789
P4046
P3441
P8053
Atom HD12 of residue 56
P4951
P8224
P5755
P1375
P3319
P4382
P6672
P7532
P5169
P3241
P4867
Atom OE2 of residue 64
P7094
P7171
P2942
Atom HD11 of residue 36
P304
P7316
P4010
P1356
ListSingletonContainer82
P5586
P7865
P3464
P4579
P6304
Atom HG3 of residue 33
P1801
P7855
P8888
P7254
P12887
P2035
P3012
P1863
Atom HD3 of residue 37
P7164
P4
P8241
P3308
P2614
P8054
P6638
P4804
P5779
P5102
P5178
Atom OE1 of residue 18
P2200
P3476
P6213
P9647
P6437
P11978
P199
Atom N of residue 12
P2586
Atom O of residue 72
Atom HB3 of residue 20
P1993
P6149
TYR
P6662
P5840
P1366
Atom CG2 of residue 23
P1376
P10841
P3205
P4250
Atom HA2 of residue 10
P4556
P3021
Atom N of residue 72
P5020
P5013
P1768
P3189
P3941
Linear1DFunction 1
Atom HD13 of residue 56
P1863
P7317
P1394
P4591
P7832
P7315
Atom C of residue 37
P4019
P5790
P2298
P7379
P4952
P8225
P3320
P3465
P4580
P4383
Atom HD2 of residue 33
P4047
P5170
P3242
Model 242
P7095
P7172
P3442
P91
P2943
P2564
P5756
Covariance1DFunction 55
P4011
P6673
P7255
P6305
P8889
P4805
P4934
P8236
P12888
P305
P3013
P1864
P6639
P7533
P5587
Atom HD13 of residue 36
ListSingletonContainer79
Atom CA of residue 59
P7866
P3309
P7165
P8056
Atom OE2 of residue 18
Atom O of residue 37
P5103
P5179
P7856
P2036
Atom HG3 of residue 18
P3477
P6214
P6438
P4557
ARG
Atom O of residue 65
P5841
P2201
Atom H of residue 28
P9648
Atom H of residue 64
P11979
P3206
P4251
P3022
P200
P6663
P2587
P7833
P3190
P5021
Atom CA of residue 57
P1994
P6505
P10842
P1864
P7380
P4592
P3466
Atom HB3 of residue 58
Atom HD3 of residue 33
Atom O of residue 64
Atom HG22 of residue 36
P4020
P7316
P3443
P3942
P5014
P4953
P5780
P8226
P7318
P5757
P1381
P7534
P3321
Atom HG of residue 20
P4581
P4384
P5791
P6674
P2299
P5171
P9649
P7173
P7867
P2944
P2565
P4012
Atom HG2 of residue 34
P4935
P4048
P7857
P6306
P7096
P3243
P8890
Atom CA of residue 19
P3014
P3478
P5588
P7262
P3310
Atom OG of residue 65
P8057
P4821
P12889
P5104
P5180
P306
P6215
Atom HD11 of residue 56
P6439
Atom CD1 of residue 8
P11980
P4252
P4558
P2588
P6640
Atom CG of residue 64
P5781
P6664
P5842
Atom HZ1 of residue 29
P2202
Atom HA of residue 28
P1865
P6506
P2037
Atom CA of residue 72
P10843
P3207
P7097
P3023
P4021
P7834
P201
P3191
Atom H of residue 70
ListSingletonContainer511
P7166
P7381
P4593
P5022
P3467
P91
P4385
P1995
P1346
P5792
P3444
P3943
P1382
P5015
P7317
P4954
P8227
P3322
P2300
THR
P5172
P3244
P9650
Atom N of residue 15
P2945
P1530
P1865
P2566
P7319
Atom N of residue 21
Atom HG3 of residue 34
P7535
P4937
P6307
P7174
P5758
P6641
P8891
Atom HD21 of residue 56
P4049
P6675
P7868
P3015
P3479
P4013
P7256
Atom HD22 of residue 8
P5589
P7858
P4822
P3311
Atom HZ2 of residue 29
P1343
P12890
P5105
P5181
P6216
P6440
P4559
Atom H of residue 65
P7167
P8055
P2589
P6150
P5782
P5843
P1866
Atom HA of residue 70
P94
Atom HB2 of residue 33
Atom NE of residue 72
GaussianProcessInterpolation39
P4582
P3208
P7098
Atom CA of residue 15
P4253
Atom CD of residue 64
P3024
P7835
P11981
P3192
P3944
P1383
P6665
P2203
P7382
P4594
Atom HA of residue 8
P4022
P5023
P1996
P1333
P10844
P3445
P2038
P6676
P4955
P8228
P7320
Atom O of residue 46
P3323
P4984
P78
Atom HG3 of residue 11
P4386
P7318
P1531
P5173
P3245
Atom N of residue 20
P9651
P5016
P7175
P2946
P202
P1866
P2
P2567
P4014
P5793
Atom HB2 of residue 25
P7257
P6308
P157
P307
P8895
Atom O of residue 55
P2301
P5759
P3016
P7536
P5590
Atom HB3 of residue 37
P4836
P1335
P1330
P4050
P7869
P3312
P1384
P6642
P11982
P12891
P5182
P7859
P3480
P6217
P3468
P6441
P4583
P1320
P4254
Atom OE2 of residue 64
Atom CB of residue 65
P7168
P8058
P2590
ASP
P5783
P5844
P10845
P2547
Atom HZ1 of residue 6
Atom CZ of residue 72
Atom HB2 of residue 8
P3209
P7099
P4560
P3025
P1
P4023
GLU
Atom CB of residue 46
P3193
P2204
P5106
P308
P6372
P6151
P1334
Atom HD2 of residue 11
P5794
P6666
P1867
P8892
P3446
P3945
P5024
Atom CD of residue 1
P7836
P5017
P4956
Restraint 20
Atom HB3 of residue 33
P8229
P3324
Atom HB3 of residue 25
P1997
P1340
P4388
Atom HB of residue 70
P7383
P1385
P5174
P3246
P9652
P7319
P7176
P93
Atom CB of residue 64
P2947
P1526
P2568
P5591
P6677
P7537
Atom OD2 of residue 32
P6309
P2302
P7321
P7870
Atom NZ of residue 6
P2039
P5760
P3017
P3481
P3469
P4015
P7860
Atom CB of residue 55
P3313
P1867
P8059
P7258
ListSingletonContainer313
P12892
P5183
Atom CG of residue 72
P6218
P4806
P1342
P6442
P4936
P4387
P2592
P6643
P5784
P5845
Atom CB of residue 17
P4584
LEU
P7169
P5107
P6373
Atom HD23 of residue 56
Atom H of residue 1
P3210
P7100
P4255
P4561
P3026
P203
P4024
P1386
P8893
Atom CA of residue 26
P6152
P3194
Atom CA of residue 21
Atom HB3 of residue 8
P10846
Atom HG11 of residue 70
P6667
P2205
P3447
P3946
P7322
P7837
P1344
P11983
P4957
P309
Atom HZ of residue 4
P8230
P1868
P2591
P3325
P5025
Atom H of residue 32
P5795
Atom C of residue 1
P7384
P5175
P7177
P2948
P7170
P2569
P1998
P4016
P7320
P5592
P160
Atom HA of residue 46
P9653
ListSingletonContainer118
P6310
P5018
P2040
P5761
P3247
P6678
P3018
P3470
P2303
Atom HG23 of residue 9
1G6J_MODEL1.pdb
P1387
Atom C of residue 21
Atom CA of residue 5
Atom CA of residue 55
P3314
P6644
P7538
P1345
P7259
P12893
P5184
P3482
P6219
Atom CZ of residue 5
P4807
P6443
Atom CA of residue 57
P4256
P1313
P4562
P7871
P1868
P5846
P7861
Atom CD of residue 72
Atom HA of residue 28
P5108
P8060
P3211
P5785
P3027
P1527
P8894
P6153
P4585
P11984
Atom HB3 of residue 38
P3195
P173
P7101
ListSingletonContainer512
Atom HG of residue 8
P6668
Atom CD1 of residue 45
Atom HB2 of residue 32
Atom C of residue 67
Atom CZ of residue 125
P10847
P3448
Atom N of residue 36
P3947
Atom C of residue 1
P4958
P2206
P8231
P1388
P4872
Atom H of residue 51
Atom C of residue 44
P4025
P5176
P3248
P5026
Atom C of residue 14
P9654
P2949
P7171
P2570
P7323
P7539
P3471
P4017
P1338
P5796
P5593
P6679
P8497
Atom CA of residue 10
P310
P2041
P7385
P3326
P4389
P6311
P7321
Atom C of residue 55
P5762
P1869
P1999
P5019
P7862
P3019
P3483
P4586
P7178
P4052
P8061
P3315
P1685
P12894
P2304
P5185
Atom HZ1 of residue 29
P6220
Atom O of residue 21
P6444
P4257
P96
P4563
P2593
P7260
Atom HG13 of residue 44
P5786
P7872
P5847
Atom HG2 of residue 38
P6196
P2047
GaussianProcessInterpolationRestraint 7
P159
Atom CD2 of residue 45
P1397
P6645
P3212
P7102
P3028
P6154
Atom HB1 of residue 28
P11985
Atom HA of residue 51
P1869
P3196
P4808
P10848
P1528
P6669
P5109
P3472
P4029
P8897
P3948
P1872
THR
P1339
P8498
Atom HA of residue 22
P4959
Atom O of residue 67
P2207
P4873
P5797
Atom O of residue 44
ILE
P7386
P5177
P3249
P7838
P9655
P3449
P2950
P237
P7172
P2571
Atom C of residue 72
P5027
Atom NH1 of residue 125
P4018
P5594
P3327
P4587
P6312
P7324
P7322
Atom HA2 of residue 76
P3020
P1406
P7540
P4390
P5020
P1686
P7179
P4026
P2042
P5763
P6646
P2000
Atom HG21 of residue 44
P6680
P3316
P7261
P12895
P2305
P5186
P7863
P3484
P6221
Atom CB of residue 21
P6445
P4258
P8062
P2594
Atom N of residue 29
P5787
P7873
P5848
P6197
P4809
LEU
P1331
P3213
P7103
Atom OE2 of residue 51
P4
P4564
Atom CB of residue 67
P3029
Atom HG3 of residue 38
P6155
P3197
P1532
P5110
Atom HZ2 of residue 29
P3473
P11986
P1870
P8898
P174
P3450
P6670
P355
P3949
Atom CG of residue 45
P1873
P1407
P95
Atom CA of residue 16
P4960
P2208
P3328
P4588
P4874
P10849
P5764
P5178
P3250
Atom CE of residue 1
P9656
P6681
P2951
Model 6
P7173
P2572
P7325
Atom O of residue 72
P4019
P1332
P4391
P5595
ILE
P4027
P5028
P7839
Atom HG22 of residue 44
P6313
P5798
P8499
Atom CA of residue 36
P7387
P3021
Atom OD1 of residue 21
P0
Atom N of residue 3
P1687
P7323
ListSingletonContainer314
P2043
Atom C of residue 120
P2001
P5021
P3317
P7541
P7180
P11987
P12896
P3
P2306
P5187
P3485
P6222
Atom HB3 of residue 45
P6446
P4259
P4565
P7874
P235
P6647
P5788
P5849
P7864
P6198
P4810
P6671
P8063
P1904
P7840
P7263
P7104
P3030
P6156
P10850
Atom HA3 of residue 76
P1533
P3198
P1395
GLN
P175
Atom HE22 of residue 49
P5111
Atom HD2 of residue 38
P2595
P3474
P4392
P3214
P8899
P3451
P1874
P356
P3950
P5799
P4961
P3329
P4589
Atom HG23 of residue 44
P4875
P5179
P3251
P8500
P2952
P2573
P7841
P4020
P162
P4028
P6314
Atom HB2 of residue 60
P7174
P5765
P1398
P5029
P6682
P2209
P3022
P3486
P7542
P9657
P7181
P5596
P7326
Atom CD of residue 6
P7388
GLN
P2002
P2139
P7324
P3318
P5022
P11988
P12901
P5188
P7865
Atom CB of residue 72
P6223
Atom O of residue 120
P6447
P4260
P4566
P7875
P238
P8064
P2044
Atom HE1 of residue 59
P5850
P6199
Atom HD1 of residue 45
P4811
Atom CB of residue 40
P0
P6648
Atom HA of residue 21
Atom HA of residue 62
P3031
P1875
Atom CB of residue 34
P1396
P6157
P2307
P3199
P1688
Atom CB of residue 37
P5789
P6672
P5112
P2596
Atom HD11 of residue 44
PRO
P4393
P3215
Atom CB of residue 15
Atom HA of residue 30
P8900
P7842
P10851
P7105
P3452
ListSingletonContainer526
Atom HA of residue 18
P360
P3951
P4962
P1534
P1703
P3330
P3475
P7264
P4590
P4876
P7327
P5180
P3252
ScoreState 7
P1454
P12897
P1345
P2953
P7175
P2574
P5800
P5597
P6315
P2210
P3023
P5030
P6224
P4021
P9658
P5766
P6683
P8501
P3319
P7389
P7325
P11989
P5189
P2
P6448
P5023
P4261
P3487
P6649
P7543
Atom HE2 of residue 59
Atom OD2 of residue 18
P7182
P5851
P6200
P4820
P1689
P161
P7876
P2003
P3216
P4567
P3032
P239
P7866
P2045
Atom HD2 of residue 45
P6158
Atom HB3 of residue 60
P2308
P1708
P3200
P8065
P7265
P5790
P5113
P2597
P3476
P4394
P4030
P8901
Atom HA of residue 40
P7106
Atom CG of residue 37
P12898
LEU
Atom HB2 of residue 62
P6673
P2
P3952
Atom HB of residue 12
Atom C of residue 49
Atom N of residue 10
P4963
P3
P3331
P4591
P4877
P10852
P177
P5181
P3253
P7843
P3453
P2954
P7176
P362
P2575
P4812
P4022
P5598
P1457
P6316
P8502
P7328
P5767
P7544
P6684
P3024
P6225
ListSingletonContainer525
ARG
P7877
P1873
P5031
Atom H of residue 76
P1326
P3320
Atom CB of residue 56
P7867
Atom HB3 of residue 21
P9659
P11990
P5190
P2211
P8066
P7390
Atom HG22 of residue 55
P6449
P178
P7326
P4262
P4568
P3488
P5024
P5852
P6201
P1322
Atom C of residue 38
P5801
P2008
P3217
P3033
Atom O of residue 49
P6159
Atom CA of residue 50
P3201
P6650
PHE
P6674
P5114
P2598
P3337
P3477
P1690
P240
P4031
P2046
P1334
Atom CB of residue 64
P8902
P10853
P3454
Atom HA of residue 60
P12899
Atom HG3 of residue 62
P5791
P1709
P3953
Atom HG23 of residue 55
P7183
P4964
P4592
P4878
P4395
P7107
P122
P2309
P5182
P3254
P2955
P7177
P3
Atom HB3 of residue 16
P2576
Atom CD1 of residue 3
P4813
P4023
P7266
ListSingletonContainer119
P5599
Atom N of residue 68
P357
P7391
Atom N of residue 22
P7844
P6317
P3025
P9660
P5802
ListSingletonContainer315
P7329
P1336
P3321
P5856
Atom CB of residue 49
P7545
P5032
P2044
P5191
Atom CD1 of residue 45
P5768
P3489
P6651
P6226
P6450
P4263
P6685
P8503
P7878
Atom CG of residue 56
P1691
P7327
P11991
P7868
P6202
P5025
P8067
P3218
P7184
P4569
P6160
Atom O of residue 38
P3202
P2212
Multivariate Normal distribution 7
P5792
P5115
P4
Atom CD of residue 19
P2599
P3338
P4396
HIS
P3034
Atom HD11 of residue 15
P4032
Atom HD12 of residue 61
P8903
P7267
Atom HD13 of residue 44
P7108
P12994
P1704
P3954
P4965
P3478
P4593
P4879
P6318
P164
P2310
Atom HE21 of residue 62
P6675
P2047
Atom N of residue 56
P5183
P3255
P7845
Atom CD of residue 29
P3455
P97
P2956
P2577
P4814
P4024
P10854
P5600
P209
P5769
ListSingletonContainer75
P6686
Atom C of residue 69
P7330
Atom C of residue 14
Atom CD2 of residue 45
P358
P3026
P3490
Atom CB of residue 47
P1458
P8504
P7178
P7392
Atom OD2 of residue 21
P5803
P3322
P11992
P5192
P5033
P6227
P6451
P4264
P4570
P7546
P9661
P5857
P6203
P7328
P7879
P210
P6652
P3219
P5026
P1692
P7185
P3035
Atom CD1 of residue 56
P7869
P4033
Atom HG23 of residue 61
P6161
Model 163
P6676
P3203
P8068
P2007
P5116
P2600
P3479
P10855
P4397
P2213
LEU
P8904
P3456
P1381
P3955
Atom HA of residue 19
P3336
Atom O of residue 69
P4966
P4594
P4880
P6319
P5793
P1705
P5184
P3256
Atom N of residue 45
Atom CE of residue 29
P12995
P2957
P2578
P4815
P7109
P5601
Atom HE2 of residue 4
Atom CG of residue 49
P2048
P7268
P3027
P3491
P7846
P4025
P1459
P2311
P7179
ILE
P5804
P6687
P3323
P359
P7547
P11993
P5193
P7331
P7393
P6228
P6452
P163
P4265
P7880
P211
P5034
P7870
Atom HD11 of residue 61
P6204
P8069
P3220
P7329
Atom HD23 of residue 67
P5855
P4034
P5770
P6162
P5027
ListSingletonContainer514
P5794
Atom CE1 of residue 45
P3204
P6653
P7186
Atom CD2 of residue 56
P5123
P2601
Atom H of residue 21
P3480
Restraint 58
P3036
P2214
P8905
P3243
Atom HD23 of residue 15
P6677
P3956
P9662
Atom H of residue 6
P4967
P7847
P7269
P4881
P10856
P4398
P12903
P1706
Atom CG of residue 56
P5185
P3257
P3457
P2110
P2958
P4097
P4816
P4571
P7332
P56
P6320
P7110
Atom CB of residue 69
P7187
P3028
Atom ND2 of residue 59
P4026
P5602
P7394
P3324
P11994
P2312
P7180
P5117
P5194
P6229
P5805
P4266
P6688
P2177
PHE
P100
P6205
P5035
Atom CA of residue 30
Atom N of residue 16
P1375
P5337
P5774
P6654
P7548
P9663
P6453
P3221
Atom HB3 of residue 1
P3037
Atom HB2 of residue 32
P4035
P6163
Atom HG of residue 73
P7330
P7881
P3205
Atom CD1 of residue 56
Atom CD of residue 49
Multivariate Normal distribution 26
P5028
P7871
P2602
Atom HB2 of residue 21
P3481
P1707
P8070
P8906
P5795
Atom HD11 of residue 3
P3957
P4098
P3492
Atom HB3 of residue 33
P4968
P363
P4882
P4399
P12904
P6678
Atom HB3 of residue 15
P5186
P3258
P3244
P3458
P2959
P5771
P4817
P4027
P10857
P5603
P2215
P7848
P6321
P5806
ListSingletonContainer316
P7111
P7188
P1393
P212
P5118
P3029
ILE
Atom CG of residue 69
P4572
P7181
P7333
P7549
Atom CG of residue 21
P7270
P6689
P3325
P2612
P2178
P8327
P7882
P1309
P5195
P6230
P4267
Atom CA of residue 39
Atom C of residue 11
Atom HD12 of residue 73
P8071
P5772
P7395
Atom OE1 of residue 49
P6206
Atom CD2 of residue 28
P5340
P5036
P9664
P6454
P3222
P11995
P2313
P3038
P6164
P81
P1710
Atom CG of residue 1
P3206
Atom HG of residue 15
P3493
Atom CA of residue 45
P7331
Atom HB3 of residue 32
P2603
P3482
P5029
P7872
P4036
Atom CD2 of residue 56
P6655
P8907
P6679
P3958
Atom HG2 of residue 33
P4969
P3157
P4883
P10858
P4400
P166
P12905
P99
P5796
GeneralizedGuinierPorodFunction 55
P2582
P5187
P3259
P2960
P4818
P7271
P5604
P4573
P6322
P213
Atom C of residue 45
P7189
P3459
P5119
P2216
P7396
P3030
P7849
P4028
P7112
Atom C of residue 39
Atom N of residue 26
Atom HD13 of residue 73
P5807
P3326
Atom NE2 of residue 49
LEU
P5196
P7334
P6231
P4268
P361
P7182
P5776
P6207
P6656
P2133
P6690
P7883
P0
P6455
P3223
P11996
Atom HB3 of residue 18
P3039
P4037
P5037
P6165
P8328
P5339
P3207
P8072
P3494
P9665
P2604
P3483
P4401
P7332
P7873
P7550
P8908
P5030
Atom HG12 of residue 23
P2314
P5797
P3959
P4970
P1711
P3158
P4884
P12906
P2583
P5188
P3260
Atom HE1 of residue 45
P3460
P2961
P4819
P4029
P6680
Atom O of residue 39
Atom CB of residue 11
P7850
Atom HD21 of residue 73
P6323
P4574
P5773
Atom CB of residue 12
Atom N of residue 50
P9666
P10859
P7190
P8329
P5125
P2217
P3031
P5606
P6691
Atom OE1 of residue 41
P7335
P7113
P1385
P214
P3327
P5333
P319
P5197
Atom H of residue 56
P7397
P6232
VAL
P7272
P61
P5808
P165
P4269
Atom HG23 of residue 70
P3495
P6208
Atom CE2 of residue 45
Atom CB of residue 12
P7551
P6456
P3224
P3040
P4038
P2134
P6166
ListSingletonContainer515
P7884
P3208
P3960
Atom O of residue 7
Atom H of residue 49
P6657
P5038
P11997
P5605
Atom CE1 of residue 4
P7874
P1140
P2605
P1387
P6681
P1854
P8073
P8909
P7333
P1548
P1607
P10860
P62
P5031
P4971
P215
P7183
P5215
Atom CG of residue 11
P3484
P3160
P4885
P4402
P8330
P12907
P2315
P4575
P5189
P3261
Atom HD11 of residue 73
P2962
P0
P4848
P4032
P5798
P6324
P5334
P9667
P7273
Atom CA of residue 7
P3461
Atom CE2 of residue 4
P320
P3032
P3496
Atom HG21 of residue 66
Atom CZ of residue 45
P1852
P5809
P7191
Atom N of residue 71
P1380
P3328
P7851
P7114
P102
P5198
Atom CB of residue 4
P1141
P6233
P3159
P4270
P6692
P55
P7336
P7398
P6209
P7885
Atom NE2 of residue 41
P5775
P7552
P6457
P3225
P11998
P3041
P7184
P2218
P4039
P6167
P3209
P3961
P8074
P4030
P4576
P7875
P2606
P2135
P5039
P3485
P5799
P6658
P8910
P4871
Atom CA of residue 56
Atom C of residue 89
P1142
P7334
P4972
P4886
P4403
P5032
P12908
P6682
P5190
P3262
P3462
P2963
P1613
P7852
Atom HG23 of residue 66
P10861
P5607
P8331
P2316
P6325
ListSingletonContainer317
LEU
P5335
Atom CB of residue 34
Atom HA of residue 49
P9668
P7192
P7337
P3497
P7274
P216
Atom CD1 of residue 36
P5121
Atom H of residue 45
P5199
P321
P7399
P3033
Atom H of residue 21
P6234
Atom CD of residue 11
MET
P7115
P4271
P3329
P6210
Atom C of residue 56
P5810
P6693
P4577
P6458
P3226
P3042
P7185
P4040
P6168
P1544
Atom N of residue 42
P3962
P6659
P7553
P2607
P2136
P3486
P7886
P5040
P8911
P4932
P63
P11999
P168
P3463
Atom O of residue 89
P101
P3210
P7876
P2219
P1137
P4031
Atom N of residue 67
P4973
P8075
P4887
P4404
P7335
P12909
P5800
P5191
P3263
P5033
P2964
P6683
P6326
P1614
P5341
P9669
P10862
P7193
P2317
Atom H of residue 41
P5777
P3498
P7853
P3161
P5811
Atom HD22 of residue 71
Atom HB2 of residue 49
P7554
P7275
Atom CG of residue 62
P5122
P1843
P1138
Atom CA of residue 71
Atom H of residue 36
P5200
P7338
P3034
P6235
Atom CE of residue 11
Atom O of residue 56
P5608
P4272
P6694
Atom HA of residue 45
P7116
P7887
P3330
P6211
P12000
P4578
P322
P7877
P6459
ListSingletonContainer62
P3227
P3043
P217
P4041
P8076
P7400
Atom CG of residue 34
P6169
P7186
P2608
P2137
P3487
Atom HA of residue 71
P3464
P3211
P2220
P3964
P5041
P4974
Atom CB of residue 26
Atom C of residue 24
P6660
P4888
P4405
P12910
P6684
P5342
P1139
P5192
P3264
Atom CD of residue 62
P7336
P8333
P2965
P5034
P1608
P0
Atom CB of residue 28
P6327
P8912
P4823
Atom HG22 of residue 66
P7194
P2318
P7187
P5778
P3035
P3499
P3162
P7555
P9670
P167
P3331
P5216
P1844
P3963
P7401
P7854
P7276
P5201
P6236
P10863
P5812
P4273
P5801
P7339
P6212
P7117
P5609
P8332
ListSingletonContainer516
P4579
P4033
P6460
P3228
P3044
ARG
Atom CG1 of residue 26
P4042
P6661
P0
P6170
P6695
P7888
P3212
Atom HB3 of residue 49
P12001
P7878
P2609
Atom O of residue 45
Atom CB of residue 56
P4406
P1546
P218
P8077
P3465
P1144
P4975
P8518
Atom O of residue 24
P5042
P3488
P4889
Atom HG22 of residue 3
P12911
P2221
P5193
P8913
P2966
Atom C of residue 11
P2138
P7337
P1609
P6328
P5035
Atom CD1 of residue 23
P5802
P5217
P3265
Atom NZ of residue 11
P9671
P6685
P7188
P5202
P5779
P3036
P3500
P7855
P3163
Atom HZ2 of residue 6
P5338
P7556
P10864
P2319
P3332
P323
P4824
ListSingletonContainer66
P5610
P6696
P104
P6237
P7277
Atom CB of residue 62
P7195
P4274
P8519
Atom H of residue 16
P7402
Atom HG2 of residue 49
P6213
P5813
P4580
P6461
P3229
P7118
P3045
P1845
P4043
P6171
P3213
P3965
Atom C of residue 72
P7340
P2610
P4034
Atom CB of residue 45
P7889
P6662
Atom O of residue 11
P12002
P7879
P4976
P6686
P324
P8078
P3489
P4890
P4407
P12912
P219
P8520
Atom HD12 of residue 8
P5194
P3266
P5043
P8914
Atom HE2 of residue 11
ListSingletonContainer318
P2139
P5611
P2222
P6329
P7338
P8335
P9672
P5036
P1547
P5803
P2967
P7189
P5203
P3037
P3501
P3164
Atom HE21 of residue 62
Atom H of residue 23
P5373
P7557
Atom CA of residue 21
P10865
Model 7
P3338
P4825
P1610
P6238
P7278
GaussianProcessInterpolationRestraint 40
P5814
P7196
P4275
P2320
P5126
P7856
Atom CG1 of residue 26
P3466
P6214
Atom H of residue 11
P89
P6697
P4581
P4035
P6462
P3230
P3046
P1846
P4044
P7341
P6172
Atom HG12 of residue 5
P7119
P8334
P7890
P3214
P3966
Atom CG of residue 8
P12003
Atom H of residue 45
P7880
P5780
P8242
Atom HB3 of residue 38
P170
P103
P1550
P4977
P2681
P6663
Atom C of residue 45
P4408
P12913
P7403
Atom HE21 of residue 49
P5195
P3267
P3490
P220
Atom HB3 of residue 71
P5612
Atom HB of residue 3
P6687
P5374
P325
P6330
P8079
P8915
P7857
P4036
P90
P7339
P5804
P2968
P3339
P7190
P2223
P3038
P3165
Atom CG of residue 45
P1642
P5037
P8243
P4891
P3467
Atom HA of residue 45
P5781
P2140
Atom HA of residue 11
P4826
P1611
P5204
P3502
P7558
P5044
P6239
P10866
P4276
P5127
Atom N of residue 8
P6215
P9676
P7279
P7197
P2321
P4582
P1545
P6463
P3231
P3047
Atom HG2 of residue 38
P4045
P7342
P6173
P5815
P6698
P4
P3215
P7404
P7120
P1551
P8525
P8244
P6664
Atom O of residue 45
P4978
P7891
P1847
P2799
P4409
P1646
P12004
P12914
P7881
P5196
P3268
P10867
P2969
Restraint 21
P3967
P8080
P5613
P5045
Atom C of residue 6
P4892
P6331
P1546
Atom CA of residue 31
GLU
P8916
Atom HB2 of residue 11
P3491
P4037
P6688
P2224
P3039
P3503
P3166
P8337
P3336
P326
P7559
P5038
P169
P3468
P5805
P7191
P5782
P2141
P7858
P4827
P5816
P221
P5343
P5205
P3244
Atom CG of residue 38
P6240
P9673
P7280
P88
P7198
P4277
P5128
Atom HB2 of residue 45
Atom CA of residue 45
P6216
Atom HA of residue 21
P1647
P6699
ListSingletonContainer517
P2322
P4583
P6464
P3232
P7340
Atom NE1 of residue 28
P7892
P3048
P4046
P6174
Atom HD21 of residue 8
P12005
ASP
P3216
P7882
phys
Atom HG3 of residue 38
P7343
P7405
Atom HE2 of residue 1
P2132
P4410
P7121
P8336
P1612
P8563
P2548
P2679
P8448
P4979
P1848
P12915
P5197
Atom HB3 of residue 11
P3492
P10868
P3469
P1549
P5806
P2970
P8081
P6665
Atom O of residue 45
P5614
P6689
P5046
P9674
P4893
P6332
P3337
Atom C of residue 31
P0
Atom CZ of residue 45
P8522
P3968
Atom C of residue 50
P3269
P8917
P4038
P7192
P2225
P3040
P3167
P106
P7560
ListSingletonContainer65
P7341
P7344
P5783
P4828
P1613
Atom HB2 of residue 21
P5039
P1143
P5344
P5206
Atom HE1 of residue 1
P3504
P6241
Atom HG2 of residue 2
P5129
P7859
P3245
P6217
P5817
P2323
P222
Atom HD21 of residue 8
P6465
P3233
P4279
P3049
P4047
Atom CD of residue 38
P7281
P6175
Atom HH11 of residue 74
P7199
Atom C of residue 39
P3217
P4584
P7406
P2680
P2142
Atom N of residue 9
P4411
P6700
P7893
Atom HG2 of residue 11
P9675
P7122
P12006
Atom H of residue 23
P7883
Atom SD of residue 1
P3470
P4980
P1544
P3493
P12916
P8523
P3969
P5198
P3270
P10869
P2971
P327
P5615
P4278
P6666
P6333
P2173
P8082
P8918
P4039
Atom CB of residue 45
Atom N of residue 2
P5807
P1616
Atom O of residue 49
P7193
P1849
P3041
P5047
P3168
P2178
Atom O of residue 20
P7561
P4894
P7342
P6690
P7345
P5784
P7860
P4829
P1632
P0
P8452
P8339
P5345
P5207
P3505
P6242
P1643
P5040
P5130
Atom O of residue 50
Atom CG of residue 24
P6701
P8524
P2226
P3157
P6218
P4585
P2650
P6466
P3234
P1547
P3050
P328
P4048
P7282
P6176
P71
P5818
P3218
P3970
P5048
P2549
Atom HG13 of residue 23
P7200
P105
P223
P8083
P1546
Atom CG of residue 18
P2324
Atom HE2 of residue 1
P7407
Atom CG2 of residue 9
P7123
P8338
P4981
P7894
P3494
P4412
P12007
P12917
P1
P7884
P1348
P2143
P5199
P3271
P10870
P2972
P6691
P1621
P5616
P3471
P2174
P6667
Atom HH22 of residue 74
P6334
Atom C of residue 7
Atom OE1 of residue 31
P8919
P4040
P1482
Atom CA of residue 39
P7194
P3042
P3169
P4895
P5808
P1850
P7346
P4830
P1623
P5346
P5208
P8526
P3506
P6243
P9677
P7343
Atom CB of residue 49
P5131
Atom O of residue 27
Atom CB of residue 20
P5785
P5041
P1169
P2227
P3158
P6219
P7562
P2553
Atom CG2 of residue 9
P5819
P4586
P7408
P2651
Atom HG3 of residue 11
Atom HG21 of residue 23
P7861
Atom CD of residue 24
P6467
P3235
P8453
Atom CG of residue 2
P3051
P4049
P6177
P6702
P3219
P3971
P5049
Atom CG of residue 37
P1548
P8084
P3495
P7283
P4413
P7201
P4280
P12918
P7895
P224
P329
P12008
P2325
P7885
P1644
P7344
P3472
P4982
P0
P1487
P7124
P1547
P5200
P3272
P2550
P1161
P2973
Atom HE22 of residue 49
P6668
P5617
P2144
Atom O of residue 75
P10871
P6335
Atom N of residue 22
P8920
P4041
P5809
P6692
P8527
P3043
P3507
P3170
P9678
Atom HA of residue 27
P1615
P7862
Atom HD23 of residue 8
P4896
P2129
P7347
P5786
P4831
P5347
P5209
P6244
Atom HD2 of residue 11
ListSingletonContainer518
P7195
P5132
P1622
P60
P8454
P8341
Atom HZ2 of residue 48
P3
P3159
P6220
P7563
P5042
P4587
Atom CB of residue 27
P6468
P3236
P3052
P4050
Atom O of residue 57
P7284
P3220
P1856
P2617
P5050
P1543
P8085
P7409
P3496
P5820
P6703
P12919
P2228
Atom HD2 of residue 6
P7202
P3972
P7345
THR
P3473
P4281
P4983
Atom H of residue 75
P4414
Atom HB2 of residue 27
P330
P5201
P3273
P6178
P10872
P82
P1645
P7125
P8340
P7896
P2974
P6669
P1
Atom CD of residue 37
P5618
P7886
P2145
Atom CA of residue 9
P6336
P2326
P1554
P225
P8921
P4042
P3044
P3171
P108
Atom C of residue 18
P1630
P4897
P6693
P5787
P4832
P2130
P5348
P5210
P8528
P3508
P6245
GeneralizedGuinierPorodFunction 23
P12009
P5810
P7196
P5133
P7348
Atom HG3 of residue 49
P7863
P5821
P3160
P6221
P1680
P4588
P6469
P3237
P5043
P1473
P8455
P3053
P4051
P7564
P2551
P6704
P3221
P3973
P2618
P5051
P4282
P4988
P7897
P8086
ListSingletonContainer73
Atom HG11 of residue 5
P7887
Atom HB3 of residue 24
P5202
P6179
P1544
P7410
P7285
Atom HE of residue 74
P7346
P7203
P12010
P9679
P4415
P1145
P12920
Atom HG3 of residue 18
Atom O of residue 12
P10873
P2975
P2229
P7126
P5619
P3474
Atom HB3 of residue 27
Atom CB of residue 57
Atom O of residue 18
P1681
P6337
P2327
P1555
P5811
P6670
P3274
P8922
Linear1DFunction 20
P4043
P6694
P3045
P2146
P2552
P3172
Atom CA of residue 8
P1474
P4898
P1650
Atom HB of residue 12
P226
P1853
P8213
P7349
P5788
Atom HE21 of residue 2
P4833
P83
P2131
P5349
P5211
P3509
P6246
Atom CD of residue 42
P3497
Atom HD3 of residue 33
P4283
P5134
P3161
P7565
Atom CA of residue 10
P4589
P7197
P7864
P6470
P3238
P1147
P8343
P3054
Atom O of residue 46
P4052
P9680
P5822
P3222
P8529
P3974
P6222
P2619
P107
P4989
P331
P7411
P1615
P4416
P5203
P5052
P6180
Atom C of residue 7
Atom HE2 of residue 6
P8087
P6671
P7286
P1475
P7347
P12012
P3475
P6705
P7898
Atom OG of residue 57
P7204
P12921
P1545
P7888
Model 243
Atom HD12 of residue 8
P10874
P5044
P2976
Atom CG1 of residue 30
P1549
P6338
P7127
P8342
P3275
P2577
P8923
P4044
P3046
P3498
P3173
P5620
P2230
P4899
P5812
P332
P8214
P7350
P2147
P4834
P5350
P5218
P3510
P6247
Atom C of residue 64
P4284
P2328
P6695
P7198
P5135
P1855
P7865
P227
P2132
P8530
P3162
Atom H of residue 2
Atom NH2 of residue 42
P8457
P4590
P5789
P6471
P3239
Atom N of residue 27
P6706
P3055
Atom HE22 of residue 40
P4053
P2
Atom N of residue 58
P9681
P1480
P3223
P6223
P2620
P5053
Atom HD13 of residue 23
P1648
P5045
P1700
P8088
Atom HD2 of residue 6
Atom HG13 of residue 5
P7566
P1616
P5823
P131
P4987
P1550
P3975
P1677
P12013
P3476
Model 164
P1549
P4417
P12922
Atom CB of residue 46
P7412
P5204
P3276
P7287
P6181
P7348
P7205
P7899
P2977
P5212
P1817
P6672
P3499
P5
Multivariate Normal distribution 39
P5621
P8456
Atom HD23 of residue 15
P7889
Atom O of residue 64
Atom OG1 of residue 14
P6339
P6696
Atom O of residue 22
P2578
P8924
P4045
P7128
P3047
P3174
P10875
Atom H of residue 47
P4900
P1481
P4835
P5351
P2231
P3511
P6248
P4285
ListSingletonContainer519
P2329
P5813
P5136
P8202
P7567
P2148
ASP
P333
P3163
GLU
P4591
P228
P7
P5790
P6472
P3240
P1649
P1701
P3056
P2133
P5824
Atom HD21 of residue 69
P7199
P3224
P3976
P7413
Atom H of residue 18
P6224
P2621
Atom CD of residue 27
P5054
P7866
P7288
P5046
Atom CG2 of residue 30
P8345
P1822
P8089
P9682
P1617
P4418
P1486
P6707
P8531
P4054
Atom CB of residue 64
P133
Atom HE3 of residue 33
P5213
Restraint 4
P7349
P3477
P7900
P7354
Atom CG2 of residue 14
P12923
P7890
P5205
P3277
P1678
P6182
P12011
Atom HD1 of residue 68
P2978
P1553
P7206
Atom N of residue 16
Atom H of residue 46
P3500
P6340
P110
P6673
P8925
P4046
P3048
P3175
P10876
P7129
P5622
P8344
Atom CG of residue 58
P4901
P5814
P6697
P4849
P3
P5352
Atom HA2 of residue 47
P2232
P3512
P6249
P7867
P4286
P5137
P8203
P1478
P3165
P6225
P4592
P7351
P2149
P6473
ListSingletonContainer96
P3241
P3057
P8532
P7568
P9683
Atom O of residue 35
Atom N of residue 27
P8459
P334
P3225
Atom HB2 of residue 1
P5791
P2622
P5055
P2330
P2134
P7200
P8090
P1618
P4419
P1694
P1338
P4055
Atom CE of residue 27
Atom HB2 of residue 11
P5047
Atom HD2 of residue 68
P5214
P3977
P7414
P5825
P7350
P6708
P229
P2554
P3501
P12924
P1357
P3164
P5206
P3278
P1679
P6183
P12014
P2979
P1815
P6674
P3478
P7289
P6341
P7207
P7901
Atom HA of residue 20
P8926
P4047
Atom CG of residue 64
P8458
P7891
P3049
P3176
P1479
P5623
LYS
P7352
P4
Atom HB of residue 14
P4902
P5048
P7130
P4850
P10877
P5353
P3513
P6250
Atom OD1 of residue 58
P3247
P4287
P6698
P5138
Atom H of residue 15
P2233
P4593
P5815
P5792
P2150
Atom C of residue 24
P7868
P6474
P5826
P109
P1358
P3058
P1548
P8204
Atom HE1 of residue 68
P3226
P3978
P6226
P2623
P2331
P7353
P7569
Model 407
P1619
Atom H of residue 35
P6709
P1695
Atom N of residue 70
P7201
P4056
P3502
P8347
P7902
P2135
P5219
Atom HA3 of residue 47
P11848
P12015
P3479
P7892
P8533
P5056
P2563
P4420
P12925
P8091
P7415
P5207
P3279
P6184
P2980
Atom O of residue 18
P230
P6342
P1823
Atom C of residue 30
P8927
P4048
P7208
P3050
P3177
P10878
P3333
P1504
P7354
P5816
P6675
P7290
P4903
P5049
P6699
P7131
P8346
P5354
P3514
P6251
Atom HG21 of residue 14
P5624
P4288
P5139
P335
P2555
P4837
Atom HG21 of residue 26
P1340
P1684
Atom HB2 of residue 8
P4594
P2151
P6475
P3571
P2234
P8205
Atom HB2 of residue 20
P7570
Atom HB of residue 9
Atom HG13 of residue 30
Model 203
P3227
P3979
P6227
P2624
P7869
P11849
P8312
P8534
Atom CB of residue 18
P1633
P4421
P5827
P8461
P1354
P4057
P3166
P5793
P3503
P2136
P7202
P5316
P7416
P1505
VAL
P5057
Atom O of residue 24
P12926
P8092
P6676
P5208
P3280
P6185
P6710
P2332
P7903
P2981
P336
P3480
P1696
P7893
P0
P6343
P7351
P12016
Atom CA of residue 33
Atom O of residue 30
P8928
P4049
P3051
P3178
P7291
P6
Atom CE1 of residue 4
P7209
P5625
P231
P8313
Atom HG11 of residue 17
Atom HA of residue 4
P4904
P5050
P8460
ListSingletonContainer520
P4838
P1506
Atom HG1 of residue 9
P5355
P1824
P3515
P6252
P7132
P4289
P5817
P5140
P2556
P10879
Atom CA of residue 69
Atom N of residue 12
P7355
P5794
P6228
P3244
P6700
P7870
P1642
P6476
P3595
P8206
P4199
P74
P3228
P3980
P2625
P6711
P2235
P4422
Atom CG1 of residue 61
P8314
P4058
P3167
P7352
P12017
Atom HD3 of residue 11
P2137
P7571
P2152
P5828
P3481
P7203
Atom C of residue 21
Atom N of residue 24
Atom HD21 of residue 71
P8349
P12927
P5317
P5209
P3281
P3504
P1682
P11732
P6186
Atom O of residue 17
P2982
P8535
Atom CB of residue 30
P5058
Atom C of residue 8
P1697
P8093
P7417
Atom HG12 of residue 17
P1634
P6344
P112
P2333
P7904
P6677
P8929
P10880
P8521
P337
P7894
P3052
P3179
P6701
P4905
P5051
P7210
Atom OE2 of residue 35
P232
Atom C of residue 55
P1876
P4839
P4050
P3245
P1499
P5356
P1818
P3516
P6253
P7292
P5626
P4290
P3596
P5141
P2557
P3
P7
P7133
P8348
P6229
P7353
P5818
P7572
P6477
Atom HA of residue 14
P68
P4059
P8207
P4200
P3229
P3981
Atom HA3 of residue 75
P7356
P5795
P2627
Atom HB3 of residue 29
P1631
Atom CA of residue 24
P4423
P3168
P7418
P7871
P2079
P5328
P8309
P8536
P2236
P2153
P6712
P8463
Atom O of residue 33
P5059
P12928
P1378
P1425
P7204
P8094
P5210
P3282
P3505
P11733
P6187
P12018
P8522
P7905
P2983
Atom O of residue 21
P1683
P1339
P3482
Atom O of residue 55
P7895
P1555
P6345
P5854
P2356
P2138
P2626
P8930
Atom HA of residue 5
P4051
P1500
P3053
P3180
P5627
P6678
Atom HG1 of residue 14
P4906
P4840
P7293
P10881
P7211
P5357
P8310
P338
P3517
P6254
P5052
P8462
P1430
P5819
P6702
P5142
P2558
P1877
P6230
Atom HG23 of residue 23
P1652
P6478
P111
P1379
P1819
P4060
P8208
P4201
ListSingletonContainer64
P233
P3230
P3982
P7357
P2120
P3572
Atom CB of residue 33
GLY
P7573
Atom N of residue 99
P4291
P3169
P5796
P1501
P1702
P2237
P1556
P7872
P7134
Atom C of residue 63
P8311
P4424
P12929
P7419
P5211
P3283
P3506
P11734
P6188
THR
P6908
P6713
P2357
P2984
P7205
Atom CA of residue 72
P5628
P3483
P8351
P5220
P6346
P7355
P12019
P2139
P8537
P6679
P2154
P5329
P8931
P4052
P8095
P3054
P3518
Atom CG of residue 11
P3181
P7294
P1389
P7906
P4907
P5053
P8523
P7896
P4841
Atom NE of residue 54
P1431
P5358
P6255
Atom HG22 of residue 14
P7212
Atom N of residue 55
P5143
P2559
P10882
P7358
P6231
P6703
P6479
P1509
P7135
Atom CA of residue 99
Atom CB of residue 63
P4292
P8350
P8209
Atom HD2 of residue 45
P4202
P121
P5820
P1878
P3231
P5797
P2628
Atom N of residue 72
P3573
P1820
Atom NE of residue 42
P4061
P3170
P1623
P6909
P234
Atom CG of residue 33
P2238
P3983
Atom CA of residue 76
P7574
P7873
P6714
P8096
P4425
P7356
P12930
P8315
P8538
P5218
P3284
Atom HD11 of residue 23
P3507
P11735
P6189
P12020
P8465
P2985
P7897
Atom HG2 of residue 41
P1512
P3484
P7206
P5221
P7420
P6347
P8524
P7907
P339
P5330
P8932
P3055
P6256
P3182
P5629
P2155
P4908
P2076
P5054
ListSingletonContainer521
Atom HA of residue 20
P4842
P4053
P10883
Atom CA of residue 20
P1368
P2347
P1416
P5821
P1699
P5359
P3519
P6680
Atom HG23 of residue 14
P2140
P6704
P5144
P1554
P7295
P7213
P8316
P6232
P122
P8464
P2213
P7359
P6480
P7136
P8210
P5212
P2560
Atom CZ of residue 54
P4203
Atom HE21 of residue 62
P3232
P3984
P3574
P340
P1821
P7575
P4293
P3171
P7874
P3508
P1624
P1879
P4062
P2629
Atom H of residue 14
P5798
P12931
P7421
P3285
P11736
P6190
P4426
P2986
P236
P8317
P1557
P5222
P8097
P6681
P6348
P6853
P3485
P6715
P7908
P7207
P2239
Atom HB2 of residue 20
P8933
Atom HG of residue 71
Atom HG3 of residue 41
Atom N of residue 84
P8353
P1369
P1417
Atom HA of residue 19
P7898
P3056
P6257
P12021
P5630
Atom HD2 of residue 48
P8539
P5318
P4909
P5055
P4843
P4054
Atom CG1 of residue 5
P5360
P3521
Atom HD3 of residue 11
Atom HA of residue 45
P3183
P2077
P1507
P8525
P2141
P5145
P2214
P5213
P7296
P6233
P2156
P7214
P5822
Atom HB2 of residue 6
P8318
P7360
P6481
P10884
P4294
P5799
P2561
P4204
P7357
P2348
P6705
P3233
P7137
P8352
P3
P1558
Atom HD2 of residue 54
P3172
P7875
P1625
P6716
P3985
P4063
P3520
P3575
P341
GLY
Atom H of residue 5
P12022
P12932
P113
P2630
P7576
P3286
P3509
P11737
P6191
P6854
P1370
P1423
P2987
P1880
P5631
P5223
P8319
P8540
Atom HB3 of residue 45
P6349
Atom HB2 of residue 62
P8467
P2240
P8934
P4427
P2121
P1508
P7138
P7208
P8098
P7422
P3057
Atom HZ1 of residue 11
P3184
ListSingletonContainer80
P8526
P7909
P6682
P5319
Atom NH1 of residue 54
P4910
P10885
Atom HE21 of residue 41
LEU
P3486
Atom HB2 of residue 19
P7899
P1
P4844
P4055
Atom C of residue 12
P7358
P6706
P5361
Atom HD3 of residue 48
P6258
P114
P5146
P5214
P2562
P282
P1832
P6234
Atom HZ2 of residue 33
P5056
Atom CG of residue 19
P7361
P7297
P6482
P7215
P4295
Atom H of residue 4
P8320
P2157
P4205
P8466
P1371
P2349
P5823
P3234
P7577
Atom O of residue 28
Atom HA of residue 8
P4064
P3173
P5800
P1626
Atom C of residue 5
P2142
P3986
P3576
P2159
P7423
P7876
P1399
P12933
P1424
Atom HB3 of residue 25
P2631
P3287
P3510
P11738
P6192
Atom OG1 of residue 12
P4428
P6855
P6717
P2988
Atom N of residue 12
Atom CB of residue 11
P5632
P5224
P342
P2122
P6350
P12023
P3487
P7910
P1559
P8935
P4056
Restraint 59
P7139
P1881
P7900
P3058
P3185
Atom NE2 of residue 68
Atom CA of residue 81
Atom CG of residue 21
P7209
P6511
P5320
P4911
P8355
P1372
Atom CG of residue 24
P4845
Model 111
P7359
ListSingletonContainer522
P5362
P8541
P6683
P6259
Atom HA of residue 6
P4296
P1429
P5147
P1833
P8099
P5219
P2579
P7298
P10886
P1346
Atom HZ3 of residue 48
P6235
P5057
P8527
P5824
P6707
P2241
P7362
P3522
Atom HB2 of residue 8
P1400
P6483
P2158
P7877
P4206
P7216
P8321
P3235
P3987
Atom HZ3 of residue 11
Atom CB of residue 11
P3577
P8215
Atom HD21 of residue 25
P3174
P1627
P141
P8354
P7578
Atom CG of residue 11
P2160
P4429
P12934
P1373
P1882
P2632
P3288
P3511
P11739
P6193
P6856
P2989
Model 8
Atom C of residue 81
P3488
P2350
P2143
P5225
P7424
P1560
Atom N of residue 34
P6351
P6718
P1421
Atom N of residue 11
P8936
P4
P7140
P280
P8322
P8542
P3571
LEU
P3186
P12024
P8469
P6512
P4065
P5801
Model 62
P6684
P5321
P4912
P7210
P1839
P8100
P4846
P1401
Atom OD1 of residue 21
P8528
P7911
P5363
P6260
P4057
Atom OG of residue 60
Atom CA of residue 22
P7901
P5316
LEU
P7360
P6236
P2080
P6484
P10887
P4297
Atom HD2 of residue 4
Atom N of residue 49
P8216
P4207
P5058
P6708
P3236
P3988
P7363
P3523
P4990
P2611
P7299
P143
P7217
P5633
P3578
P8323
P2159
P8468
P1422
P5825
Atom CD of residue 24
Atom HD22 of residue 25
P5148
P2242
P3175
P7878
P1628
Atom HD13 of residue 23
P343
Atom OG1 of residue 22
P1450
Atom HE3 of residue 33
P4431
P12935
P5802
P2633
P7579
P3289
P3512
P11740
P6194
P6857
P6719
P115
P2990
P1769
Atom HG12 of residue 70
P3490
P5226
P6352
P12025
P7902
P4991
P8937
P4847
P7141
P2144
P7425
P3595
Atom C of residue 69
P6513
P5322
P4913
P2351
P2161
P8101
P1395
Atom CD of residue 11
P7361
Atom HD11 of residue 3
P1451
P281
P1441
P7211
P6261
P3187
P4430
P4298
P7912
P344
P10888
ListSingletonContainer101
P5826
P1840
P8543
P3524
P6237
P6685
P2612
P5059
P5634
P3489
P6709
P1883
P4066
P7364
P5317
P4058
P6485
P5149
P4208
P8357
P8529
P3237
P3989
Atom O of residue 5
P7300
Atom CA of residue 69
Atom N of residue 24
P3579
P5364
GLN
P4195
P2160
Atom HZ2 of residue 11
P7218
P8324
P3176
P1629
P2081
P1442
P7580
P4992
Atom CD of residue 48
P2243
P1864
P7879
P12936
P2634
P3290
P3513
P11741
P6195
P6858
P1452
P2991
P5432
P5803
P3596
P5227
P7426
P5323
P6353
P8938
P4853
P1396
Atom OE1 of residue 51
Restraint 22
P277
P2145
P3525
P6686
Atom O of residue 69
P3188
Atom HG13 of residue 70
P6720
P116
P6514
P4914
P7142
P1443
P8325
P7903
P8544
P12026
P8471
P4067
Atom C of residue 73
P6262
P4059
P2352
P7212
P8102
P5328
P8530
P7913
P1834
P6238
Atom HD21 of residue 15
P5635
P5365
P1884
P2162
Atom C of residue 49
P7365
P2564
P6486
P7362
P5150
P345
P1404
P4209
P1635
P5827
P3238
P3990
P10889
P1333
P1448
P3580
P5329
P6710
P3177
P7880
P7301
P7219
P8360
P8326
P4994
Atom OE2 of residue 51
P3491
P8470
P5435
P2244
P4196
P6721
P12937
P2635
P3291
P8939
P4868
P3514
P1764
P11742
P6196
P6859
P2992
Atom CE of residue 48
P8103
P5804
P12027
P4299
P5228
P4068
P7581
P5324
Atom C of residue 12
P1407
P4432
P2082
P6354
P2161
P4060
P1340
P7143
P3526
Atom CB of residue 69
P3189
P5636
Atom O of residue 11
P4915
Atom CE of residue 6
ListSingletonContainer523
P2146
P7427
P3572
Atom O of residue 16
Atom HG21 of residue 70
P2353
P278
P6515
P6687
P6263
P10890
P1835
P7904
Atom O of residue 73
P1437
P6711
P7213
P6239
P1643
P7914
P5366
P7366
P2565
P6487
Atom O of residue 45
P8545
P4109
P4210
P7363
P1316
P3239
P2163
P5220
P7302
P3581
P1885
P1408
P5330
P8531
P5828
P5151
P346
P3178
P7582
P1
P4069
P4995
P7220
P4300
P8327
P12938
P1449
P2636
P3292
P8940
P3515
P11743
P6197
P6860
P1310
P2993
P3991
P8104
P7428
P7881
P5637
P5229
P2083
P6355
P6722
Atom NZ of residue 48
P5378
P2245
P5805
P1862
P7144
Atom HA of residue 58
P3190
P4433
P12028
P3492
P6516
P5325
P4851
P4916
P1449
P7905
P3573
P3527
P2162
P6264
P2147
P8328
P8546
Atom N of residue 69
P1765
P0
Atom HG22 of residue 70
Atom HB2 of residue 4
P177
P8473
P2354
GeneralizedGuinierPorodFunction 56
P6240
P6688
Atom H of residue 51
P279
P7214
P1836
P2566
P6488
P10891
Atom CB of residue 45
P8532
P7915
P4110
P6712
P3240
P5221
P7364
P8356
P3582
P5367
Atom HE3 of residue 11
P7882
P2180
P1310
P5152
P2164
P3179
P7367
P1713
P4061
P4211
P4871
P117
P3992
P5806
P5318
P4301
P1886
Atom HB2 of residue 58
Atom CA of residue 73
P1402
P7303
P7221
P12939
P1451
P8329
P2637
P7583
P3293
P4993
P4852
P3516
P11744
P6198
P6861
P8472
P5854
P2994
P8105
P1865
P4434
P5638
P5230
THR
P6356
P5379
P8941
P7145
ListSingletonContainer323
P2359
P4070
P7429
P3528
P3191
Atom HA of residue 51
P6723
P6517
P2246
P5326
P4917
Atom HB3 of residue 46
Atom HG1 of residue 12
P12029
P3493
Atom N of residue 74
P6689
P6265
P2084
P3574
P6241
P2163
Atom HD11 of residue 3
Atom HG13 of residue 70
Atom HD13 of residue 30
P2148
Atom HD13 of residue 30
P347
P7906
P2567
P1403
P1766
P6489
P7215
P4111
P1867
Covariance1DFunction 56
P4212
P4803
Atom O of residue 31
P7916
P3241
P1837
P5222
P10892
Atom C of residue 45
P4302
P3583
P5368
P8547
P4435
P7365
P2216
P241
P6713
P5153
P3180
P7368
Atom CD of residue 6
Atom CB of residue 13
P4932
Atom H of residue 58
P3993
P5319
P8533
P6908
P2165
P1715
P7883
P7304
P12940
P2638
P3294
P3517
P11745
P6199
Atom O of residue 53
P6862
P7222
P2995
P1887
P4071
P8106
P5807
P118
P2382
P5231
P7584
P4062
Atom N of residue 47
P6357
P6724
Atom CD2 of residue 15
P5380
P348
P4996
P8942
P3494
Atom O of residue 74
GeneralizedGuinierPorodFunction 0
P3529
P8310
P3192
P12030
P5639
P242
P6518
P7907
P5327
P4918
Atom HA of residue 19
P7430
P3575
P1868
P1771
P2247
P6266
P2085
P7146
P4303
P8330
P4804
P3247
P6242
Atom N of residue 31
P8548
P2568
P6490
P10893
P8475
P4112
P6690
P2164
P4213
Atom HG21 of residue 70
P2149
P6714
P7216
P5223
P8534
P6909
P7917
P3584
P1453
P5369
P8311
P4436
Atom CB of residue 31
P5154
P1838
P4072
P3181
P3518
P7366
Atom HE1 of residue 4
P3994
GaussianProcessInterpolation40
P5320
Atom HG23 of residue 70
P7369
Atom CE of residue 6
P4853
P12941
Atom CB of residue 74
P2217
P8331
P2639
P7585
P3295
Atom HA of residue 24
P11746
P6200
Atom H of residue 53
P6863
P2996
P2166
P1712
P4997
P7884
P1773
P7305
P7223
P5640
P3495
P5232
P5332
P4063
P6358
Atom HG3 of residue 64
P8474
P5381
P1888
P8107
P5808
P8943
P1458
P7431
P3193
Atom HD23 of residue 15
GLY
Atom CD of residue 33
P1
P4919
P1790
P4805
P2358
P0
P243
P349
Atom HG22 of residue 3
P3576
P6691
P7145
P6725
ListSingletonContainer524
P1842
P2248
P3530
P6267
P7147
P4304
P7908
Atom HB2 of residue 19
P12031
P6519
P3333
P6243
P179
P2569
P6491
P4113
P2150
P5224
P2086
Atom N of residue 71
P1484
P7217
P5370
P2165
P4437
Atom HG22 of residue 70
P7918
P5155
P4073
P3182
P7370
P4064
P4214
P10894
P1459
P8549
P5321
P7367
P3496
P6715
P5336
P7885
P7306
Atom CA of residue 16
P6359
Atom N of residue 65
P4854
P12942
P2210
P2640
P3519
P11747
P6201
P6864
P8535
P6853
P2997
P3585
P2167
P3995
P8108
P5809
P1716
Atom NZ of residue 6
P6726
P5233
Atom HB2 of residue 24
Atom HA2 of residue 53
P7224
Atom HG21 of residue 36
P5382
Atom CE of residue 33
P1866
P3296
P8944
P12032
P3531
P7586
P3194
P7146
P5641
P1851
P4998
P4920
LEU
Atom C of residue 74
P1889
P3577
P180
P1485
P2249
P6268
P1791
P4305
Atom CA of residue 49
P7432
P1770
P4821
P350
P6520
P6244
P6692
P10895
P7148
P1450
P8332
P7909
P2570
P6492
GLU
P6716
P3246
P4074
P4114
P4065
P4215
P244
P2151
P8550
P5225
Atom O of residue 11
P2087
P8477
P5371
P7218
P5156
P3183
P8536
P7919
P1486
P3996
P2166
Atom H of residue 61
P5322
P3497
P119
P6854
P7587
Atom CA of residue 54
P4438
P6360
P7368
P4855
P12943
Atom HG22 of residue 36
P2641
P3297
P4999
P8314
P11748
P6202
P6865
P2998
P3586
P1452
Atom CE of residue 33
P8109
P1869
SER
P5642
P2211
P5234
P8333
P5383
P7433
P0
P8945
P7886
P7307
P7225
P2
P3532
P5331
P3195
P6727
P8476
P2168
P5810
P4921
Atom CB of residue 11
ListSingletonContainer324
P12033
Atom HD2 of residue 27
P7371
P6269
P6493
P7149
P4306
P4822
Atom C of residue 49
P7910
P3520
Atom C of residue 16
P6915
P1890
P2250
P3578
Atom CA of residue 71
P2571
P6521
P4075
P4115
P6693
Atom HB3 of residue 63
P4066
P1795
P3997
P6245
P5226
P10896
P5323
P120
P5372
P1871
P4439
P6717
P5157
P3184
P8315
P4216
P245
P1479
P7219
P7372
P2167
P7887
P182
P3498
P6855
P7920
P2081
P4856
P12944
P2152
P8551
P5811
P2642
P3298
Atom HD12 of residue 61
Atom N of residue 51
P11749
P0
P6203
P6866
P7369
P2999
P3587
P1841
P8110
Atom HE2 of residue 6
P5643
P2212
Atom HB2 of residue 27
Atom HG23 of residue 36
P5235
P1714
P7588
P2088
P6361
P8537
P5384
Atom NZ of residue 33
P8946
P7308
P2169
P2255
P3196
P7226
P351
P3521
P4922
Atom CA of residue 65
P1355
P7434
P3579
P2
Atom HD3 of residue 27
P3533
P6270
P4067
P6494
P4307
P4836
GLN
Atom HG2 of residue 63
Atom HD3 of residue 11
P12034
P6522
P6246
P6694
P5000
P2572
Atom H of residue 6
P1796
P1891
P4076
P4116
P1873
P7150
P1480
P8334
P7911
Atom CB of residue 24
P5227
GaussianProcessInterpolationRestraint 8
P5324
P6728
P5377
Atom HD12 of residue 15
P4440
Atom HB3 of residue 27
P5158
P8552
P3185
P1
P1717
P10897
P6916
P8479
P352
P3999
P7374
P5068
Atom HG2 of residue 38
P3499
P6856
P6718
P7220
P1
P4857
P12945
P8538
P7921
P2153
P2643
P2168
P11750
P6204
P6867
P3000
P3588
P246
P7888
P2089
P7370
P5644
P149
P2213
P5236
P2257
P8316
P6362
Atom HG23 of residue 14
P5385
P2082
P5812
P3299
P8947
P8335
P3534
P7589
P3197
P8111
P5001
P3522
P4217
P7309
P4923
P7227
P2170
P3998
P3580
P12035
P1792
P8478
P7912
P6271
Atom HA of residue 6
P4068
P6495
ListSingletonContainer336
P4308
P6729
P7435
Atom HG3 of residue 63
Atom C of residue 51
PHE
P1481
P6247
P1719
P4806
Atom CG of residue 24
P2573
P1409
P4077
P4117
P6917
P2
P5228
Atom CA of residue 73
Atom HG3 of residue 38
P10898
P7151
LEU
P5431
P6523
P6695
Atom HD13 of residue 15
P6719
P5159
P1892
P3186
P7375
Atom OG1 of residue 9
P5325
P3500
P150
P6857
P5069
P8317
P4441
P4858
P12946
P7221
P2644
P3300
P11751
P6205
P6868
P0
P7922
P3001
P3589
P353
P2090
P247
P5237
P8553
P7590
P2169
P3523
P4218
P6363
P1489
P5386
P2079
P8948
P7889
P7310
P3535
Atom HB2 of residue 6
P3198
P1410
P5645
P8539
P2154
P8112
P1
P5813
P5002
P4924
Atom HZ3 of residue 29
P2254
P7436
P3581
Atom N of residue 73
P4069
P7228
P2214
P1870
P6272
P6496
P142
Atom CG2 of residue 7
P6524
P2171
P6696
Restraint 60
P7371
P2
P6730
P6248
P1721
Atom HD2 of residue 38
Atom HD23 of residue 50
P4807
P7913
P2574
Atom HD2 of residue 63
P12036
P4309
P4078
P4118
P6918
P1793
P5229
P1411
Atom NZ of residue 116
P7152
P1493
P5160
P8336
Atom H of residue 25
P3187
P3524
P5375
P5326
P3501
P6858
P8554
P10899
P4442
P4859
P8481
P12947
P7373
P2645
P3301
P5070
P11752
P6206
P6869
P3002
P3590
P6720
P7222
P4000
Model 92
Atom HB3 of residue 6
P7890
P8540
P7923
P2218
P5238
P6364
Atom CA of residue 30
P5387
P1893
P5814
P8949
P2104
P4070
P7372
Atom C of residue 5
P354
P2170
P8318
P3199
P4219
P5646
P1494
P4925
P12037
Atom HE3 of residue 48
P8337
P3582
P7591
P2155
Atom HG21 of residue 7
P8113
P3536
P5003
P6273
P7311
P6497
Atom HD21 of residue 15
P7229
Atom C of residue 45
P248
P2172
Atom H of residue 45
P2091
P6731
P8480
ListSingletonContainer540
Atom O of residue 25
P5376
P2084
P7437
Atom HH11 of residue 42
P2575
P4310
P6525
P4079
P4119
P1718
P6697
P10900
P1794
P7914
P5432
P6249
P5230
P1396
P6721
P4443
Atom N of residue 30
P5161
P3188
P1874
P3525
Covariance1DFunction 75
P6919
P7153
P4808
P2222
P1663
P5327
P3502
P6859
P4860
P12948
P7376
P2646
P3302
P5004
Atom CD of residue 48
P11753
P6207
P6870
P3591
P7592
P5071
Atom C of residue 70
P8319
P5647
Atom CB of residue 37
P7223
P5239
P6365
P7924
P5388
P4001
P8950
Atom CB of residue 85
Atom HG2 of residue 6
P7373
P3003
P8555
P3537
Atom H of residue 63
P3200
Model 244
P1487
P8114
P7438
P7891
P4926
P1894
Atom N of residue 10
P3583
P2171
P4071
P4220
P1397
P8541
P5815
P6274
Atom N of residue 117
P7312
P6498
P4311
Atom O of residue 45
Atom HZ2 of residue 48
P2223
P2173
P7230
P12038
P6506
P6250
P140
P7915
Atom HB2 of residue 45
P5435
P2576
P6732
P152
P249
P2156
P4080
P4121
Atom CB of residue 25
P4809
P1325
P5231
P2092
P5332
P6526
Atom HG12 of residue 3
P6698
Atom C of residue 40
P4444
P1798
P5162
P10901
P6920
P7377
P7154
P3503
P6860
P6722
P8338
P4221
Restraint 99
P4861
P12949
P4002
P3189
P2647
P3303
P5005
P7892
P3526
P11754
P6208
P6871
P3592
P1488
P8556
P5648
P8483
Atom CG of residue 37
P5240
P4120
P5816
P5072
Atom CE of residue 48
P6366
P7224
P5389
P407
P8951
Atom HG3 of residue 48
P4072
P1398
P8542
P7925
P3004
P1895
Atom HB3 of residue 1
P7593
P3201
Atom HG3 of residue 6
P4927
P7374
P6733
P2085
P2172
P8320
Atom CA of residue 9
Atom OD1 of residue 32
P3538
Atom CB of residue 1
P2617
P6275
P6499
P151
Atom HZ3 of residue 48
P8339
P7439
P13030
Atom HE2 of residue 45
P6507
P8115
P6251
P7313
Atom HG11 of residue 5
P5336
P7231
P12039
P8482
GLY
P6527
P3584
P1872
P6699
P4810
Atom CD1 of residue 44
P4003
P5232
P2157
P2174
P7375
P250
P5163
P7916
P4081
P5378
P4222
P6921
P2093
P2235
Atom HE1 of residue 45
P3504
P4312
P6861
P10902
P4445
P7155
P1804
P4862
P12950
P3190
Atom NH1 of residue 21
P2648
P3304
P5006
P13029
P3527
P11755
P6209
P1399
P6872
P3005
P3593
P6723
P2086
P5649
Atom HD3 of residue 48
P5241
P7378
P6367
Atom HG2 of residue 11
P5390
Atom HG3 of residue 42
P5073
P8952
P7893
P8321
P4073
P7225
Atom OD2 of residue 32
P8116
P3539
P2650
P3202
Atom NZ of residue 48
P7926
P408
P5817
Atom HD2 of residue 48
P4928
Atom HH12 of residue 42
P8557
P1875
P7594
P2173
Atom CA of residue 40
ListSingletonContainer102
ListSingletonContainer337
Atom CE2 of residue 45
P6276
P7314
P6500
P3
P13031
Atom O of residue 15
P12040
P6734
P8543
P7917
P6252
P7440
P7232
P6149
P3585
Atom HD2 of residue 6
P4223
P4811
Model 9
Atom H of residue 44
P4004
P5233
P4313
P2158
P1896
P2175
P4446
P7376
P5164
P4082
P3191
P4122
P7379
P5379
P10903
P6922
P1400
P5331
P251
P6528
P6700
P3505
P6862
Model 165
Atom CB of residue 68
P6724
P1876
P2675
P2094
P4863
P12951
P3305
P5007
P13032
P3528
Atom CG of residue 54
P11756
P6210
P6873
P7156
P3006
P3594
Atom HD1 of residue 45
P8340
P5650
P5242
P6368
P5391
P4
P2088
P8558
P8953
P1797
P8485
P3540
P5074
P3203
P7226
P7894
P4929
P183
P8544
Atom HH21 of residue 42
P4074
Atom C of residue 47
P409
P8117
P5818
P6277
Atom HD3 of residue 48
P6501
P4314
Atom HG3 of residue 1
P7441
P8322
P2
P1401
P6253
P2613
P13033
Atom HD3 of residue 6
P1897
P8341
P6529
P6701
P7595
P6735
P3586
P2174
P4224
P7315
P7233
P2234
P4820
Atom OG1 of residue 55
P1961
P7927
P7918
P4005
P5234
Atom CA of residue 46
P12041
P8484
P2676
P7377
P6150
P5165
Atom HD12 of residue 44
P4083
P3192
P5380
P3529
Atom HB2 of residue 45
P6923
P2159
Atom O of residue 2
P1
P3506
P6863
Atom H of residue 68
P4123
P4055
P4447
P2095
P4864
P12952
P7380
P3306
P11757
P6211
P1308
P6874
P3007
P3599
P2176
P13034
P10904
Atom CA of residue 66
P7157
P5651
P5008
P6369
P6725
P5392
P1877
P8954
P7895
P4075
P4812
P252
P3204
Atom CD of residue 54
P2237
P5819
P5075
P8323
P4930
P1402
P123
P7227
Atom OD2 of residue 21
Atom C of residue 5
P2614
P7928
P3541
P6278
P6502
P12042
P4315
P5243
Model 204
P2087
P8559
P7596
bonded
P5068
P6736
Atom O of residue 47
P410
P8118
P6254
Atom HE2 of residue 48
Atom CB of residue 60
P8545
P4084
P3587
P2175
P4225
P7316
Atom OE2 of residue 16
P7442
P3
P5235
Atom C of residue 46
P7234
ListSingletonContainer326
P1898
P6530
P1881
P6702
P10905
P4448
P7378
P124
P6151
P5166
P7919
P3193
P5381
P3530
P6924
P3600
P2160
P6726
P4006
P6864
P4124
P2652
P4056
Atom C of residue 7
P1403
P4865
P12953
P3307
P5009
P11758
P6212
P6875
P3008
Atom HA of residue 68
P2177
P5652
P3507
Atom HG3 of residue 1
P7381
P6370
P7158
P2238
P5393
P8342
P2089
P8955
P4076
P2096
Atom CB of residue 66
P4813
P3205
P5244
P8560
CHARMMStereochemistryRestraint11
P4931
P8487
Atom H of residue 21
P5076
Atom NE of residue 54
Atom HG21 of residue 5
P7929
P253
P7228
P8119
P7443
P3542
P6279
P7896
P186
P4316
P8546
Atom CG2 of residue 55
P7597
Model 124
P5820
P1883
P6255
P5069
Atom CG of residue 60
Atom HG2 of residue 29
P8324
P6503
P1404
P12043
P1963
P411
P4085
P3588
P4226
Atom HB3 of residue 45
P8343
P7920
P4007
Atom CG2 of residue 9
P5236
ALA
P6737
P7317
P4449
P7235
Atom O of residue 29
P6152
P5167
Atom H of residue 16
P3194
P5382
P2653
P3531
P6925
P8486
P1899
P6531
P6703
Atom OG1 of residue 66
P7379
P6865
P4125
P2176
P4057
P10906
P4866
P12954
P7382
P3308
P5010
P11759
P6213
P6876
P3009
Atom HB3 of residue 16
P6727
Atom HE3 of residue 6
P2121
P3508
ListSingletonContainer527
P2097
P6371
P5394
P8956
P4077
P7159
P4814
P1965
P5821
P3543
P3206
P1405
P2161
P5245
P7897
P5060
P2090
P2178
P2124
Atom CB of residue 29
Atom ND1 of residue 68
P1733
Atom HG of residue 50
P5077
P6280
P8325
P6738
Atom H of residue 55
P3597
P7229
Atom CZ of residue 54
Atom HD1 of residue 45
P7930
P6256
P1309
P2655
Atom O of residue 38
P5653
P254
P8561
P7444
P7598
Atom HG3 of residue 29
P6504
P181
P5070
P1265
P2236
P4317
P8120
P3589
P2180
P4227
P7318
Atom OD1 of residue 60
P4008
P5237
P12044
P8547
P412
P6532
P6704
P1573
P7380
P6153
P5168
P3195
P5383
P6926
P7236
P4086
Atom HE1 of residue 45
P1406
P185
P6866
P7921
P4126
P4450
P4867
P12955
P7931
P1900
P3309
P5011
P3532
P11760
P6214
P6877
P3010
P3598
Atom CZ of residue 45
P10907
P3509
P1984
P1734
P6372
HIS
P5395
P7599
P8957
Atom HZ3 of residue 6
Atom HD2 of residue 45
P4815
P7383
P3544
P1878
P2125
P4058
P3207
P2098
P7160
P1266
P8344
P7898
P5062
Atom O of residue 66
P2179
P4078
P1414
P5654
P8562
Atom CE2 of residue 45
P5822
P6281
P2547
P4318
P8489
P5246
Atom HD22 of residue 69
P5078
P2239
P2162
Atom CA of residue 18
P6728
P7230
Atom HD11 of residue 50
P6257
P8548
P6509
P12045
P6739
P125
P3590
P4228
P5071
P387
P8121
P7445
P5238
P8326
P1574
Atom HB3 of residue 74
P4451
P7381
Atom HA of residue 3
P3152
P6154
P5169
P8345
P3196
P5384
P2230
P2680
P6927
P1426
P1962
P413
P4009
P4087
P7319
P7237
P6867
UnaryFunction16
P4127
P7384
P10908
P4933
P8488
P12956
P7932
P1901
Atom HA of residue 69
P6533
P7922
P6705
P3310
Atom HZ1 of residue 6
P3533
P11761
P6215
P6878
P3011
Atom CG of residue 38
P3510
P1736
Atom CZ of residue 45
P6373
GLU
Atom ND2 of residue 60
P5396
P7600
P8958
Atom H of residue 45
P1269
P4816
Atom C of residue 29
P6729
P3545
P5012
P4059
P3208
P5655
P5063
P7161
P1354
P4079
P2099
bonded
P6282
P7899
P4319
P5247
P2076
Atom HG2 of residue 74
P1427
P2240
P5823
P6258
P5079
P8327
P7231
P7446
P6510
ListSingletonContainer327
P2163
P2124
P2180
Atom HD12 of residue 50
P3591
P4229
P4934
P3153
P6534
P4010
P8122
P1879
P6706
P5239
P5072
P6740
P1966
P8347
P7382
ASP
P6155
P5170
P4088
P3197
P5385
Atom HZ2 of residue 6
P3534
P6928
P12046
P1270
P126
P8549
P1571
P7320
ListSingletonContainer108
P6868
Atom HD11 of residue 69
P4128
P1323
P4452
P7238
P12957
P7933
P414
Atom CE1 of residue 45
P3311
P11762
P6216
P6879
P3012
P7923
P2179
P5656
P3511
P1737
P7385
P6374
P5397
P1902
P7601
P8959
ScoreState 8
P10909
P2243
P4817
P3546
P5013
P3209
P2656
P389
Atom CE1 of residue 4
P1722
P6730
P1342
P7900
Atom HA of residue 45
Atom HB3 of residue 19
P2100
P7162
P5824
SER
P6283
P4080
P5061
P188
P4320
P5248
P2125
P155
P1412
P1271
P6259
P4060
P6507
P12047
P8491
P8348
P2077
P5080
P6741
P7232
P4089
P8123
P1697
P3592
P8550
P4011
P5240
P1575
P2164
P2181
P5073
Atom CD of residue 33
P6156
P5171
P3198
P7447
P5386
P1880
P8328
P4230
P6929
P6535
P6707
P10910
Atom HE1 of residue 45
P6869
P3076
Atom HD12 of residue 69
P4129
P2229
P153
P4454
P12958
P1967
P7934
P3312
P3535
P11763
P7321
P6217
P6880
P7383
P7239
P3013
P5657
P3512
P4937
P8490
P7924
Atom C of residue 57
P1413
P6375
Atom OG1 of residue 7
ListSingletonContainer528
P5398
P7602
P8960
P4818
P1723
P7386
P3210
P2681
P2244
P6731
P1735
Atom HD3 of residue 74
P1267
Atom HA of residue 4
P5014
Atom HE2 of residue 45
P2101
P3547
P6284
P4453
Atom CE2 of residue 45
P7163
P4321
Atom CA of residue 54
P5249
P1903
P1360
P7448
P1884
P6260
P4061
P7901
P6508
Atom C of residue 39
P418
P2091
P2078
Atom N of residue 7
P4081
P4090
P8124
P5825
P3593
P5081
P8329
P4231
P5066
P7233
P4012
P5241
P1577
P12048
P3077
P6157
P5172
P3199
P1698
P5387
Atom O of residue 57
Atom CD of residue 6
P6930
P5074
P6742
P2165
P2182
P7322
P187
P6870
Atom HB2 of residue 69
P4130
P6376
P1268
P12959
P8551
P1964
P388
P1720
P6536
P6708
P3313
P3536
P11764
P6218
P6881
P7384
P3014
P1984
P3338
P10911
P7240
P5658
P3513
P7935
P7387
Atom H of residue 45
P5399
P7925
P1361
P8961
P4819
Atom N of residue 26
P5015
P3211
P4983
P7603
P5826
P6732
P3548
P6285
P4082
Atom HZ of residue 45
P158
P4322
P5250
P7164
P8346
P1738
Atom N of residue 6
P6261
P3339
P6743
Atom C of residue 54
P1904
P1695
P2079
P7902
P1363
P3594
P4232
P5067
P2102
P2241
P127
P4013
P7449
P1892
P5242
P5082
THR
P7234
P8125
P8552
P402
P6158
P5173
P2092
P3200
P5388
P4062
P2166
P6931
P12049
Atom HD13 of residue 13
P6537
P6709
Multivariate Normal distribution 8
Atom CD2 of residue 56
P5075
P6871
P4131
P8330
P6377
P12960
P7936
P3078
P2166
P2183
P3314
Atom H of residue 74
P3537
P11765
P6219
P6882
P3015
Atom HB3 of residue 69
P5659
P3514
P1968
P6733
P416
P7323
P4455
P7385
P7241
P5400
Atom HH12 of residue 74
P7604
P8962
P10912
P4935
P4848
P7926
P3212
P3340
Atom HA of residue 45
P4091
VAL
P7388
P1356
P4083
P5064
Atom CD1 of residue 4
P3549
P6286
P5251
P8126
P5016
P160
P128
P5827
P6262
P7165
Atom CG2 of residue 14
ListSingletonContainer328
P4323
P403
P1725
P3599
P7903
P1945
P4233
P2103
P4014
P12050
P6744
P5083
P8331
Atom H of residue 56
P7235
P6159
P5174
P3201
P1357
P7450
P5389
P4063
P3538
P6932
ARG
P1
P1882
P2080
Atom N of residue 46
P2242
P6872
P1905
P364
P2093
P4132
P5076
Atom HB of residue 30
P12961
P7937
P3079
P2167
P1700
P3315
P11766
P6220
P6883
P7386
P1998
P3016
P7389
P5243
Atom CA of residue 23
P5660
P3515
P8553
P6538
P2184
Atom HH22 of residue 74
P6710
Atom HA of residue 74
P7324
P6378
P5401
P2
P7605
P5017
P8963
P4084
P7242
P4936
P4872
Atom H of residue 5
P3213
P0
P3341
P5065
P4456
P6734
P2657
P5
P159
P190
P1739
Atom HB3 of residue 59
P3550
P6287
P1515
P10913
P1726
P5252
P4092
P8560
P6263
Atom O of residue 20
P4324
P365
P7927
P8127
P5828
P3600
P4015
ILE
P7451
P1893
P7904
P6160
P5175
P6539
P3202
P5390
P6711
P5084
P4234
P6933
P6745
P7236
P1701
P5244
P2081
P4985
P3
Atom HD22 of residue 56
P4872
P8554
P6873
P1741
P4133
P2104
P7166
P12051
P12962
P7938
P3080
P1906
P3316
P1516
P3539
P11767
P6221
ALA
P5077
P6884
P3017
P390
P2094
Atom HH12 of residue 42
P8332
P4457
Atom HG12 of residue 30
P3516
P2245
P2168
P4064
P6379
P1999
P5402
P8563
P7606
P8964
P4089
P3342
P4932
Atom HD1 of residue 59
Atom CA of residue 26
P7390
P3551
P3214
P1946
P7325
P7387
P7243
P5661
Atom HA of residue 12
P4093
P10914
P1724
P8561
P2185
P7928
P5018
P4
P6735
Atom CA of residue 61
P1894
P6288
Atom O of residue 31
Atom HA of residue 56
P4325
P5253
P6264
P2658
Atom N of residue 75
Model 63
P6934
P7167
P12052
P1517
P4986
ListSingletonContainer111
P6746
P8128
P3597
Atom CA of residue 49
P7905
P4458
P189
P6161
P5176
P3203
P5391
P3540
P4085
P4235
P4016
P5854
Atom H of residue 14
P5245
P5085
P8333
P4873
P6874
Atom C of residue 26
P7237
P1742
P4134
P7452
P2105
P12963
P3081
P6540
P6712
P3317
P8965
P11768
GaussianProcessInterpolation59
P6222
P6885
P3018
P2095
Atom C of residue 31
P5078
P5662
P1560
P3517
Atom H of residue 61
P7326
P6380
P391
P5403
P4094
P1699
P2082
Atom HH21 of residue 42
P3343
P2246
P8555
P7939
P2169
P367
P3552
P4065
P1947
P1830
Atom CA of residue 46
P1969
P6736
P10915
P7388
P7244
P4823
P1907
P7929
P7391
P7607
P6289
P3215
P4326
Atom CG2 of residue 23
P5254
Atom HD12 of residue 36
P5019
P6265
P1511
Atom HA2 of residue 10
P2186
Atom CB of residue 49
Restraint 23
P8562
P8129
P7453
P4236
P2659
P6935
P7168
P4017
Atom HG23 of residue 14
P1728
Atom N of residue 11
P6908
P3598
P4459
Atom HG22 of residue 13
P6162
P5177
P5392
P7906
P3541
Atom CD of residue 64
Atom HE21 of residue 49
P12053
Atom HD3 of residue 42
P1561
P4874
P6875
P4135
P1885
P5086
Atom H of residue 46
P161
P6747
P12964
P1333
P3082
P7238
Atom HA of residue 36
P3204
P3318
P8966
P4086
P11769
P6223
P4938
P6886
P8556
P3019
P5246
P5663
P3518
P6541
P6713
P6381
P5079
Atom HG3 of residue 18
P5404
P2096
P4095
P2083
P8334
P3344
P7940
P7392
Atom N of residue 61
P3553
P3216
P2106
Atom HA3 of residue 10
P392
P2247
P2170
Atom CA of residue 11
P5020
P4066
P1527
P7327
P7389
Atom HE of residue 74
P3152
P7608
P6290
P1804
P10916
P4327
P5255
P7930
ListSingletonContainer329
P4824
Atom HG23 of residue 13
P1970
Atom O of residue 6
P1732
P6737
P6266
Atom HA of residue 31
P1948
Atom HA of residue 16
P1908
P2187
P6909
P2660
Atom HE22 of residue 49
P1702
P4237
P6748
Atom HD2 of residue 59
P4018
Atom OE1 of residue 64
P7245
P4096
P4460
P7169
P6163
P5178
P3205
P7454
P5393
P3542
P4087
Model 245
P1794
P6224
P6936
Atom HB of residue 36
P8130
Atom HE of residue 42
P7907
P1557
P4875
P6876
P366
P7931
P4136
P1886
P163
P12054
P12965
P3083
P6542
P6714
P3319
P5087
P8335
P11770
P3345
P4939
P6887
P3020
P7239
P5247
P1528
P5664
P3519
Atom N of residue 4
P3153
P6382
Atom N of residue 19
P5405
P8967
P5080
P6738
Atom CG of residue 49
Atom C of residue 35
P7170
P2097
Atom HA of residue 46
P10917
P192
P8557
P7941
P7328
P2107
P393
P3554
P6291
P3217
P1786
P7390
P7246
P4328
P2171
P5256
P7393
P2084
GeneralizedGuinierPorodFunction 36
P4825
Atom HE3 of residue 11
P6267
P7609
P1949
P2248
P8131
P1703
P5021
P4067
Atom HB3 of residue 49
THR
P1971
Atom HE3 of residue 63
Atom HB2 of residue 31
P2188
Atom OE2 of residue 64
P2661
P0
P1727
P1909
P368
P8193
P3346
P4461
P6164
P5179
P3206
P5394
P4238
P6225
P6937
P12055
Atom H of residue 17
P6749
P4019
P6853
P4088
Atom N of residue 74
P1558
P4876
Atom HD12 of residue 8
P6877
P7932
P4137
P7455
P7908
P12966
P3084
P3320
Atom HG2 of residue 42
P3543
P11771
P4940
P6888
P3021
P5248
P5088
P3520
P7240
P6383
P8558
P5406
P7394
P8968
ListSingletonContainer112
P7942
P6543
P1887
P6715
P3218
P5081
P7171
P5665
P5022
P1513
P8336
Atom O of residue 49
Atom O of residue 35
P6739
P2098
P7610
P6292
P1795
Atom HB1 of residue 46
P7247
P2172
P5257
P369
P3555
P2085
P7329
P7391
P4826
P394
Atom HD22 of residue 15
P3076
P6268
P4068
P1784
P10918
P2249
Atom OE2 of residue 24
P2108
Atom O of residue 74
Atom HA of residue 17
P4020
P1704
P1972
P8196
P8132
P6854
Atom HZ1 of residue 63
ListSingletonContainer113
P4462
P191
P6165
P5180
P2189
P3207
P7456
P5395
P3544
P1950
P4239
P1313
P2662
P6938
P1910
Atom HE22 of residue 40
P4877
P6878
P6544
P7933
P4138
P6716
P3347
P6750
P12967
P3085
P3321
P1514
P7909
P6226
P4941
P6889
P3022
Atom HA of residue 15
P5249
P12056
P5666
P1559
P3521
P4329
P5089
Atom HG3 of residue 42
P8337
P6384
Atom CG2 of residue 13
P7241
P5407
P8969
Atom HD3 of residue 63
P3219
P4090
P7172
P5082
P2176
P7395
P1888
P1547
P11772
P7330
Atom HG13 of residue 36
P1705
P3077
P6293
P10919
P8559
P7943
P5258
P5023
P164
P4827
P6740
P2099
P6269
P1785
P1796
Atom HB2 of residue 46
P7392
P7248
P395
P3556
P7611
Atom CB of residue 19
P6855
P2086
P4069
P3348
P4463
P12057
P2250
Atom HD11 of residue 43
P6166
P5181
P5396
P3545
P2663
P6939
P2109
P6751
P1973
Atom CD of residue 24
P4021
P8133
Atom CD1 of residue 3
P4240
P4878
P4330
P6879
P2190
P7934
P4139
P1951
P12968
P3086
P3208
P3322
P6227
P4942
Atom CG of residue 74
P7249
Atom CA of residue 65
P3023
P371
P7457
P1332
P5250
P7910
P6
P5667
P3522
P6545
P6717
P6385
P5408
P5090
P8970
P1567
P11773
Atom C of residue 46
P1566
P2225
P7242
HIS
P3220
P4091
P7173
P8560
P1911
P1889
P7612
P5083
P6890
Atom CA of residue 22
P6741
P6294
P8338
Atom N of residue 70
P10920
P5259
P7396
ListSingletonContainer330
P2254
P4828
Atom HG21 of residue 36
P7944
P2100
P6270
Atom HZ2 of residue 63
P1346
P1789
P1797
P3078
P5024
P7331
P7393
P3557
Atom C of residue 74
P4331
P396
P8134
P6856
P7458
P2087
P4464
Atom H of residue 13
P6167
P5182
P3209
P1706
P5397
P2664
P7
P6940
Atom C of residue 65
P4022
P1569
P162
P4879
P6880
P4140
P3349
P2110
P12058
P12969
P1974
Atom OE1 of residue 24
P1912
P3323
P4070
P3546
P6228
P4943
P7250
P3024
P2191
P7935
P5251
P4241
P5668
P3523
P6752
P7911
Atom CA of residue 70
P6386
P3087
P5409
P8971
P1952
P11774
P6891
P194
P6546
P6718
P5091
P8339
P3221
P4092
P7243
GLN
P7397
P1791
Atom HG2 of residue 54
P7174
P6295
P5084
P4332
P5260
P3558
P1546
P5025
P4829
Atom HD12 of residue 13
P2101
P1707
P6271
P7613
Atom O of residue 46
P10921
Atom H of residue 28
P8561
P7945
P3079
P7332
P2256
P6742
P1890
Atom HZ3 of residue 63
P1570
P7394
Atom O of residue 65
P4023
P2175
Atom HB3 of residue 43
P370
P6857
P6753
P6168
P5183
P3210
P5398
P3547
P1798
P6941
P397
P4242
P4880
Atom C of residue 42
P6881
P7936
P4141
P7459
P3350
Atom C of residue 70
P4465
P2111
P12970
P1975
P8135
P3324
Atom C of residue 42
P6229
P4944
P7251
P2192
P5252
P12059
P5669
P3524
P6547
Atom HG2 of residue 37
P6719
P4071
P2665
P6387
P3088
P5410
P2088
P8972
P7912
P6892
Atom HG21 of residue 22
P1709
P3222
P4093
P7175
P3025
P5261
P5092
Atom CB of residue 28
P6743
P7244
P1551
P11775
Atom HG2 of residue 19
P8562
P1913
P6296
P1953
Atom HB of residue 22
Atom CA of residue 42
Atom HG3 of residue 54
P5085
P1562
P4830
P6272
P8340
P1796
P372
P7398
P3080
P7946
P7614
P4243
ScoreState 27
Atom CB of residue 46
P193
P8136
Atom HG3 of residue 37
P5026
P7333
P7395
GeneralizedGuinierPorodFunction 57
P6858
P1891
GLU
P3351
P10922
P4466
P4333
Atom CB of residue 65
P6169
P5184
P2102
P3211
P5399
P4945
P6942
Atom CG1 of residue 17
P4024
Atom HD2 of residue 45
P3559
Atom HG21 of residue 22
P4881
UnaryFunction4
P6882
P7937
P4142
P1552
P1799
P5432
P12060
P2251
P6754
P12971
P398
P3325
P3548
P6230
P7252
P2193
P7460
P5253
P2112
P3525
P1976
P2089
P4072
P2666
P6388
P3089
P5411
P8973
Atom HG3 of residue 19
Model 10
P7913
P3223
P4094
VAL
P7176
P5671
P3026
P5262
P1914
P373
PairScore 3
P7399
Atom HD2 of residue 6
Atom H of residue 28
P6548
P6720
P5093
P1568
P8341
P11776
P6893
P5027
P6297
Atom HG1 of residue 22
P1895
P2120
P4831
P6744
P6273
P7615
P1954
Covariance1DFunction 88
P165
P5086
P3081
P7334
P4334
P10923
P7947
P4025
Atom HD2 of residue 37
P3560
P1556
P5670
P7245
P6859
P1329
P4467
P7396
Atom NE of residue 42
P6170
P5185
P2103
P3212
P5400
P5435
P4946
P6943
P8137
P3526
P4882
P6883
P7938
P4143
P1800
P3352
P12972
P3090
P1324
Atom CA of residue 64
P3326
P3549
P4244
P1790
P6231
Atom HG3 of residue 1
P6549
P6721
P5254
Atom H of residue 22
P6755
P399
P2090
P6389
P7253
P5412
P1321
P8974
P2113
P12061
P1977
P2194
P4073
P3224
P4095
P7177
P3027
P7461
P7914
THR
Atom HE1 of residue 4
P11777
P6894
ListSingletonContainer331
P1667
P1896
P5094
P6298
P2667
P2252
P7246
P5263
P1915
P7400
P4832
Atom HD13 of residue 36
P6274
P10924
Atom HD11 of residue 8
P3082
P0
P5028
P1571
P5087
P4335
Atom C of residue 19
P6745
P8342
P1955
P3561
P7948
P6860
P7616
P3353
P4468
Atom HB2 of residue 68
P6171
P5186
P3213
Atom HD3 of residue 37
P5401
P1548
P4248
P7335
P6944
P7397
P375
P4026
P12062
P3527
P4883
P6884
P4144
P6756
P12973
Atom HG21 of residue 22
P3091
P8138
Atom HD1 of residue 45
P3327
P3550
P1806
P6232
P4947
P7254
Atom CB of residue 30
P5255
Atom HA of residue 22
P5378
P2104
P6390
P5413
P7939
P7462
P8975
P196
Model 402
P400
P6550
P6722
P3225
ListSingletonContainer114
P1668
P3028
P4245
P2114
P1806
P1978
P4074
P7915
P11778
P1801
P6895
P6299
P4096
P1446
P5672
P4336
P7247
P5264
P1916
P1342
P7617
P8343
P7178
P4833
P6746
P2195
P3562
P6275
P2091
P1572
P1803
P2253
P7401
P3083
Atom HD1 of residue 68
P1956
P2668
P5088
Atom HB of residue 9
Atom CB of residue 17
P5029
P6861
P3354
P10925
P4469
P7949
P6172
P5187
Atom HE3 of residue 48
P3214
P5402
P7336
P6945
Atom HG21 of residue 7
P4027
P8139
Model 216
P1549
Atom HG1 of residue 22
P7398
P4884
P6885
P4145
P12974
P3092
P3328
P3551
P1802
P6233
P4948
P7255
Atom CG1 of residue 30
P1
P5256
P5379
P12063
P3528
ILE
P2105
P4246
P6391
P1807
P5414
P7940
P7463
P8976
P1664
P6757
P3563
P3226
P8193
P3029
P401
P6551
P6723
P11779
P6896
P6300
P1579
P7916
P2115
P2257
P1979
P5265
P7402
Atom HD3 of residue 74
P4075
P7179
P4834
Atom OG1 of residue 14
P6276
GLU
P1448
P5673
P7248
P374
P3084
P5030
P1802
P156
P4337
P1917
P2196
P7618
Atom N of residue 128
P10926
P195
Atom HD3 of residue 48
P4028
P5089
P6747
P6862
P2092
P3355
P4470
P8493
P6173
P5188
P3215
P5403
P3552
P6946
P7950
P1550
P1957
Restraint 586
P2669
P3529
P4885
P6758
P6886
P4146
P7337
Atom HD2 of residue 68
P7399
P12975
P3093
P3329
Atom HG21 of residue 22
P6234
P4949
Atom HB3 of residue 54
P7249
P5257
P5380
P8140
P4247
P1792
P6392
P405
Atom H of residue 14
P5415
Atom HH12 of residue 74
P8977
Atom HZ of residue 4
P12064
P6552
P3564
P6724
P3227
P8196
P1801
P3030
P7941
P7464
P8492
P11780
P6897
P5674
P2258
P376
P2106
P6301
P2116
P1665
P4338
P1980
P6748
P5266
Covariance1DFunction 17
P1310
P2
P7917
P4835
P6277
P1444
P7260
P3085
P4076
P157
P7180
ARG
P10927
P4029
P0
P1803
P2197
P6863
P7619
P3356
P5090
P6174
P5189
P3216
P8141
P5404
P5031
P3553
P1958
P7338
P6947
Atom HG2 of residue 54
P0
P7465
P1555
P2093
P4886
P6887
P7951
P4147
P4471
P8495
P12976
P3094
P1918
P3330
P6235
P4950
P2670
P7400
Atom CG of residue 15
P7250
P7403
P5258
P1453
P5381
P12065
P5675
P3530
P6759
P0
P377
P1793
P6393
P406
P5416
P7942
Atom HH22 of residue 74
P8978
P1445
Atom HB2 of residue 8
P3228
P7256
Atom HH22 of residue 42
Restraint 173
P11781
P6898
ListSingletonContainer332
P2255
Atom HB2 of residue 29
P8232
P3565
P6302
P2117
P1666
P4339
P1981
P3031
Atom HG1 of residue 22
P5267
P6553
P6725
P4077
P1352
P1802
P7181
P4849
P2107
P7404
P5032
P7918
P3086
P6749
P7620
Atom CA of residue 22
P4249
P1447
P6278
P1454
Atom HD3 of residue 27
P2198
P6864
P10928
P4472
P6175
P5190
P3217
P5405
P3554
P1804
P6948
P5091
P7466
P3531
P4887
Atom CG1 of residue 26
P6888
P4148
P8344
P1959
P3357
P7257
Atom HG3 of residue 54
P12977
P7952
P3095
P8142
P3331
P2094
P6236
P4951
P2671
P7251
P1919
P5259
P7339
P5382
P7401
P5676
P198
Atom CB of residue 22
P1
P1353
P6394
P5417
P6554
P6726
P8979
P1465
P6760
P3229
P1386
P12066
P4030
P11782
P6899
P4850
P7943
Atom N of residue 43
P3566
P6303
P1670
P4340
P8494
P3032
P404
P5268
Atom HB3 of residue 29
P7406
P2259
Atom HB2 of residue 49
P3087
P7919
Atom HG22 of residue 3
P1803
P1794
P10929
P7258
P379
Atom HB3 of residue 74
P6279
P1553
P5033
P1388
P2118
P7182
P1982
P6750
P2108
P6865
P4078
P8345
Restraint 61
P3358
GLN
P6176
P5191
P3218
P5406
P3337
P4250
P1805
P6949
P7467
P7621
P1455
P5092
P3532
P4888
P6889
Atom HG23 of residue 12
Atom C of residue 46
P4149
P4473
Atom CB of residue 17
P12978
P3096
P5418
P2095
P6237
P4952
P1674
P7953
P7252
P5260
P3555
P1960
P7340
P5383
P5677
Atom HD3 of residue 54
P6761
P8496
P8143
P2672
P6395
P7402
P2199
P4031
P8980
P12067
Atom CA of residue 43
Atom H of residue 12
P3230
ListSingletonContainer110
P3033
P6555
P6727
GLN
P11786
P1389
P6900
P1920
P3567
P1554
P6304
Atom CB of residue 11
P4341
P5269
P7944
P7407
P6280
P197
P2260
Atom CA of residue 33
Atom HD2 of residue 4
P3088
P7622
P4837
Atom CA of residue 13
P6751
P7920
P1795
P7262
Atom HG2 of residue 49
Atom O of residue 46
P2119
P1804
P8497
P1983
P6866
P4079
P6177
P5192
Atom HA of residue 24
P3219
P5407
P3338
P5034
P4251
P145
P6950
Atom HE3 of residue 11
P7468
P1352
P5261
P10930
P4889
P4150
Atom HA of residue 12
P3359
P4475
P5093
P12979
P3097
P5419
P2109
P8144
P1466
P11783
P6238
P4953
P8346
P3556
P1961
P1806
P5384
P5678
P7954
P2096
P6396
P7183
P7253
P4032
P8981
P7341
P12068
Atom H of residue 32
P3568
P3231
P2673
P3533
P6890
P3034
P7259
P6762
P1390
P6901
P378
P2200
P6305
Atom CA of residue 50
P4474
P1814
P4342
Atom C of residue 9
P5270
P1921
P6556
Atom HD12 of residue 50
Atom CA of residue 31
P4838
Atom HG3 of residue 49
P7945
P6281
P7403
Atom HZ3 of residue 11
P3089
P10931
P2124
Atom HB2 of residue 24
P7405
P1467
P4252
P1805
P5035
P7921
P2261
P6867
P7623
P1669
P12980
Atom C of residue 45
P5193
P3220
P5408
P6728
P11784
P1394
P6951
P7184
P6752
P5262
P8347
P4890
P4151
P3335
P4080
P3098
P4033
P7469
P3557
P1807
P6239
P4954
P5094
P6763
Atom O of residue 9
Atom CB of residue 46
P7254
P1962
P5385
LEU
Atom HA of residue 49
P6891
P2110
P6397
P7955
P5420
P6178
P8982
P7342
Atom CB of residue 42
P380
P8145
P2097
P3232
P7404
P5679
ListSingletonContainer333
P3035
P6557
P1624
P2674
P6902
P3569
P6306
P3360
ListSingletonContainer103
P4343
P5271
P1807
P1395
LYS
P2126
P4839
P2201
P6282
P6729
P3534
P6753
P7946
Atom HD13 of residue 50
P3090
P1815
P7408
Atom O of residue 60
P3336
P12069
P4034
Linear1DFunction 21
P7261
P6868
P7922
P10932
P12981
P1509
P5194
P1922
P3221
Atom C of residue 46
P5409
P4253
P11785
P6952
P7185
P7470
P7624
P4891
Atom O of residue 45
P3
P381
P8146
P4152
P5036
Atom HB of residue 12
Restraint 587
P3099
P6179
P6240
P4955
P144
P1325
P1985
Atom H of residue 46
P7255
P5263
P5386
P5680
P200
P6892
P2111
P1808
Atom CB of residue 50
P4476
P6398
P5421
P8983
P8348
P6764
P7956
Atom HA of residue 29
P3570
Atom CB of residue 60
P4081
P3233
P3361
Atom CD1 of residue 3
P7405
P3036
P7343
Atom HE21 of residue 31
Atom CZ of residue 42
P2098
Atom O of residue 3
P1963
P6903
P12070
P3535
P2262
P1
P6307
P1510
P5272
P3558
P2675
P4840
P2202
P7409
P6283
P6558
Atom HD21 of residue 50
P6730
P4344
P7947
P5037
P2
P4254
Atom HZ1 of residue 11
P4035
P3
P1829
P2123
P4892
P6754
P6869
P3091
P7625
Atom HG1 of residue 12
P2103
P5195
P3222
P5410
P7923
P6953
P7471
P10933
P1511
P4153
Atom OE1 of residue 41
Atom CG of residue 50
P1808
P7186
P12982
P3100
P6180
Atom CD of residue 62
P8349
P11788
P6241
P4956
Atom O of residue 6
P1923
P5264
P5387
P8147
P0
ListSingletonContainer105
P6399
P5422
P1617
P8984
P7344
P3536
P2112
1G6J_MODEL1.pdb
P4595
P3234
P1797
P1809
P4477
P5681
P6893
P7957
P3037
P6559
Atom N of residue 46
P3559
P6765
Atom CA of residue 45
P1986
Atom HB2 of residue 29
P4082
P1964
P3362
P6904
P7406
P7263
P2050
P6308
P7187
P12071
P4345
P5273
P3
P2099
P10934
P2676
P4841
P383
P6284
P199
P7260
P6731
P2263
P2203
P4255
Atom CA of residue 29
P7948
P4036
Atom CG of residue 60
P4893
Atom N of residue 14
P7410
P6870
P3092
Atom HE22 of residue 31
Atom HB2 of residue 45
P5196
P3223
P5411
P5038
Atom OE1 of residue 62
P6954
P7407
P6755
P7472
Atom HG21 of residue 12
P7924
Model 166
P1503
P4154
Atom HD13 of residue 71
P12983
P7626
P3560
P11789
P6242
P4957
P5265
P5388
P4478
P5682
P3537
P1618
P1830
P6400
P3101
P5423
P6181
P8985
P147
Atom N of residue 33
P6766
P1924
Atom CG of residue 33
P4649
P3235
P1810
P6894
P3038
P7256
P8350
P1987
P7958
P2113
P4083
P6905
P7264
P1819
P2051
P6309
P1798
P7345
Atom CD1 of residue 50
P7188
P12072
Atom CA of residue 14
P5274
P6560
P8662
P7411
P2100
P3363
P2677
Atom C of residue 29
P4842
Atom CD of residue 16
P6285
P8328
P1504
P2264
P4346
Atom HG2 of residue 11
P1965
P4256
P4037
Chain A
P6732
P7627
Atom HG22 of residue 12
P6756
P2204
P7949
P6871
P3093
P4479
Atom HD23 of residue 71
P5197
P3224
P5412
P6955
P7408
Atom OE1 of residue 2
P3561
Atom HB2 of residue 39
P3538
P4894
P4155
P1827
P5039
P7925
Atom HD21 of residue 71
P12984
P7257
P0
P11790
P6243
P4958
P10935
P2
Atom CD of residue 33
P4650
P5266
P3364
P5389
P5683
P7473
Atom CG of residue 62
P8351
P6401
P3102
P5424
P6182
Atom OD1 of residue 60
P8986
LYS
P1925
P382
Atom OE1 of residue 16
P1619
P3236
P1811
ListSingletonContainer334
P6895
P3039
P8663
ARG
P6906
P7265
P8329
P7959
P1505
P6733
P6310
P1799
P7346
P7189
P6767
P5275
P2114
P1351
P2101
P4843
Atom N of residue 22
P6286
P8197
P12073
P6561
P3094
ListSingletonContainer104
P4347
P1988
P1
P7412
P4084
P1966
P4257
P7258
P4038
P2265
P6872
P3365
P10936
P2678
P4480
Atom N of residue 72
P5198
P7950
P3225
P5413
GLY
P5040
P6956
P7409
P1514
Atom CA of residue 12
P2205
P7628
P3562
Atom CD2 of residue 50
Atom HD11 of residue 71
Atom HB3 of residue 39
P3539
P4895
P4156
P2
P202
P12985
P3103
P6757
P7926
P11791
P6244
P4959
Atom C of residue 33
P384
P5267
P5390
P5684
P8664
P1352
P7474
P6402
P6768
Atom CG2 of residue 13
P5425
P6183
P8987
Atom HG23 of residue 12
Atom C of residue 65
P6907
P1
P1620
P8198
P3237
P6896
P3040
P1926
P148
THR
P4596
P6311
P8352
P1800
P7190
P4348
P7960
P5276
P6562
P4844
P1812
Model 205
Atom CE of residue 33
P6287
P7347
P1812
P2115
P3095
P6734
P1832
P12074
P1519
Atom HE1 of residue 4
Atom CE3 of residue 62
P4258
P10937
P8330
P6758
P7262
P4039
P2266
P1989
P385
P7413
P6873
Atom CG of residue 15
P2102
P4085
P3366
P2679
P4481
P5199
P3226
P5414
P6957
P7410
P4
P7951
P7266
P3540
P4896
P4157
P1967
Atom CA of residue 40
P12986
P3104
P2206
P7629
Atom N of residue 13
P11792
P6245
P4960
Atom HD12 of residue 71
P6911
P5268
P5041
P5391
P8665
P6403
P5426
P6184
P8988
P5679
Atom CB of residue 36
P7475
P8353
P3238
P6897
P3041
P1520
P6769
P7259
MET
P4597
P3563
GaussianProcessInterpolation72
Atom CA of residue 21
P1339
Atom CB of residue 22
P1621
P6312
P7927
P1801
P7348
P5685
P201
P4349
P5277
P4
Atom C of residue 41
P7267
P8331
P4845
P7961
Atom CA of residue 25
P6288
P1813
P7191
Atom HB3 of residue 1
P2116
P3096
P7414
P2
P8194
P4259
P10938
P2682
P12075
P1927
P6563
P4040
P6735
Atom HD12 of residue 43
P6874
P5042
P2103
P4086
P3367
P4482
P1813
P5200
P3227
P5415
Atom H of residue 50
P6958
P6912
P1990
P6759
P7630
P3541
P4897
P5680
Atom HB of residue 12
P7952
Atom HD3 of residue 63
P7411
P2267
P12987
P3105
P1512
P2207
P11793
P6246
P4961
Atom CA of residue 72
P5269
P1968
P5392
P8666
P4158
P7476
P1802
P7928
P6404
P5427
P6185
P8989
P3564
Atom C of residue 72
Atom O of residue 41
Atom NE2 of residue 2
P3239
P1822
P5686
P6898
P3042
Covariance1DFunction 57
P146
P4598
P2684
P387
P6564
P6313
P7192
P4350
P6770
P1513
P5278
ILE
P10939
P7268
P4846
P6289
P1622
P1831
P8354
Atom HD22 of residue 50
P7962
P2117
P1810
P6736
Atom O of residue 25
Atom HD13 of residue 43
P8195
P4260
P7349
P2271
P4041
P12076
P7261
Atom CG2 of residue 36
P6875
P3097
P1333
P3368
P4483
P8332
Model 11
P5201
P1928
P3228
P5416
P1814
P6959
P7412
P1731
Atom HG2 of residue 1
P4805
P7415
P3542
P4898
P4159
P5043
P12988
P1991
P3106
P6760
P2208
P7953
P11794
P6247
P4962
P1803
P5270
P2104
P13105
P3565
P5393
Atom HA of residue 50
P1814
P5681
P1518
P8667
P7631
P1834
P7929
P6405
P6910
ListSingletonContainer335
P5434
P6186
P8990
P3240
P6899
P3043
P1969
P2685
P6771
P4847
P7477
P4599
P8355
Atom H of residue 8
P6314
P7193
P5687
P5279
Atom CD1 of residue 36
P7269
P6290
Chain A
P6565
P7416
P4351
P8333
P7963
P5202
P4261
P1811
P7350
P4042
P1636
P1835
Atom CA of residue 13
Atom CA of residue 41
P6876
P3098
P3369
P4484
P12077
P2273
Atom N of residue 18
P5428
P1929
P3229
P5417
P6737
P7632
P1815
P6960
P7413
P6761
P2118
P8210
Atom HB2 of residue 50
P10940
P3543
P4899
P12989
P11795
Atom O of residue 58
P6248
P4963
P386
P7954
P7478
P5271
P2105
P3566
P5394
P1815
P1992
P1343
P4160
P130
P6406
Atom CB of residue 58
P4868
P3107
P6187
P8991
P5682
P8668
P7930
P3241
P5688
P6900
P3044
Atom OD2 of residue 58
P2209
Atom C of residue 64
Atom N of residue 64
P5860
P1800
P4600
P13106
P7263
P5044
P6315
P7194
P4352
P5280
P2683
Atom CD1 of residue 3
P7270
P6291
P6738
P1970
P6772
P1344
Atom HE3 of residue 1
P3099
P1637
P10941
Atom CA of residue 18
P5429
P5203
P5418
Atom OG1 of residue 22
P8356
P4262
P7964
P6566
P4043
P7931
Atom HB3 of residue 50
P7417
P6877
P7354
P3370
P4485
P5861
P1728
P3230
Atom CD1 of residue 38
P6961
P7414
P12078
P2119
P8211
P13107
P3567
P3544
P4900
P8334
P4161
Atom HZ2 of residue 63
P4869
P12990
P1820
P3108
Atom H of residue 58
P7633
P11796
P6249
P4964
P1732
P5272
P3246
P5395
P5689
P5683
P6762
P1930
P7955
P8669
P5045
P1816
Atom O of residue 4
Atom HH21 of residue 42
P6407
P2268
P6188
Atom CB of residue 22
P8992
Atom O of residue 3
P7479
P1805
P6773
P6901
P3045
P2210
P1993
P4601
P2106
Atom C of residue 13
P7264
P1625
P6316
P7351
Model 285
P5281
P8357
Atom OD1 of residue 58
P1182
P6292
Atom HG of residue 50
Atom HB3 of residue 24
P6567
P3100
P1833
P10943
P7271
P4353
P5430
P5419
P1971
P4263
P7195
P1821
P4044
Atom HA of residue 21
P6739
P7932
P8335
P7965
P6878
P8199
P3371
P4486
P5862
P6763
P5204
P3231
P13108
P6962
Atom N of residue 2
P7418
P3568
P12079
P3545
P4901
P4162
ListSingletonContainer97
P12991
P3109
P11797
P6250
P4965
P1729
P2120
P5273
P5396
Atom HD2 of residue 54
Atom H of residue 14
P7415
P1312
P1931
P8670
P7634
Atom O of residue 13
P7352
P3
Atom HH22 of residue 42
P6408
Atom CB of residue 38
P6189
P7956
P1836
P5046
P8993
P3333
P1817
P5690
P4851
P6902
P3046
P5684
P7480
P4602
P0
P7265
P6317
P4354
P6774
P5282
P2211
P2107
P7272
P1994
P3101
P1626
P8200
Atom NH1 of residue 54
P10944
P2269
Atom HA of residue 58
P5436
P1353
P13109
P4264
Atom HD12 of residue 50
P7196
Atom OD2 of residue 58
Atom HG2 of residue 24
P4045
P1806
P6293
Atom CB of residue 13
P7933
P7419
P6879
P8358
P1972
P3372
P4487
P5863
P7966
Atom CB of residue 9
P5205
P6568
P3232
P5420
P6740
P6963
P3569
P7353
P3546
P4902
P4163
P12080
P12992
P3110
P6764
P7635
P11798
P6251
P4966
P8336
P5685
P5274
P5397
P7416
P5691
P8671
P6409
P1730
P6190
Atom N of residue 33
P1837
P5047
P8994
P3245
Atom HA of residue 14
P1712
P7957
Atom CD of residue 27
P7481
P6318
P4852
P6903
P3047
P1932
Atom NH2 of residue 54
P2121
P4603
Model 64
Atom HB2 of residue 58
P5283
P1818
P7273
P6569
P6294
P4107
P6775
P2216
P3102
P8359
Model 246
P1818
P5672
P4265
P1995
P4046
P1354
P1804
P6741
P2108
Atom HB2 of residue 64
P7934
P10942
P1733
P2270
P6880
Atom HD13 of residue 50
P4488
P5864
P7197
P4355
P12997
ILE
P5206
P3233
P5421
P6964
P8337
P7967
P3570
P3332
P1973
P7355
P3547
P4903
P7266
P4164
P3373
P3111
P7420
LYS
P11799
P6252
P4967
P4198
P12081
Atom CE of residue 27
P5275
P5398
P5692
P6765
ScoreState 40
P1713
P6410
P8249
P6191
P8995
P7417
Atom CA of residue 19
P5686
P7636
P6319
Atom N of residue 65
P6904
P3048
Atom C of residue 38
P7958
P1838
P5048
Atom HA of residue 5
P8687
P1355
P4604
P1734
P6776
P5284
P1933
P2122
P7482
Atom CG1 of residue 13
P7274
P7267
P6295
P4108
Atom CA of residue 68
P2274
P1808
P4266
P4199
P7198
P8242
P1996
P6570
P4047
P7421
P1819
P5433
P6881
P3103
P2128
P3374
P4489
P4356
P12998
P5207
P2281
P3234
P5422
P7935
P6965
P13110
P8360
P4595
Atom HD21 of residue 50
P10945
P5865
P3548
P4904
Atom C of residue 19
P7968
Atom NH1 of residue 42
Atom HB2 of residue 51
P4165
P6742
P7637
P2109
Atom HG2 of residue 64
P3112
P6766
P5049
P1974
P11800
P7356
P6253
P4968
P5276
P5399
P7418
P12082
SER
P6411
P8338
P6192
Atom NZ of residue 27
P7483
P8996
Atom CA of residue 33
P5694
P6905
P3049
Atom CA of residue 68
Atom C of residue 68
P5687
P7959
P8689
P4605
P2129
P1839
P6320
P5285
P2123
P2215
P4102
P4200
P7268
P1813
P6296
P1711
P4357
P1934
P6743
Atom HG3 of residue 64
P4267
P6777
P4048
P13111
P7936
P7275
P5693
P5673
P6882
P3104
P3375
P10946
P4490
P5866
P2275
P1997
P5208
P6571
P3235
P5423
GeneralizedGuinierPorodFunction 24
P1820
P6966
P1732
Atom HA of residue 11
P7422
P4649
Atom N of residue 51
P7199
P3549
P4905
P12996
Atom HG2 of residue 51
P4166
P8339
P7969
P3113
P1975
P11801
P7357
P6254
Atom C of residue 68
P4969
P8243
P5277
P2110
P5400
Atom HB2 of residue 6
P7638
P6412
P12083
P6193
P5050
P8997
Atom HE3 of residue 29
P5688
P6767
Atom CG2 of residue 13
P1714
P6906
P3050
P4103
P1332
P7419
P7484
P4606
P6778
P7960
P6321
P5674
P5286
P8672
P8489
P4201
Atom CA of residue 65
P7269
P6297
P1841
P2272
P3105
P4358
P2127
Atom CB of residue 41
P8244
P2001
Atom HB3 of residue 11
P6572
P4049
P7937
P4650
P2083
GLU
P7276
Atom HG2 of residue 42
Atom HG3 of residue 51
P6883
P1334
P5867
P5209
P3236
P5424
P6744
Atom HB3 of residue 64
P1821
P6967
P1320
P3550
P4906
P6768
P4167
P8490
P3376
P138
P4491
P7200
P3114
P1935
P7423
P0
P13112
P11802
P6255
P4970
P10947
P6558
P7970
P1807
P5278
P2111
P5401
P5695
P6907
Atom CD2 of residue 15
P1976
P7358
P6413
P6194
P8998
GaussianProcessInterpolation41
P12084
Atom C of residue 65
P7639
P8340
P3051
P5051
P4268
Atom HZ1 of residue 29
P7420
P1541
P6322
Atom O of residue 68
P5689
Atom HA of residue 51
P5287
P7961
P8673
P7485
P1715
P4202
P7270
P4607
P6298
P4191
Atom CA of residue 51
P6779
Atom CA of residue 42
P3106
Atom CG2 of residue 61
P4359
Restraint 24
P2003
P2128
P7938
P10948
P6884
P8491
P4492
P5868
P5210
P3237
P5425
P13113
P2334
P6256
P137
P6968
P7277
P5437
P4050
P7424
P4907
P6911
P6573
P4168
P6745
P3377
P3115
Atom H of residue 15
P4596
P2084
P7359
P4971
Atom HB of residue 13
P7201
P6559
Atom HG22 of residue 14
P5279
P5402
P3551
P2277
P8341
P6769
P7640
P4269
P6414
P8245
P5690
P6195
P1936
P5052
P2112
P8999
P1977
Atom CB of residue 68
P12085
P1542
P3052
P3
Atom CZ of residue 42
Atom H of residue 35
P7486
P4609
P1816
Atom CD1 of residue 15
P11803
P1716
P6323
Atom HD11 of residue 67
P7421
P5696
P4360
P7971
P5288
P8674
P4203
P7962
P6299
P4194
Atom HB2 of residue 51
P3107
ListSingletonContainer100
Atom CD1 of residue 59
P7271
P6574
P6780
Atom HA of residue 42
P7278
P6912
P4804
P6885
Atom HD2 of residue 74
P4493
Atom N of residue 1
P5211
GeneralizedGuinierPorodFunction 1
P3238
P5426
P4608
P6746
Atom HB3 of residue 15
P6257
P6969
P5438
P2126
P4051
P1350
P10949
P4908
P4169
P7939
P3378
P3116
P4
P4597
P2085
P4972
P5869
P6560
P1964
P5280
P8492
P5403
P7202
P2000
Atom C of residue 13
P7425
Atom CB of residue 11
P13114
P6415
P3552
P7972
P6196
P9000
P11804
P6770
P4105
P4270
P7360
P8246
P3053
Atom NH1 of residue 74
P1817
P2113
P2356
P12086
P5691
P1937
P7641
P1978
P8342
P5053
P6324
GLU
P4361
Atom HA2 of residue 35
P5289
P8675
P4204
P7422
P7272
P6300
Atom HG of residue 15
P139
Atom C of residue 13
P5697
P7963
P7487
P3108
P1717
Atom CD2 of residue 59
Atom HB3 of residue 51
P6886
P5218
P6575
P3239
P7426
P5427
P6970
P1534
P5439
P8493
P2276
P4909
P6781
P1965
P4052
P4170
P13115
P7940
P3379
P4494
P7279
P3117
P4598
P6258
P4973
P10950
P5870
P6561
P6910
Atom CG of residue 59
Atom CA of residue 1
P6747
P4106
P7642
P5281
Atom HZ1 of residue 33
P5404
P6771
Atom NH2 of residue 74
P5054
P6416
P7203
P7973
P6197
P1809
P9001
P11805
P113
P8343
Atom CD of residue 16
P7361
P3054
P7488
P2086
P3553
P1938
Atom HG22 of residue 66
P4271
P12087
P5698
P2114
P6325
P5692
P5212
P5290
P8676
P1979
P2357
P4205
P7273
P6301
Atom HD11 of residue 15
P7423
P3109
Atom CB of residue 39
P1718
P2279
P7964
P4610
Atom HD11 of residue 50
P7
Atom HG2 of residue 51
Atom CE1 of residue 59
P6887
P6748
P3380
P6782
Atom C of residue 35
P3240
P5434
P6971
P5440
P10951
Atom C of residue 24
P4910
P2050
P4171
P4272
P4495
P3118
P7427
P4599
P6259
P4974
P7280
P6562
P5282
P7941
P5405
P4362
P4053
P2058
P6417
P5871
P6198
P9002
P8494
Atom HG23 of residue 66
P7204
P5860
Atom HA of residue 74
P7643
P13116
P5699
P7974
P3055
Atom CD1 of residue 59
P5213
P6576
Atom HB3 of residue 62
P5055
P2087
P1535
P3554
Atom CB of residue 22
P5693
P6772
Atom OE1 of residue 16
P4871
Atom HD12 of residue 15
P11806
P7362
Atom HA3 of residue 35
P1939
P6326
P12088
P5291
P8677
P7489
P5428
P1980
P2335
P4206
P8344
P7274
Covariance1DFunction 29
P6302
P2115
Atom C of residue 6
P3110
P7424
P4611
P1810
P4273
Atom NZ of residue 6
P5861
P7965
Atom CG of residue 39
P2280
P7975
P6888
P3
Multivariate Normal distribution 27
P6783
P2051
Atom HG3 of residue 51
P3241
P6972
Atom HD2 of residue 59
Atom HA of residue 21
P5441
Atom CG of residue 73
P4911
P4363
P4054
P4172
P6749
P7942
P3381
P4496
P1933
P3119
P6577
P4600
Atom N of residue 67
P6260
P4975
P5872
P6563
P6773
P1823
P5283
P13117
P5406
P7281
P5700
P7428
Atom HG2 of residue 62
P10952
P6418
P3555
P6199
P9003
P4932
P2513
P7363
P7205
P3056
P5214
P5429
P8345
P7644
P1
P11807
Atom N of residue 36
ListSingletonContainer338
Atom CE2 of residue 59
P5056
P6327
P8496
P5292
P8678
Atom C of residue 1
P1981
P4207
P12089
P2116
Atom HZ3 of residue 11
P1536
P0
P5694
Atom CD2 of residue 59
P7490
P3111
P2088
P4612
P1811
P4274
P7425
P5862
P6303
Atom HD13 of residue 15
P2336
P1341
P7976
Atom C of residue 61
P7275
Atom CA of residue 6
P7966
P6889
ListSingletonContainer88
Atom HG2 of residue 33
P1940
P10953
P6973
P5442
P4055
P3333
P4912
P4364
P6784
P4173
Atom HG3 of residue 62
P4497
P1934
P3120
P7429
P4601
P6261
P4976
P6564
Atom N of residue 41
P6578
Atom OD1 of residue 39
P6750
P5284
P8495
P5407
P5701
P3556
P2278
LEU
P6419
P7282
P6200
P1824
P2056
P9004
P7943
P2514
Atom CA of residue 36
P6774
P7645
P5873
P3057
P5695
P5219
P5430
P0
P5057
P7206
P13118
P11808
P115
P6328
P3382
P5293
P8679
P7491
P4853
P0
P7364
P4208
P1539
P6785
MET
P2117
Atom HD21 of residue 15
P8365
P12090
Atom H of residue 40
P3112
P8346
P4613
Atom CD2 of residue 73
P4275
Restraint 180
Atom H of residue 6
P2281
P5863
P6304
P2089
P7426
P4365
P7977
P7276
P3334
P2059
P4498
P7967
Atom HB2 of residue 62
P2337
P6974
Atom O of residue 74
Atom O of residue 36
P5443
P4056
P3557
P4913
Atom HG3 of residue 33
Atom CG1 of residue 61
P1941
P4174
P6751
P1812
P5874
P3121
Atom C of residue 49
P4602
P6262
P4977
P10954
P1537
P6565
P6579
Atom CG1 of residue 3
P5285
P5408
P5702
P6890
Atom CB of residue 54
P6420
P0
P6201
P13119
P9005
P2031
P7283
P7430
P7944
P3383
P3058
P5316
P5436
Atom HA of residue 40
P6775
Atom HD13 of residue 56
Atom CA of residue 67
P11809
P7207
P1935
P6329
P4366
P8347
P5696
P5294
P8680
P4854
P7646
P7365
P4209
P6786
P1818
P6305
P5058
Atom H of residue 73
Atom HB of residue 3
P3113
P2490
P117
P12091
Atom HB of residue 26
P4614
P2061
Model 93
P4276
P5864
P4057
P7492
P1
P2090
Atom CB of residue 74
P7978
P3246
P7427
Atom CA of residue 2
P2118
P8366
P6975
P7277
P5444
P7968
P2282
P4914
P1942
P4175
P7431
P6891
P1813
P2338
P4499
Atom CB of residue 36
Atom C of residue 3
P3122
Atom O of residue 49
P4603
P6263
P4978
P6566
Atom HD2 of residue 33
Atom CB of residue 9
P5286
P5409
P5703
P10955
P6421
P5875
P1538
Atom OE1 of residue 40
P6202
P6580
P6752
P7647
P9006
Restraint 11
P6776
Covariance1DFunction 22
P5059
Atom N of residue 88
P7284
P3571
SER
Atom N of residue 2
Atom CG of residue 54
P5672
P7945
Atom N of residue 16
P8367
P11810
P3384
P5317
GeneralizedGuinierPorodFunction 58
P7493
P6330
P7208
P5295
Atom HG11 of residue 26
P8681
P4855
Atom HD21 of residue 56
P13120
P4210
P6787
P6306
P3558
P5697
P3247
P3114
P7366
P4367
P1936
P4615
P1985
P4277
P12092
P2284
GLY
Atom O of residue 4
P8348
P7278
P5865
P2079
P2119
Restraint 62
P6976
P7428
Model 286
P7979
P5445
P6581
P4059
P6753
P4915
P7969
P4176
P6892
P2491
P2339
P1
ListSingletonContainer89
P4501
P3123
P4604
P6264
P4979
P10956
P1626
P6567
Atom CB of residue 63
P1819
P5287
P1818
P5410
P5704
Atom N of residue 49
P7432
Atom HA of residue 37
P1288
P2091
P6422
P1543
P6203
Atom HD11 of residue 56
P9007
Atom H of residue 43
P1943
P5876
P3595
P5328
P1672
P13121
P8368
P7285
P4058
Atom HA of residue 1
P7648
P7946
P11811
ILE
P3559
P5433
P5060
P6331
P4500
P4368
P5698
P6777
P5296
P8682
P4856
LEU
P7367
P3385
P4211
P7209
P6788
Atom O of residue 54
P6307
P1986
P5
P118
P8349
P7494
P3115
Atom CA of residue 16
P4616
P4278
P2285
Atom CE of residue 29
P5866
P2060
P12093
P1937
P7980
P1819
P3241
P6977
P1544
P5446
Atom CG of residue 63
P7429
P4916
P4177
P1289
Atom HD11 of residue 73
P3124
P7279
P7970
Atom HD12 of residue 56
P2120
P4605
P6265
Atom HD13 of residue 3
P4980
P1760
P6568
Atom C of residue 57
P6582
P6754
P5288
Atom C of residue 10
P3386
P5411
P3596
P6893
P1627
P6423
P5877
P6778
P6204
P1820
Atom HB2 of residue 1
P9008
P2340
Atom HD22 of residue 43
P1944
P7433
P2492
P10957
P5705
Atom HD23 of residue 15
Atom CA of residue 73
P2092
P11812
P7286
P3560
P3245
P5673
P6332
P7947
P8369
Model 167
P5297
P1768
P8683
P4857
P7649
P4212
GLU
P5220
P6308
P5329
Atom HD13 of residue 50
P7210
Atom HB2 of residue 37
P3116
P13122
P1290
P4369
P6789
Atom O of residue 1
P4617
P4279
P5867
P5699
P4060
P7495
P2081
P7368
Atom C of residue 5
P7981
Atom HA of residue 43
P3387
P12094
Atom NZ of residue 29
P6978
P2283
P8350
P1938
P5447
Atom CE of residue 11
P4917
P4178
P10958
P7430
Atom CD of residue 63
P4606
P6266
P4981
Atom O of residue 57
P7280
P5289
P5412
P1421
Atom CB of residue 1
P7434
P6894
P5674
Atom C of residue 16
P2341
P4502
P6424
Atom N of residue 16
P3125
P6205
P6583
P1821
P6755
P9009
P1617
P3561
Atom O of residue 5
P6569
P1275
P5706
P2121
P6779
P7650
P11813
P2493
P5878
P3572
P5700
P1945
P7971
P6333
P13123
P4370
P5298
P8684
P4858
P7948
P2093
P4213
P6790
P3247
P5221
P1670
P6309
P5330
P8373
Atom O of residue 63
P1423
P7496
Atom OG of residue 20
P3117
P7211
Atom CA of residue 34
P4618
Atom HD21 of residue 50
P4280
P1555
P8351
P5868
P4061
Atom OE1 of residue 2
P2082
Atom HE2 of residue 11
P7369
P7982
P3388
P116
P7287
Atom HG of residue 8
P0
P6979
P12095
P1939
P5448
Atom CA of residue 54
P3562
P4918
Atom HE1 of residue 1
P4179
P3126
Atom CD1 of residue 43
P4607
P6267
P4982
P7431
P6570
P6584
P1424
P6756
P5290
P1276
P5413
P1757
P5879
P5707
P2287
P7281
P7972
P6895
Atom HG1 of residue 55
P10959
P1618
P6425
P6206
P9010
P2342
P4503
Atom HD13 of residue 44
P7435
P8374
P11814
P2494
P3573
P6334
Atom CB of residue 8
P6780
P5299
P8685
P4859
P7288
P6791
P5222
P5437
P6310
P2175
P1277
P7949
P5701
P1946
P3118
P7651
P2094
P4371
Atom HD23 of residue 67
P4619
P5318
Atom HD23 of residue 15
P4281
P4214
P7212
P1830
P13124
Atom HD3 of residue 33
Atom C of residue 54
P1769
P2062
P1327
P3389
Atom HG3 of residue 1
P7370
P6980
P3242
P8343
P5449
P1785
P12096
P3563
P4919
P5869
P4180
P6426
P8352
P1940
P7983
P3127
Atom N of residue 45
P4608
P6268
P4983
P4062
P7436
P5291
P5414
P4504
P7432
P5708
P1545
P7973
P6896
Atom NE2 of residue 40
P7282
P6207
P7497
P9011
P6571
Atom HB2 of residue 4
P1330
Atom HG21 of residue 55
P10960
P1619
P5880
Atom C of residue 64
P6585
P8686
P6757
P7652
P1273
P11815
P2495
P2343
P3574
Atom CE of residue 1
P6335
Atom O of residue 54
ListSingletonContainer90
P1758
P4372
P5300
P4860
P2176
P7289
P6792
P5223
Atom HB3 of residue 11
P5438
P6311
P13125
GaussianProcessInterpolation11
P3119
P7950
P2095
P4097
Atom CA of residue 68
P7498
P4620
P5319
P4282
P4215
P2
P5702
P6781
P1418
P7371
P7213
P1947
P4505
P8353
GLU
Atom HB2 of residue 42
P6981
Atom N of residue 41
P5450
P2063
P4920
P5870
P4181
P3390
P6427
P12097
Atom O of residue 64
P7984
P3128
P6586
P1825
P6758
P4610
P6269
P4989
P119
P2286
P6572
P8344
P5292
P5415
P5709
P3564
P1941
P6897
Atom CB of residue 54
P10961
P7433
P6208
P4063
P9012
P1274
P7283
P7974
GLN
P7437
P1620
P1546
Atom HD3 of residue 72
P8826
P3243
P11816
P2344
Atom HG22 of residue 55
P5881
Atom HG23 of residue 5
P3575
Atom CB of residue 20
P2123
P6336
P4098
P5301
P1673
P4861
P7653
Atom O of residue 74
P8370
P4609
P4216
P5224
P1419
P5439
P6312
Atom HE3 of residue 33
P5703
Atom H of residue 40
P6782
P3120
P1322
Atom CG of residue 38
P1759
P7290
P4373
P7500
P4621
P5320
P7951
P4283
P2496
Atom CB of residue 64
P7975
P1779
P2096
P6793
P3391
P4506
P7214
P13126
ListSingletonContainer92
P6982
P8345
Atom HE of residue 72
P5451
P1826
P8235
P4990
P2297
P4921
P1948
Atom SD of residue 1
P4182
P7372
P6428
P3129
P4064
P6270
P12098
P5871
P5293
P5416
P7291
P5710
P3565
P8354
P7985
P8827
P6898
P2064
P2003
P1337
P6209
P6587
P1427
P6759
P9013
Atom CD1 of residue 8
P2546
P7434
P6573
P1942
P5882
Atom CA of residue 4
P7284
P7438
P11817
P2345
P10962
P8242
P6337
P1621
P4374
P3244
P5302
P4862
Atom CB of residue 74
Atom HG23 of residue 55
P5225
P5440
P6313
P3576
P6783
P3121
P7654
P1340
P1431
P1674
P7501
P4622
P5321
P13127
P4284
P4217
P1761
Atom HH11 of residue 72
P7976
P7952
Atom CD of residue 38
P6794
P7373
P3392
P4507
Atom CG of residue 64
P5704
Atom CG of residue 1
P2097
P2497
P6983
P7215
P2299
P5452
P4065
P4922
P8355
P5872
P4183
P4987
P6429
P7986
P3130
P1780
P2051
P4611
P6271
P2005
P6574
P5294
P5417
P10963
P7292
P12099
P3566
P1949
P6899
P3
P8346
P6210
P9014
Atom CG of residue 54
Atom CB of residue 2
P7439
P8243
P2065
P1762
P7435
P5711
P6588
P1432
P6760
P4655
Atom CD2 of residue 8
P3248
P1943
P7285
P1403
P11818
P3577
P8688
P6338
P4375
P5303
P4863
P7655
P4218
P5883
P5705
P5226
P5441
P6314
P1622
P3122
P2586
ListSingletonContainer91
P4623
P5322
P4285
P2346
P4988
ListSingletonContainer342
P6784
P7977
P7499
P7953
P4508
Atom CG of residue 18
P1340
Atom CD of residue 16
Atom C of residue 44
P6984
P6795
P5453
P4066
P5418
P7216
P2038
P4923
P1675
Atom CG2 of residue 3
P13128
P2098
P3393
P6430
P8347
P3131
P1781
P1404
P4612
P2498
P6272
P6575
Model 12
P1
P5295
P7374
P7293
P5712
P3567
P4184
P6900
P12100
P5873
P6211
P6589
P6761
P4656
P9015
ListSingletonContainer93
P5884
P8356
P7987
P2066
P10964
P2288
P6785
P1950
P1425
P7436
P1944
P11819
P1763
P3578
P7286
P8163
P6339
Atom H of residue 8
P2587
P5304
Atom N of residue 68
P7440
P4864
P5323
P1405
P3249
Atom HZ1 of residue 63
P5227
P5442
P6315
Atom CD of residue 54
P3123
Atom HZ1 of residue 63
P4376
P4624
P4286
P2347
P4220
P5706
P7978
P4067
P7656
P1623
P6796
P7502
P13129
P123
P4509
P7954
P6985
P5874
Atom HB2 of residue 4
P5454
P5419
P4924
P1426
P1676
P4185
P7375
P3394
P6431
P7217
P2004
P3132
P6273
P1
P8357
P6580
P5296
P2099
P7294
P3568
P8164
P6901
GaussianProcessInterpolationRestraint 9
Atom CG2 of residue 61
P4219
P6212
P7441
THR
P4657
P9016
P12101
P5713
P2289
P3246
P8348
P7988
P6786
Atom NE of residue 45
P4613
P1764
P1945
Atom HD23 of residue 43
P2067
P11820
P10965
P5885
P7437
P3579
Atom HG3 of residue 72
P1951
P6590
P1430
P1782
P6762
P6340
Atom HZ2 of residue 63
P2499
P4377
P5305
P2
P4865
P5324
P1426
Atom NE of residue 54
ListSingletonContainer339
P5228
P5443
P6316
P2588
HIS
P3124
P7503
P4625
P4287
P6576
Atom C of residue 4
P7657
P4510
P7287
P7979
P6986
P1624
P5455
P4068
P7955
P3569
P4925
P0
P2348
P3395
P6432
Atom HG2 of residue 29
P6797
P3133
P6274
P7218
P5875
Model 220
P5297
P13130
P2100
P5420
P3
P8349
P6591
P4186
P6902
P6763
Atom N of residue 46
P6213
P4658
P9017
P7376
P7295
P10966
P12102
P5714
P6787
P8165
P4614
Atom CZ of residue 54
P8358
P7989
Atom CG of residue 19
P1677
P7442
P2068
P11821
P2500
P2039
P1334
P1388
P6341
Atom HD22 of residue 8
P120
P7438
P4378
P5306
P4866
P1427
P4221
P5886
Atom HA of residue 28
P7288
P5229
P5444
P6317
Atom N of residue 64
P2
P2290
P3580
P1788
P3125
P2589
P1946
Model 206
P4626
P5325
P6798
Atom HB3 of residue 41
P7980
P4069
P1664
P1952
P7658
P3396
P4511
Atom HG3 of residue 29
P3251
P5707
Atom N of residue 48
P4288
P6987
P6577
P5456
P7504
P13131
P1629
P4926
P4187
Atom HA of residue 8
P7956
Model 112
P2349
P6433
P3134
Atom HG12 of residue 36
Atom CB of residue 2
P6275
ListSingletonContainer340
P5298
P2101
P5421
P7219
P7296
P3570
P6903
Atom HE3 of residue 63
P5876
P6214
P1390
P4659
P9018
P7377
P2040
P5715
P6788
P6592
P1678
P6764
P2611
P4615
P12103
P11822
P2501
P5887
P8350
P7990
P3581
P8166
P1789
P6342
P1406
P4379
P5307
P7443
P4867
P10967
P4222
P7439
P7289
P5230
P5445
Atom HD12 of residue 23
P8360
Atom OH of residue 59
Atom N of residue 77
P7505
P3126
P5
P1947
Atom HB1 of residue 28
P1391
P4627
P5326
Atom CA of residue 48
P4289
P2291
P6578
P7981
P4070
P6318
P7659
P182
P2069
Atom HB2 of residue 8
P1665
P6988
P6799
P5457
P1408
ScoreState 9
P4595
P4927
P5708
P1953
P4188
P3397
P4512
P3135
P7957
P6276
P5877
P5299
Atom HA of residue 23
P5422
Atom HD2 of residue 54
P7297
P5716
P6
Atom HG13 of residue 36
P6904
P2612
P6434
P7220
Atom HG3 of residue 41
P6215
P4660
P13132
P9019
P10968
P2006
P8359
P8351
P1679
P8167
P4616
P7378
Atom CG2 of residue 5
P7444
Atom CG of residue 48
P2102
P11823
P2350
P12104
P3582
P5709
Atom H of residue 59
P6789
P6593
P1786
P6765
P6343
Atom CA of residue 52
P2
P4380
Atom HG12 of residue 36
P7991
P5308
P4933
ListSingletonContainer123
P5231
P1383
P5446
P1409
P7440
P7
P6579
P3127
Atom HB3 of residue 8
Atom N of residue 24
Atom NH1 of residue 54
P5888
P3250
P7290
P1659
P4628
P5327
P4290
P2292
P7982
ASN
P6319
P7660
P2613
Atom HD11 of residue 67
P7506
P1349
P2502
P4513
P6989
P4223
Atom ND2 of residue 25
P5710
P5458
P4071
Atom HB of residue 23
P4649
P4928
P1948
P4189
P3398
P6435
P6800
P3136
P1787
P2070
P13133
P6277
Restraint 100
P5300
Atom N of residue 49
P7958
P5423
ASP
P183
P7298
P5717
P4803
P7291
P1954
P6905
P6216
P1384
P4661
P9020
P7379
P7221
P1351
Atom HE21 of residue 41
P5878
P6790
P6594
P4
P4934
P6766
P4617
P5889
P2007
P3253
Atom H of residue 5
P2103
P11824
P10969
P1628
P3583
P6344
Atom HG of residue 8
Atom NH2 of residue 54
P12105
P4381
P5309
Atom CB of residue 7
P5332
P8352
P7992
Atom HA of residue 59
P5232
P8168
P5447
P6320
Atom HG13 of residue 36
P1680
P7445
P3128
P2590
GLU
P2351
P7441
P5711
P4629
Atom OG1 of residue 12
P2503
P4650
Atom H of residue 25
P1309
P4514
Restraint 25
P7661
P184
P6990
P6801
P4072
P7507
P4929
P4804
Atom HZ3 of residue 6
P1949
P7983
P4190
P3399
P4224
P6436
P2293
P5879
P3137
P4291
P6278
P4097
P5301
P5424
P5718
P6581
P7292
P1955
P6906
P2071
P7959
P3254
P6217
P4662
P9021
Atom CG of residue 37
Atom O of residue 52
P5459
Atom CG of residue 19
P8169
P1660
Atom HD11 of residue 8
P1361
P7222
P6791
P7446
P5336
P13134
P4618
P7299
P2363
P2008
P8353
P1394
P11825
Atom HG21 of residue 36
P3584
P6345
P7380
P5310
P10970
P5890
P12106
P5233
P6595
P5448
P6321
P6767
P7662
P7993
Atom HG22 of residue 12
P3129
P4937
P2352
ListSingletonContainer106
P4382
Atom HB2 of residue 59
P4630
P2591
P2104
P7442
P4073
P1681
P2504
Atom HA of residue 9
P4805
Atom O of residue 3
P7508
P4515
P4225
P5712
P13135
P2547
P4292
Atom H of residue 54
P6991
P4098
P4930
Atom C of residue 21
P7984
P6907
P3400
P6437
P3138
Multivariate Normal distribution 9
P6279
P1364
P4596
P5460
P5302
Atom HG21 of residue 13
P5425
P2294
P6802
P7293
P4197
P5880
P6218
P1956
P9022
P7960
P152
P2364
P1950
P6596
P6768
P2072
Atom N of residue 52
VAL
P6582
P6792
P1398
Atom CA of residue 25
P4619
P7223
P7300
P1661
P4663
P11826
P10971
P8170
P6346
P7381
P5719
P5311
P7447
P0
P5234
P5449
P6322
Model 247
P12107
P3130
P5331
P5891
P2009
P4383
Atom O of residue 21
P8354
P7994
P4631
P4983
P2592
P2105
Atom HA of residue 54
P1365
P4226
P3585
Atom N of residue 28
P4074
P1682
P7663
P2353
P7443
P1400
P6911
P3401
P4516
P6803
P3252
P6992
CYS
P4931
P4821
P5713
P6438
P3139
Atom HB3 of residue 48
P7509
Atom HD12 of residue 8
P4293
P2505
P6280
P4597
P5461
Atom HD21 of residue 71
Atom N of residue 13
P7985
P5303
P5426
Atom CE of residue 6
P2295
P6583
P7294
Atom NE2 of residue 2
P4198
Atom HG21 of residue 14
P6219
P4664
P9023
P7961
P5881
P13136
P4620
P1951
P2073
P11827
P1359
P7224
P2359
P3277
P6597
P6769
P6347
P7301
P8355
Atom C of residue 34
P5312
P1662
P4227
P5892
P1
P6793
P5235
P8171
P5450
P6323
P7382
ListSingletonContainer109
P1957
P7448
P6912
P3131
P10972
P12108
P4384
P4632
P2593
P7995
P3586
P7510
P4935
P5720
P2010
P1392
P5069
P4517
Atom HD13 of residue 3
P7444
P5714
ALA
Atom HG2 of residue 48
P7664
P4294
P2354
Atom HE of residue 54
P6993
P4822
P4075
P4193
P5060
P7986
Atom N of residue 3
P2106
P3402
P6439
P6804
P3140
P6281
P1360
P4598
Atom N of residue 24
P5304
P5427
P6584
P1683
P13137
Atom HD13 of residue 8
Atom HG11 of residue 26
P2506
P4
P5882
P6220
P1338
P9024
P7295
P5462
P7962
P4621
P10973
P7302
P2074
P4665
Atom C of residue 115
P11828
P1393
P8172
P6348
P7383
P7225
P3279
Atom HB2 of residue 52
P5313
Atom H of residue 2
P7449
P4228
P2360
P2296
P6794
P5236
P6598
P5451
P6324
P6770
P5721
P1952
Atom O of residue 34
P3132
P9
P4385
Atom HG3 of residue 48
P4633
P2594
P4295
P12109
Atom HG22 of residue 13
P3587
P1958
P4076
P4194
P1667
P4936
P7665
P5893
P2011
P8356
Atom CG2 of residue 17
P7996
P5070
P154
Atom HA of residue 26
P4518
P6994
P7445
P4836
P6910
P7511
P5062
P2355
P3403
Atom HH11 of residue 54
P6440
P6282
Atom HB of residue 14
P4599
P5715
P5305
P2107
P5434
P6805
P6585
P7296
Atom HG12 of residue 26
P3141
P6221
P7987
P9025
P2300
P5463
Atom HB3 of residue 1
Multivariate Normal distribution 40
Atom HB3 of residue 52
P4622
P1684
P4666
P7963
P11829
P2507
P5722
P5883
P6599
P4872
P6771
P6349
P13138
P5894
Atom H of residue 17
P5314
P0
P2075
Atom HD21 of residue 8
P4655
P10974
P4229
P7226
P10
Atom HG23 of residue 13
P5237
P5452
P6325
P7303
P8357
P2093
P3133
P8193
Atom CD of residue 42
P4386
P6795
P8173
P4634
P2596
P7384
P3588
P1959
P4077
P7450
P5428
P12110
P2365
P3255
P5716
Atom HD2 of residue 48
P5071
P4519
P1953
P7997
P4296
P6995
P7446
P5063
P7666
P2677
P2359
P3404
P6441
ListSingletonContainer347
P6806
P4806
P7512
P6283
P4600
Atom CG2 of residue 3
P5860
Model 65
P5306
P5723
P6586
Atom N of residue 53
P5884
Atom CG of residue 29
P7297
Atom N of residue 72
P2595
P2012
P3142
P6222
P1536
P9026
Atom C of residue 4
Atom CG1 of residue 61
P5464
P7988
P4656
P4623
P2108
P8174
Atom HG2 of residue 1
P2094
P4667
P11830
P7451
P4873
P6350
P7964
P1327
P2301
P5315
P1685
P2508
P6796
P5238
P5861
P1666
P5453
P6326
P5429
P7227
P19
P3134
P2076
Atom O of residue 12
P10975
P8196
P7304
P4387
P6600
P4635
P6772
P7667
P7385
P6996
P4230
P3589
P4078
P5072
P3405
Atom HG11 of residue 26
P4520
P12111
P3256
P8358
P7998
P7513
P1374
Atom CG2 of residue 5
P1954
P5717
P1650
P2678
P6442
P5895
P7447
P4807
P3143
P1960
P9027
P6284
P20
P4601
P5061
Atom CG of residue 74
P5307
Atom HA of residue 27
P5724
P6587
P7298
P1537
Atom OD2 of residue 52
P6223
P2362
P6807
P5465
P4657
P5885
Atom HB3 of residue 71
P7989
Atom HD23 of residue 8
P4624
P4297
P2298
P6601
Atom OD2 of residue 58
P6773
P4668
P11831
P2013
P4874
P6351
P5855
P7965
P2509
P10976
P126
P4231
P5239
P8175
P2095
P5862
P5454
P6327
P2109
P5430
Atom CB of residue 62
Atom CD of residue 29
P1686
PairScore 13
P7452
P1653
Atom HA of residue 18
P3135
P7228
P4388
P4636
P6997
P7305
P8359
P3590
Atom O of residue 7
P2077
Atom HB3 of residue 54
P8178
P5896
P6797
P7386
P3406
P4521
P7668
P12112
ListSingletonContainer343
P4079
P5073
P6808
P7999
P2597
P6443
P3257
P3144
P6224
P1961
P1535
P9028
Atom C of residue 28
P6285
P7448
P4602
P1955
P5718
P2
P5308
P2657
Atom HG2 of residue 27
P5725
P6588
P7514
P4298
P5466
Atom HE3 of residue 63
P2358
P4658
P5066
P4808
P5857
P4625
P2801
Atom OE1 of residue 7
P7299
P7990
P4669
P11832
P2014
Atom C of residue 15
P5886
P1699
P4875
P6352
P6798
Atom H of residue 58
P4232
P5240
P6602
P5863
P5455
P6328
P6774
P7966
P5436
Atom HD13 of residue 23
Atom HD11 of residue 69
P1687
P3136
P1185
P2510
P2237
P4389
P8176
P4637
P2110
Atom HG22 of residue 23
P7387
Atom CG of residue 62
P7229
P3591
P2096
P7453
P2078
P10977
P8179
Atom C of residue 39
P5897
P7306
P5074
P4522
P11
Atom CB of residue 7
P7515
P6998
P4080
P12113
P5719
P7669
Atom N of residue 9
P2598
P3407
P6444
P8360
P8000
P3145
Atom C of residue 1
P6225
P1831
P6286
P4603
P1956
P5309
P2658
Atom HG3 of residue 27
P7449
P5726
P6809
P4809
P6589
P3258
Atom CG1 of residue 5
P1962
P9029
Atom HG2 of residue 54
P2802
P8214
P5467
P4299
P4659
P5067
Atom O of residue 14
P5887
P1648
P1700
P4626
ListSingletonContainer95
P7300
P1538
P4670
P11833
TYR
Atom N of residue 24
P2249
P7991
P4876
P6353
P1186
P10978
Model 168
P4233
SingletonScore 2
P5241
P8177
P5864
P5456
P6329
P5672
P5829
P7454
P3137
P1327
P7967
P2511
P2015
P4390
P6799
P6603
P6775
P2111
ListSingletonContainer341
P3592
Atom HZ2 of residue 63
P8180
P7230
P5075
P3408
P4523
P7307
P1688
P4638
P7670
P6999
Atom O of residue 39
P5898
P2097
P7388
Atom HG3 of residue 54
P127
P4081
Atom OG1 of residue 7
THR
P2599
P6445
P12114
P5064
Atom OG1 of residue 14
P3146
P1654
P7516
P6287
P4605
P8001
Atom HD13 of residue 69
P1539
P5310
P2659
P1187
P2251
P4810
P6590
P3259
Atom HA of residue 58
P7450
P1957
P5720
P6226
P2127
P9030
Atom CA of residue 59
P6810
P5468
P4660
P5727
ListSingletonContainer346
P4627
P2335
P1963
P4671
P4300
P11834
P0
P1615
P8215
P4877
P6354
P1832
Atom CG2 of residue 12
P5899
P2728
P7301
P7992
P4234
P4604
P5888
P5242
P6604
P5457
P6330
P6776
P5830
P3138
Atom HZ1 of residue 33
Atom HB2 of residue 54
P10979
P4391
Atom O of residue 9
Model 412
P5865
P1695
P7968
P5433
Atom N of residue 39
P3593
P1190
P8181
P128
P2016
P6800
P1331
P1689
P5076
P2112
P4524
P7231
P7455
P4639
P7000
P7308
P5065
P5721
P1655
P7389
P4082
P2600
P4301
P3409
P6446
P8493
P3147
Covariance1DFunction 24
P2512
P6288
P12115
P2098
P7671
P5311
P2660
P6811
P4811
P6591
P3260
P8002
P7517
P6227
P9031
P7451
P5889
ListSingletonContainer12
P5469
P4661
ListSingletonContainer98
P5728
P36
Atom HA of residue 1
P1958
Atom CA of residue 34
P4628
P7302
P4672
P11835
P1616
Atom H of residue 5
P8201
Atom HD23 of residue 69
P4878
P6355
P5900
P2729
P1540
P1824
P4984
P8492
P1964
P7993
P7456
P5866
P5458
P6331
P1202
P5831
P3139
Atom HD21 of residue 43
P4392
P6801
P4640
P4302
P5673
P4235
P2017
Atom HE3 of residue 33
P3594
Atom CD1 of residue 3
P7969
P10980
P8182
P2238
P6605
P6777
P2080
P7672
P4525
P134
P7001
Atom HG2 of residue 51
P7232
P5243
P4083
P1690
P2113
Atom N of residue 59
P7309
P1696
Atom CA of residue 9
Atom HZ3 of residue 33
P2601
P3410
P6447
P3148
P7518
P5077
P2240
P2515
P7390
P6289
P4606
P5722
Atom HD22 of residue 69
P5312
P2661
P12116
P4820
P1153
P75
P8003
P6228
P9032
P1204
P11836
P3098
P5470
P2099
P7452
P5729
P6592
Atom HD2 of residue 42
P4629
P6812
P4673
P5674
P3261
P1959
P5890
P8202
P4879
P6356
Atom CB of residue 37
P4662
Atom HD23 of residue 43
P5901
P2731
Atom HG2 of residue 63
P6606
P8216
P1651
P6778
P4985
P1541
P5867
P6332
P1146
P7303
P5832
P7994
P3140
P1825
P10981
P4393
P4812
P4641
P4303
P4236
Atom HZ1 of residue 33
P3599
P3
P5244
P1965
P3
P4084
Atom H of residue 3
P7457
P76
P7970
P3411
P4526
P2018
Atom NH1 of residue 42
Atom H of residue 69
P1188
Atom HG22 of residue 5
P7002
Atom HG3 of residue 51
P1612
P2239
P6802
P5459
P7391
P7233
P2730
P1697
P7673
P2602
P6448
P7310
P3149
P1691
P5078
P2114
P2516
P6290
P6813
P1148
P5313
P2662
P8183
P3124
P1324
P8495
Atom HH12 of residue 74
P12117
P4
P5723
P6229
Atom NZ of residue 33
P9033
P11837
P4607
P8004
P5471
P2100
P7519
Atom CB of residue 10
P4663
P5730
Atom HE3 of residue 33
P4630
P7453
P4674
P3262
P8203
P4880
P6357
Atom HB2 of residue 2
P2241
P5902
P6593
P1960
P5891
P5868
P6333
Atom HG23 of residue 5
Atom CA of residue 26
ListSingletonContainer365
P6803
P5833
P1826
P4938
P4394
P4813
P8494
P7304
P6607
P7995
P8217
P4642
P6779
P1189
P4304
P4237
P3600
P5245
P1542
P4085
P5460
Atom HE2 of residue 6
P3141
VAL
P5437
Atom HA of residue 3
P7458
P10982
P7003
P1966
P8184
P2019
P1652
P7520
P2603
P3412
Atom HA of residue 51
P4527
P1613
P6449
P7234
P3150
Atom HH21 of residue 74
P1692
P1701
P2541
P6291
P7311
P5724
P7674
P5314
P2663
Atom HZ1 of residue 33
P5079
P2115
P7392
P6230
Atom HE2 of residue 33
P9034
Atom CG of residue 37
P7971
P12118
P6814
P5472
P3096
P5731
P2240
P6594
P8005
P0
Atom CD of residue 2
P4631
P4608
P4675
P11838
Atom CA of residue 80
P7454
P1132
P5892
Atom HA of residue 43
P2101
P4881
P0
P6358
VAL
P4664
P1961
P6334
P10983
P5903
P3263
P8497
P8204
P5834
P1827
P2732
P4939
P4395
P4814
P1656
P4643
P2242
P4305
P7305
P7996
P7459
P5461
Atom H of residue 33
P4238
Atom HE21 of residue 40
P6804
P6608
P5869
P3142
P6780
P3413
P5438
P4528
ListSingletonContainer356
P3597
Atom N of residue 75
DihedralSingletonScore9
P1441
P7004
P1618
P5246
P4087
P7972
P8185
Atom HB3 of residue 11
P2020
P7675
P2604
P6450
P3156
P1693
P5080
P2542
P6292
P7235
P1967
P3
P5315
P2664
P7312
P8498
Atom HB2 of residue 11
P7521
P2116
P7393
Atom N of residue 125
P6231
P8218
P9035
Atom HD11 of residue 43
P5473
Atom HB3 of residue 24
P6359
P3125
P12119
P5732
P5725
Atom OE1 of residue 2
P4632
P4609
P6815
P8006
P4086
P4676
P11839
P2241
P4882
P4665
P5904
P7455
P6595
Atom CB of residue 5
P4
P1962
P6335
P8205
P5835
P2102
P3143
P4940
P4396
P4815
P1133
P5893
GLY
P6609
P4644
Atom CD of residue 37
P4306
Atom O of residue 52
P10984
P3128
P1620
P2733
Atom CA of residue 41
P7306
P7997
P5870
P1702
P1443
P2243
P3414
P5439
P3598
Atom HG23 of residue 22
P7005
P3264
P6805
P5247
P4
P1657
P5462
P7973
P1828
P4239
P2021
P7460
P2605
Atom HG23 of residue 9
P6451
P3332
P5726
P8219
P6781
P5
P6293
P5855
P2665
P8186
P7236
ListSingletonContainer348
P1134
JeffreysRestraint_P0
P2117
Atom CB of residue 52
P7313
ARG
P6232
P1968
P1
P7676
P9036
P3126
P6816
P5474
P7522
P5081
P1457
P6360
P7394
P5733
P6596
P1694
P4633
P12120
P4610
P5894
Atom HG2 of residue 24
P4677
LEU
P11840
P1492
Atom CG of residue 11
P4529
P2242
P8496
P1967
P8007
Atom N of residue 41
Atom NE2 of residue 2
P4883
P4666
P5905
P3152
P7456
Atom HD12 of residue 43
P6336
P1135
Atom HG23 of residue 23
P8206
P5836
P1703
P3144
P4941
P4397
P4816
P4645
P4307
P1658
Atom CG of residue 52
P4240
P2734
P6806
P2103
P2244
P3415
P5440
P7307
P7998
P7006
Atom HA of residue 58
P5248
P6610
Atom HB3 of residue 2
P5871
P5463
P6782
P7677
P5857
P1490
P1829
Atom HG2 of residue 40
Atom N of residue 23
P5082
P1419
P2606
P1617
P6452
Atom C of residue 125
P3265
P1968
P8220
P7461
P7974
P6294
P1136
P4088
P2666
P8187
P17
P2022
P6597
P3154
P7523
P7395
Restraint 63
P7237
Atom HD22 of residue 43
P6233
P9037
Atom CA of residue 73
P7314
P5475
P4667
P5734
P463
P1695
P4634
P4611
P3153
Atom HB of residue 55
P4678
P11841
P4530
P12121
P2243
Atom HD3 of residue 74
P4884
P1416
P6361
P2118
P3099
P5906
P4398
P6817
P8008
P7975
Atom HD13 of residue 3
P5727
P1969
P6337
P7457
P18
Atom HD11 of residue 23
P8207
P1797
P5837
P6611
Atom HE2 of residue 1
P3145
P4942
P4817
P8365
P4646
P2
P4308
P4241
Atom HB2 of residue 58
Atom C of residue 22
P1491
Atom N of residue 7
P2735
P5872
P3416
P5441
P1484
Atom HG of residue 15
P10985
P7007
P5895
P7308
P5249
P7999
P5464
P6783
P2104
Atom CB of residue 119
P2607
P3266
P3155
P6807
P7462
P2245
P6295
P7678
P2667
Atom OD1 of residue 52
P8188
P5735
P5083
P6453
P6818
Atom HD11 of residue 8
P6234
Atom HG1 of residue 55
P4089
P8221
P1388
P5829
P9038
P1833
P7238
P5476
P1417
Atom O of residue 62
P7315
P5728
P1485
P4635
P4612
P7524
P4679
P11842
P7396
P3100
P2023
P4885
P6362
P2119
P4668
Atom O of residue 12
P4531
P12122
P12
P1798
P470
P7976
P2146
P4242
P8009
P6338
P8208
P3076
P5838
P1474
P1696
P3146
P7458
P4943
P4399
P4818
P5896
P8214
P4647
Atom C of residue 73
P5907
P6808
P1970
Atom N of residue 14
P2736
P6598
P6612
P1486
P1834
P3419
P5442
Atom HB3 of residue 58
P2244
P1389
P4309
P7008
Atom HG21 of residue 5
P5250
P5465
Atom HD23 of residue 8
Atom C of residue 97
ListSingletonContainer344
P8366
P2004
P7309
P8000
P7463
P2608
P10986
Atom CB of residue 62
Atom HG21 of residue 55
P4090
P5873
P6784
P6296
P1475
Atom CA of residue 28
Atom HE3 of residue 1
P7525
P2669
P1418
P8189
P2105
P2246
P6454
P6235
Atom CB of residue 32
P8222
P7679
P5830
P9039
P5477
P1496
P5084
P3417
P7239
P5736
P3267
P5729
P471
P1390
P4636
P7316
P4613
P6819
P4680
P11843
P7397
P2024
P4886
P6363
P4669
Atom CG2 of residue 23
P10987
P4532
P4400
P8367
P3077
P7977
P1494
P1835
P3101
P4243
P12123
P21
P1476
P6339
P2668
Atom OD2 of residue 52
P8209
P8010
P5839
P1697
P3147
P6785
P2120
P4944
P4819
P1367
P5897
P4648
P4310
P5908
P7459
P4091
P5874
P2737
GeneralizedGuinierPorodFunction 59
P5443
Atom CG of residue 1
P1792
P8215
Atom O of residue 122
P7009
P6809
P5251
P1971
P6613
P5466
P10988
Atom N of residue 59
P7464
P2609
Restraint 12
P7310
Atom HG22 of residue 55
P8001
P6297
P13
P6599
Atom CB of residue 33
P7680
Atom CG of residue 4
P8190
P1376
P5085
Atom O of residue 73
P6455
P6236
P8223
Atom C of residue 2
P5831
P9040
Atom CA of residue 8
P5478
P1473
P7526
P1420
P2247
P0
P3418
P2106
P4637
P7240
P4614
P4681
P11844
Atom CA of residue 62
P7317
P3268
P8368
P5730
Atom CG of residue 32
P4887
P0
P6364
P4670
Atom CD1 of residue 23
P4533
P4945
P6820
P7978
P7398
P14
P6340
P12124
P5840
P1384
P3148
P6786
P1507
P3102
P4401
P4848
Atom C of residue 72
P8011
P3078
P4653
P10989
P2025
P464
P1467
P4092
P7460
P5737
P2246
P2738
P1377
P5898
P6614
P5444
Atom CD of residue 6
P5909
P8201
Atom CB of residue 122
Atom CB of residue 73
P4311
P7010
P4244
Atom O of residue 50
P6600
P5252
P5875
P5467
P2121
P2610
P8216
ListSingletonContainer345
P5731
P6810
P1698
Covariance1DFunction 58
P6298
P7311
P1972
P8002
P7465
P2670
P1421
P8191
Atom C of residue 62
P1793
P6456
P6237
P8224
P1474
P5832
P4682
P9041
P5479
P1385
P2248
P7681
P4638
P4615
P6821
P5899
P7527
P5086
P11845
P7399
P7241
Atom HA of residue 5
P3269
P2107
P4888
P6365
P4671
P4534
P7318
P4946
P4402
P1495
P8369
P6341
P5738
P6601
Atom HD1 of residue 59
P5841
P3149
P6787
Atom HZ1 of residue 29
P7979
P4872
P3079
P2613
P1468
P4654
P3
P5910
P8012
P4093
P1394
P1422
P2677
P3103
P2739
P1365
Atom N of residue 6
P7466
P3420
P5445
Atom H of residue 1
P2026
P465
P8202
P10990
P7011
P6811
P5253
P5468
Atom CA of residue 66
Atom H of residue 52
P15
Atom CG of residue 73
P12125
P5732
P6615
P1475
P5876
P7682
P2122
P6299
P5087
P8192
P1794
P7312
P8003
P8217
P4312
P4245
P6457
P7461
P2247
P6238
P8225
P5833
P9042
P2722
Atom CB of residue 50
P5480
P1973
P1699
P7528
P1530
P2671
P2249
P5739
P4639
P4616
P6602
P5900
P2614
Atom HG23 of residue 5
VAL
P1397
P4683
P1423
P11846
P16
P1366
P1328
P4889
Restraint 53
P6366
P4672
P4535
Atom CA of residue 3
P7242
Atom N of residue 72
P1506
P1469
P7980
P7319
Atom CG2 of residue 61
P8212
P6342
Atom CE1 of residue 53
P6822
P5842
P3150
P6788
P7400
P1330
P4947
P4932
Atom HB2 of residue 68
P3080
P1476
P12126
P6616
P4094
P2678
Atom C of residue 66
P3104
P2740
P8013
Restraint 26
P2108
P4651
Atom HZ2 of residue 29
P5446
P2027
P3270
P8203
P7012
P7462
P1375
P1333
P5254
P5877
P5469
P6
P4536
P5911
P466
P7467
P4313
P3421
P10991
P4246
P5733
P1398
P2723
P2123
P6300
Atom CG of residue 50
Atom HA of residue 6
P4403
P6812
P1470
Atom HA of residue 52
P8399
P6458
P5740
P7313
P6239
P8004
P8226
Atom CA of residue 7
P1531
P7683
P5834
P1424
P9043
P1507
P5481
P5088
P2248
P6823
P1477
P4640
DihedralSingletonScore5
Atom HA of residue 41
P4617
P5901
P1700
P2672
P11847
ListSingletonContainer354
P8213
P1795
P1974
P4890
P6367
Atom CD1 of residue 73
P4673
P8371
Atom CA of residue 72
P7529
P7981
P2250
P7243
P7320
P5843
P3156
P7401
P5912
P4948
Atom HB3 of residue 68
P3081
Atom CB of residue 19
P8218
P12127
P6603
Atom HE1 of residue 59
P4095
Atom CG of residue 44
P6343
P6789
P3105
P2741
P4823
P4652
P5447
P4247
P8014
P6813
P4684
P1425
P4314
P2654
Atom O of residue 66
P10992
P7013
P7463
P5255
P6617
P5470
P4404
P1471
P2109
P3422
Atom HB2 of residue 52
P2252
P8370
P5734
P8204
P6301
P3271
P467
P7468
P7
P4537
P2028
P1800
P2606
P1478
P5878
P1392
P8400
P6459
P6240
P8227
Atom O of residue 2
P7530
P5835
P9044
P11851
Atom O of residue 24
P7314
P5482
P8005
P3
Atom HB2 of residue 33
P7684
Atom CD2 of residue 73
P4641
P2124
P4618
Atom HD12 of residue 71
P5902
P4193
P1701
P2673
P5089
Atom HE2 of residue 59
P1480
Atom CA of residue 45
P4891
P6368
P2251
P4674
Atom HA of residue 4
P6824
P1426
P7982
P2679
P8219
P6604
Atom N of residue 31
P6344
P7244
P5844
P1975
P3242
P6790
Atom HB2 of residue 41
P7321
P5741
P4949
P8373
P3082
P1525
P4315
P4248
Atom NH2 of residue 72
P0
P7402
Atom CA of residue 19
P2742
P4405
P1393
P5448
Atom HB3 of residue 52
P5913
P12128
P5879
P2655
Atom CB of residue 66
P7014
P2274
P8015
P1500
P5256
P1487
P4096
P5471
JeffreysRestraint_P0
P4824
P7469
P1479
Atom HB3 of residue 33
P3423
P8401
P7464
P6814
P6618
P8205
P4685
P6302
P3106
P3272
P10993
P4539
P1350
P5735
P2110
P1427
P6460
P4194
P1805
P6241
P468
P8228
P3601
Atom HD12 of residue 15
P7685
P5836
P9045
P33
P2029
Atom CB of residue 24
P5483
P2607
P4892
P5090
P11852
Covariance1DFunction 76
P12129
P6605
Atom HD1 of residue 68
P7315
P8006
P2680
P4642
P4619
Atom HZ1 of residue 6
P7531
P2674
Model 426
P6369
Atom H of residue 73
P2125
P4675
P7465
P5742
P4406
P5903
P1702
P8220
Atom H of residue 72
GLN
P1501
P1488
P6345
P2252
P4538
P6825
P5845
P1480
P6791
P7403
Atom N of residue 53
P4950
P3083
P4316
P4249
P7322
P8193
P3154
P7983
Atom HB3 of residue 41
P2743
P1976
P1428
Atom HG2 of residue 33
P2653
P3424
P5449
P10994
Atom H of residue 7
P4686
P2656
P7015
P5257
P6619
P5472
P3602
P5914
P4825
P8016
P1526
P8402
P7245
P5736
P8206
P5880
P6303
P3107
P1489
P8372
Atom HD2 of residue 68
P6815
P6461
P3273
Atom HA of residue 8
P6242
Atom NZ of residue 48
P8229
P7470
P1765
P5837
P9046
P2030
P4109
P5484
P2608
P4893
Atom HD22 of residue 73
P12130
P6606
P469
P2111
P4643
P11850
P5743
P2250
P4620
Atom HA of residue 72
P5904
P1502
P7316
P8007
P7686
P1429
P6370
P2126
P4676
P7466
P4407
P6826
Atom HA of residue 29
P7532
P5091
P3
P4250
P1799
P1477
Atom HB2 of residue 15
P5846
P1703
P3604
P6792
P2654
P4951
P3084
P8221
P2253
P7246
P0
P8196
P3155
P6346
P4687
P7984
Atom CA of residue 53
P7323
P2744
Atom HA of residue 73
P5450
P5915
P4317
P7404
P2657
P7016
P5258
P1977
P7471
P1497
P5473
P2811
P4826
Atom HA of residue 7
P1428
P3425
P10995
P8017
P5737
P6816
Atom HE2 of residue 48
P8207
P1766
P6304
P3603
P1430
Linear1DFunction 22
P35
P6607
P6620
P5881
P7687
P6462
P5744
P6243
P1478
P8230
P5838
P5092
P9047
GaussianProcessInterpolationRestraint 28
P4110
P5485
P2609
P8403
P4540
P12131
P4089
P3274
P4644
P3108
P1408
P4621
Atom HB2 of residue 72
P5905
P1503
P7533
P1527
GLY
Atom HB3 of residue 15
P7317
P8008
P4894
P6371
P9744
P4677
P7467
Atom HB2 of residue 29
P2112
P4251
P8375
Atom H of residue 48
P6347
P5847
P8285
P474
P2130
P2031
P4952
P3085
P1
P8222
P2254
P4318
P7405
P7247
P6827
P1704
P4688
P1431
P2745
P3426
P5451
P7324
P4408
Atom HB3 of residue 18
Atom HE of residue 42
P1479
P6793
P1430
P7985
P2658
P7017
P5259
P5474
P2614
P9745
P4827
P8404
P1409
P5738
P8208
P5882
P6305
P5916
P8018
P1978
P7472
P1533
P10996
P6608
P8286
Atom HB2 of residue 73
P6463
P5745
P6244
P6621
P8231
P1487
P5839
P9048
P34
P8374
P4111
P6817
P5486
Atom HA of residue 48
P4678
P12132
P7688
P4645
P2131
P4622
Atom HD3 of residue 38
P5906
Atom C of residue 4
P0
Atom CG2 of residue 7
P5093
P1432
P4541
P1356
P6828
P3275
Model 13
P1760
P3605
P4895
P6372
P1410
P7468
P7318
P8009
P4689
P2805
P4252
P2610
P6348
P3109
Atom HB3 of residue 29
P5848
P2113
P7534
P4953
P4409
P8287
P8223
P2255
P4097
P7986
P5917
P2746
P1513
P9746
P5452
P7248
P3086
Atom HH11 of residue 42
P1705
P1488
P6794
P4319
P2659
P7018
P7325
P2032
P5260
P5475
P2615
P4828
P6818
Atom HB3 of residue 73
P7406
P3427
P10997
P8405
Atom HG13 of residue 5
P8209
P6306
Atom C of residue 9
Atom N of residue 62
P1424
P6609
P4655
P8019
P6464
P5746
P6245
P6622
P7473
P5840
P1433
P9049
P4543
Atom N of residue 39
P4112
P5739
P5487
P1979
P3
P5883
Atom HG23 of residue 7
P4679
P7249
P7535
P4690
P4646
P2132
P1445
P4623
Atom HB2 of residue 48
P12133
P3276
P472
P3606
P4896
P1539
P7689
P6373
1G6J_MODEL1.pdb
P2806
P5094
P4253
P7319
P2611
P8010
P6349
P7469
P6829
P5907
P5849
P4954
P4410
P3087
P1761
P8224
P4320
P5261
P8282
Atom NH1 of residue 42
P4542
P2747
GLN
P2114
P1440
P9747
P5453
P3110
P4098
Atom HB3 of residue 39
P1706
Atom C of residue 3
P7407
P2660
Atom C of residue 53
P7019
P5476
P2616
P1400
P5918
P7326
P4829
Atom CA of residue 59
P5884
P6795
P7987
P2256
P8406
P1446
P2033
P4656
P1434
P6307
Atom CA of residue 39
P7474
P6610
P6819
P6623
P6465
ListSingletonContainer364
P8020
P1508
P6246
P5841
P9050
P10998
P4113
P5740
P5488
P1980
P8283
P7250
P12134
P1337
Atom HG2 of residue 38
P7690
P4691
P2812
P5747
P4624
Atom HG1 of residue 55
P5095
P4099
P3280
P473
UnaryFunction15
P4897
P6374
Atom HG of residue 73
Model 419
P3428
P4680
P7470
P4411
Atom CA of residue 62
P7536
P1532
P4647
P4254
P6350
P1399
Atom HE21 of residue 40
P5908
P7320
P5850
P8011
P4955
Atom C of residue 59
P3088
P1435
P8225
P6830
P5262
P1447
P2748
P8284
P1762
P3607
P1443
P9748
P5454
P2649
P1707
P6796
P4322
P2661
P7020
P5477
P2617
P10999
P3111
Atom O of residue 32
P4830
Atom N of residue 40
P419
Atom HB2 of residue 38
P2115
Atom H of residue 7
P2257
P8407
P7327
P54
P2034
P4657
P7988
P6308
P5919
Atom HG3 of residue 63
P1509
P7408
P6624
P5885
P4544
P6466
P5748
P6247
P5842
P9051
P4100
P4114
P8021
P6820
P5489
Atom HD11 of residue 73
P7251
P12135
P6611
Atom HD23 of residue 71
P1
Model 429
P7475
P4692
P3059
P1436
P4321
ARG
P4625
P5741
Atom HG12 of residue 3
Atom HG21 of residue 55
P1981
P4
P4898
P6375
P4681
P7471
P4412
P4648
P4255
P8323
P6351
P7691
GaussianProcessInterpolationRestraint 41
P6831
P5851
P2650
P7537
P3608
P3429
P4956
P7321
P420
P8012
P8226
Atom HB2 of residue 39
P5909
P1425
P1401
P1443
P2749
P5455
P3089
P8288
P2662
P7021
P5263
P1763
P5478
P2618
P3112
P5920
P4090
Atom CB of residue 32
P4831
Atom C of residue 62
P8212
P2116
P1437
Atom HA3 of residue 53
P4545
P4658
P7476
GLN
P9749
P6309
P7328
Atom HD2 of residue 63
P6797
P7989
P7409
P11000
P8408
Atom HD12 of residue 71
P6821
P1708
P6467
P6248
Atom HA of residue 55
P5843
P9052
P2035
P4115
P5742
P5490
P6625
P5886
P1682
P7692
P6376
P2258
P7252
P12136
P6612
P8022
P4693
P4653
P5749
P53
P4626
Atom HB3 of residue 40
TYR
P8289
P1444
P2
Atom HA of residue 38
P4899
P2809
Model 248
P3430
P4682
P7472
P4413
P3278
P7538
P1768
P3609
P4256
Atom HB3 of residue 6
Atom C of residue 9
P6352
P1402
P5910
P5852
P1982
P4957
Atom HB2 of residue 4
P8227
P4323
P7322
P8013
Atom HD12 of residue 73
P2750
P6798
P5456
Atom N of residue 54
P6832
P3090
P8213
P2663
P7022
Atom H of residue 52
P5264
P8290
P5479
P2619
P4091
P4832
P6626
P8409
P4546
P4659
Atom HB3 of residue 24
P4654
P9750
P6310
P3113
P1578
P7329
P6613
Atom HD13 of residue 71
P1709
P2117
P5887
P1683
P7990
P1382
P6468
P5921
P5750
Atom CB of residue 73
Atom HD3 of residue 63
P6249
SER
P7477
P5844
P9053
P7410
P11001
P1403
P4116
P5491
P422
P6377
P4683
P2631
P3431
P2036
P4627
P8023
P6822
P2259
P7253
P8291
P4900
P7693
P2810
P5743
P3610
P4694
Atom CA of residue 8
P4257
P12137
P6833
Atom HB3 of residue 58
Atom HB of residue 55
P1773
P6353
Atom HD13 of residue 73
P5853
P1386
P4958
P4414
P8324
P3091
P8228
P7473
Atom O of residue 9
P7539
P2751
P7323
P1983
P4193
P8014
P5457
P5911
Atom CB of residue 66
P2665
P7023
P1404
P5922
P5265
P5480
P2620
P4833
P8292
P6799
P8410
P4547
Atom CG of residue 73
P4660
Atom HG2 of residue 24
P4324
P6311
P6823
P7411
P11002
P1387
P6614
P6627
P2724
P9751
P3114
P6469
P7330
P5744
P6250
Model 66
P5845
P1579
P9054
P7991
P4092
Atom HG of residue 8
P4117
Atom H of residue 71
P5492
P4684
P7254
P1349
P2118
P7478
P4695
P2664
P3432
P5751
P4628
P1318
P5888
ListSingletonContainer355
P2632
P1710
P7540
P4901
P6378
P4651
Model 125
P2037
P4415
Atom CG of residue 29
P8293
P3611
P1676
P2260
P1405
P4258
P12138
P5912
P6354
P7694
P1389
P5858
P4194
P4959
P3092
Atom N of residue 59
Atom C of residue 57
P8229
Atom O of residue 53
P7474
P2752
P1353
P8024
P5458
P8325
P7324
P8015
Atom HA of residue 9
Atom N of residue 1
P1767
P7024
Atom HH12 of residue 72
Model 169
Atom HA of residue 52
P5266
P5481
P2621
P3433
P4834
Atom OG1 of residue 66
P1984
P421
P2725
P8411
P1413
P4549
P4661
Atom HD21 of residue 73
P9752
P6312
P5923
P4093
P2042
P6834
Atom C of residue 12
P5889
P6800
P6615
Atom CE of residue 11
P1575
P4325
P6470
Atom HD13 of residue 67
P6251
P7479
P5846
P9055
P7331
P4118
P6824
P5493
P6628
P1830
P7992
P4687
P3115
P1380
P7255
P4696
P7412
P11003
P5752
P4629
P5745
P5859
P2633
P4902
P7695
P6379
P4652
P4416
P8025
P2119
P3612
P4259
P8294
P1711
P6355
P4548
P7541
P2261
P1422
P12139
P4960
P3093
Atom C of residue 66
Atom HD23 of residue 56
P4109
P8230
Atom H of residue 53
P70
P5913
P2753
P8326
P423
TYR
ASN
P7475
P6835
P1342
P7025
P7325
P5267
P8016
P5482
P1677
P2622
P3434
P4685
P4835
Atom CD of residue 29
P6801
P4
P4326
Atom HH21 of residue 72
P4662
Atom HD21 of residue 67
P6313
P11004
P4094
P8295
P2682
P1985
P6629
P1576
P1839
P5459
P6471
P5924
P2043
P6252
P5847
P9056
P1381
Atom HB2 of residue 67
P4119
P5494
P5890
Atom H of residue 4
P9753
P1423
P7332
P8327
P6616
P7993
P7413
P2666
P5753
P4630
P6825
P3601
P8643
P3116
P1680
P2634
P7480
P4903
P6380
P8026
P5746
P424
Atom HB of residue 9
P3613
P4697
P4260
P12140
P6356
Atom HG2 of residue 2
P8296
P4961
P4417
P3094
P2
Atom O of residue 66
P4110
P2120
P7696
P8231
P4327
P1385
P7476
P5856
P7542
P2262
P2754
P1712
Atom HA2 of residue 53
P7260
P6836
P5914
Atom HB of residue 66
P1678
P7026
P5268
P5483
P2623
P3435
P71
P4849
P7326
P8017
P9754
P5460
P4550
Atom HE of residue 72
P4663
Atom CA of residue 59
P6314
P5925
P4095
P4199
P2683
P3602
P4686
P1411
P6617
P1339
P7481
P2667
P6472
P6253
P6802
P5848
P9057
P1648
Atom HB3 of residue 67
P4120
P1
P6826
P5495
P1615
P1986
P4698
P1840
P7333
P5754
P4631
P5747
P1681
P6630
Atom H of residue 9
P5891
P7697
P7994
P3117
P4904
P6381
P7414
P4418
P3614
Atom O of residue 5
P4261
P7256
P6357
P11005
P1412
P8027
P7543
P8659
P4962
P8328
Atom HG1 of residue 66
P3095
P5337
P8300
P4111
P4328
P2041
P5915
P2635
Atom HE2 of residue 4
P12141
P2755
Atom N of residue 16
P4850
P2121
P1679
Atom HD23 of residue 73
P7027
P5269
P5484
P6803
P2624
P3436
P7477
P6837
Atom CB of residue 58
P2263
P5461
Atom C of residue 64
P7327
P8018
P1713
P6315
P1421
P4104
P8028
P426
P6631
P4200
P2684
P1649
Atom HD23 of residue 67
P1616
P9755
P2668
P6473
P5755
P4664
P6254
P8301
Atom HG23 of residue 12
P5849
P9058
P7257
P37
P4121
P5496
P5892
P3604
P5926
Atom HG21 of residue 22
PairScore 7
P7482
P1831
P7415
P4688
P11006
P8412
P4632
P4
P3118
P7334
P4905
P6382
P7995
Atom HD22 of residue 67
Atom HG21 of residue 66
P6827
P1987
P4699
P4262
P6838
P6358
P4551
P4096
P5748
P4963
P4419
P8329
P3096
P1676
P5340
P4112
P3615
Atom N of residue 74
P4329
P2636
P8302
P3603
P2756
P6618
Atom CB of residue 9
P12142
Atom O of residue 64
P7544
P7028
P5270
P5485
P7698
P2625
P7258
P5916
P2122
P8394
P5927
P7478
Atom HA of residue 67
Atom CA of residue 13
P1714
P6316
Atom HE of residue 42
Atom H of residue 10
P4837
P8029
P7328
P8019
P4201
P6804
P2685
P3437
P1390
P1680
P2669
P5462
P6474
P4665
P6828
P6255
P5850
P9059
P2264
P4122
P5497
P6632
P9756
Atom HG22 of residue 66
P5749
P4700
P4691
P11007
P8413
P5756
P4633
Atom HB1 of residue 46
Atom C of residue 6
P7483
P4906
P6383
P1832
P7335
P4420
P1647
P5893
P3616
P7996
P4263
P6839
P7545
P6359
P7416
P1393
P6619
P2676
Atom CG of residue 8
P4964
P5917
P3097
P1988
P4113
P7699
P1580
P3119
Atom CB of residue 64
P1
Atom HD13 of residue 30
P2757
P8351
P5339
P425
P4689
P8395
P38
P1684
P4330
P7029
P12143
P5271
Atom OG1 of residue 9
P5486
P2626
P3438
Atom HB of residue 7
P7262
P4838
Atom HB2 of residue 54
P6256
P2637
Atom CG2 of residue 14
P6317
P7479
P8030
P4202
P2686
P3605
P4552
P7329
P8020
P1715
P2123
ARG
P9757
P2670
P5463
P6475
P5928
P5757
P4666
Atom HE2 of residue 4
P5894
P6805
P5851
P9060
P1394
P4123
P1677
P5498
P2677
Restraint 64
P8361
P7484
P1685
P2265
P8414
P4634
P6829
P6633
P1460
Atom HG23 of residue 66
P5333
P4907
P6384
P11008
P4421
P5750
Atom HG3 of residue 29
Atom HB2 of residue 46
P4701
P4264
P7336
P6840
P6360
P1833
P7997
P7417
P7259
P1650
P2677
P427
P1
P4965
P3098
P4114
P3617
P7700
P4331
P3120
P6620
P7546
P2758
P8362
P5918
Atom CG of residue 64
P1989
P2
P6318
Atom HA of residue 7
P7030
P5272
P5487
P2627
P3439
P12144
P22
P4839
P4690
P6257
P1461
P11009
P8352
Atom HB3 of residue 54
P8031
P4203
P2136
P6806
P2687
P4553
P8396
P7480
P2638
P2671
P5464
P6476
P4667
P7330
P8021
P5852
P9061
Atom HA2 of residue 35
P4124
P5499
P5334
Atom CB of residue 14
P6634
P1716
P2678
P2
P5929
Atom HA2 of residue 10
P428
Atom HD2 of residue 29
Atom CA of residue 82
P2124
P4702
P2266
P8415
P5758
P4635
P1678
Atom CG2 of residue 9
Atom CA of residue 74
P9758
P1475
ListSingletonContainer349
P4908
P6385
P3606
GaussianProcessInterpolation60
P4422
P6830
P3618
P1462
P4265
P1385
P6841
P7485
P6361
Model 224
P7337
Atom C of residue 2
P5751
P8363
Linear1DFunction 11
P1312
P7998
P4966
P3099
P4115
P1834
P4332
P7418
P2655
P4345
GeneralizedGuinierPorodFunction 60
P5895
P2759
P7701
P6621
P1651
P7547
Atom C of residue 74
P6319
P7031
P8330
P5273
P5488
P2628
P3440
Restraint 0
P8397
P4840
P5919
P1990
P3121
P7261
P12145
P11010
Atom H of residue 54
P4204
P2138
P2688
P9759
P4554
Atom C of residue 82
Atom OG1 of residue 12
Atom HB3 of residue 46
P2672
P5465
P6477
P5930
P7481
P5759
P1386
P4668
P8032
P6258
P5853
P9062
Atom N of residue 1
P4125
P7331
P5500
P5335
P2639
P8022
P7486
P3608
P6807
P4703
P4692
P8416
P23
P4636
Atom HA of residue 70
P1686
P6831
P1717
P2657
P7702
P6622
Atom HD3 of residue 29
P2125
P4909
P6386
P2267
P4423
Atom N of residue 38
P5752
P6635
P5896
P3619
P4266
P6362
P7419
P7338
P4967
P6842
P3100
P4116
Atom CG2 of residue 9
Atom O of residue 74
P7999
P4333
Atom HA3 of residue 35
P0
P2656
P7548
P3607
P1476
P2760
P1653
Atom HA of residue 54
Atom HZ1 of residue 11
P1835
Atom OE1 of residue 2
P24
P1387
P5920
Model 94
P7032
P5274
P4348
P8364
P430
P5489
P2630
P3441
P4841
P1447
Atom HD12 of residue 50
Atom CD2 of residue 15
P6808
P6320
P11011
P4555
P12146
P8033
P4205
P2689
P3122
Atom N of residue 15
P1991
P2673
P5466
P6478
P5760
P8331
P4669
P1321
P6259
P6636
Atom C of residue 46
P5858
P9063
P8398
P7482
P4126
P5501
P5341
Atom CG2 of residue 12
Atom OD1 of residue 39
P9760
ListSingletonContainer350
P1395
P6623
P1687
P7332
P8023
P4704
P4693
P8417
P4637
P2640
P2658
P7703
Atom CB of residue 74
P2629
P7487
P2135
P4910
P6387
P4424
P1718
P5897
P1473
P4556
P4267
P6843
P6363
P2268
PRO
P6832
P8303
P2126
ILE
P7263
P4968
P4117
P4334
Atom CG of residue 8
P7339
P1654
Atom HB of residue 70
P5753
P2657
P1836
P8000
Atom HE2 of residue 1
P5931
P1398
P2761
P4
P1448
P7420
P0
P3101
P4249
P3620
Atom HD13 of residue 50
P7033
P5275
Atom O of residue 46
Atom CB of residue 60
P5490
P3442
P4842
P7549
P8332
P2139
P5859
P6321
P11012
P8399
P5921
P8034
P5342
P4206
P6511
P2690
P3609
P12147
P6624
P8304
P2674
P5467
P6479
P4670
P1682
P6260
P6809
P9064
P5932
P25
P4127
P5502
P1992
Atom CB of residue 12
P0
P4557
P7483
P6833
P4705
P1487
P4694
P8418
P3123
P5761
P4638
Atom H of residue 12
P7333
P6637
Atom OD2 of residue 39
P2659
P7704
P9761
P1399
Atom HG11 of residue 70
P5754
P4911
P1449
P6388
P2641
P1719
P1311
P4268
P6844
P7488
P6364
P429
Atom HG21 of residue 13
P5898
P7264
P4969
P4425
ListSingletonContainer13
P8305
P4118
P3621
P2269
P4335
P26
P2658
P8024
Atom OD1 of residue 60
P2762
P5922
P8001
P7421
P3102
P4250
P1837
P1479
P7034
P5276
Atom CB of residue 46
P5491
P3443
P4843
P1652
P2127
Atom HD21 of residue 50
Atom HG12 of residue 3
P7550
Atom HB3 of residue 57
P6322
Atom HG3 of residue 31
Atom HB3 of residue 34
P8035
P4207
Atom CG of residue 39
P6512
P2691
P3610
P7340
P6625
P2808
P5468
P11013
P6480
P12148
ListSingletonContainer351
P4671
P6261
P8306
P5899
P9065
P2631
P5934
P4128
P5503
P1450
P9762
P8333
P6810
P5856
P4695
P8419
P8400
P7484
P5762
P4639
P5338
P2660
P7705
P1391
P1683
P7334
P431
P8025
P2
P7489
P4912
P2
P6389
Atom CG of residue 74
P3
P4558
P6638
P1720
P4706
P6845
Atom HG12 of residue 70
Atom C of residue 5
P1733
Atom ND2 of residue 60
P3622
P6365
P5755
P1993
Atom HG of residue 57
P7265
P4970
P4426
P3103
P4119
P4336
P1480
P4269
P2659
P2642
P8307
P2763
P2270
P7341
P6834
P4251
P8002
P7035
P1392
P5277
P5492
P7422
P3444
P4
P4844
P5923
P1838
P4672
Atom H of residue 46
P7551
P1
P6323
P11014
Atom HG2 of residue 34
P4208
P6513
P2692
P1451
P3611
P3127
P27
P8334
P6626
P3
P432
Atom HG22 of residue 12
P2128
P2809
P5469
Atom HE21 of residue 31
P8401
P6481
P6262
P5900
P6811
P9066
P2632
P5935
P12149
P4129
Atom HA of residue 26
P5504
P8308
P2137
P5337
P4559
P8036
P4707
P8420
P5763
P5373
P6639
P2661
P7485
P8026
P4913
P6390
P1477
P7335
P7706
P9763
P4696
P4270
P4640
P6366
P28
Atom CB of residue 70
P4
P6835
P4971
Atom CA of residue 42
P3104
P1734
P4120
P1721
P7490
Atom H of residue 60
P4337
P1369
P4427
P5756
P2660
Atom N of residue 58
P1452
P2764
P6846
P1994
Atom CB of residue 6
Atom CD of residue 74
P2271
P7423
P7342
P4252
Atom CB of residue 48
P1842
P7036
P5278
P5493
P3623
P8003
P3445
P4845
P2643
P7552
P3130
P6324
P11015
P4560
ListSingletonContainer352
P5924
Atom H of residue 10
P4209
P6514
P2693
P3612
P6627
Atom HD3 of residue 48
Atom HA of residue 22
P1
P2140
P5470
P6482
P7266
P5764
P4673
Atom HA of residue 34
P6263
P5374
P5901
P9067
P2633
P9764
P4130
P5505
Model 207
P5340
P2805
P12150
Atom CB of residue 72
P8037
P2129
P1370
P8421
P5933
P4641
Atom CG of residue 42
P7491
P2662
P7707
P1453
P8335
P4914
P6812
P6391
P8402
P7486
Atom HB2 of residue 60
P4708
P4697
P7336
P8267
P8027
P6367
Atom CA of residue 58
P5757
P6836
P6640
P4972
P3105
Atom HD12 of residue 13
P4121
P4338
P4428
P2661
P434
P2142
Atom NE of residue 74
Atom CE of residue 6
P7267
P2765
P6847
P2272
P1371
P1578
Atom HG22 of residue 23
P4253
P7037
Atom HB of residue 26
P5279
P5494
P3624
P3446
P7343
P4846
P5925
P1995
P1722
P7553
Atom CG of residue 48
P8004
P29
P1729
P8028
P0
P7424
P6325
P2644
P8265
P4210
Atom CG of residue 6
P2694
P6628
P1351
P6813
P5471
P4271
P6483
P4674
P6264
Atom HA of residue 13
P5902
P6515
P1454
P9068
P2634
P4561
P8336
P4131
P5506
P3613
P3131
P8403
P6641
P2130
P0
P8422
P5936
P5765
P2663
P7708
P5339
P9765
P7344
P8038
Restraint 27
P2145
P4915
P6392
Atom CB of residue 37
Model 249
P2806
P30
Atom O of residue 77
P5343
P4709
P4698
P7487
P1579
P4642
Atom CD2 of residue 4
Atom HG23 of residue 23
Atom O of residue 21
P8252
P7492
P6368
Atom CZ of residue 74
ScoreState 28
P1149
P7337
P11019
P4973
P4429
P4122
P4339
P12151
P6837
P2662
P3625
P7268
P2766
P4847
Atom HD21 of residue 8
P3106
P5758
P4254
GLU
P1455
Atom C of residue 110
Model 405
P7038
P6848
P5280
Atom C of residue 6
P5495
P3447
ListSingletonContainer353
P4272
P8029
P5333
P8005
P7425
P6326
GeneralizedGuinierPorodFunction 37
Atom CD of residue 72
Atom CG2 of residue 44
P4211
P1723
P7554
P6516
P2695
P2273
P1358
P6629
P1996
P5472
P6484
P4675
P5926
P6265
P2645
P9069
P1841
P2635
P4562
P5937
P1150
P4132
Atom CB of residue 21
P5507
P3614
P11016
Atom HD2 of residue 48
P8039
P6838
P5903
P6814
P1456
P4699
P8423
P5766
P4643
Atom HG13 of residue 3
P2131
P2664
Atom CG1 of residue 5
P7345
P12152
Atom HG22 of residue 7
P433
P4916
P6393
P4430
P5344
P6642
P4710
P9766
P3059
Atom C of residue 9
P8337
P6369
P8404
P7488
P4868
P1730
P8378
P4974
P3107
P7338
P4123
P7493
Atom C of residue 22
P4340
P1151
P3626
Atom O of residue 110
P7269
P2767
P6849
Atom NE of residue 72
P7555
Atom C of residue 100
P4255
Atom CA of residue 24
P5334
P7039
P5927
P5759
P5281
P2663
P5496
P1359
Atom N of residue 30
P0
P7712
P11017
P4273
P8030
P6327
P1576
P4212
P1724
P6517
P2696
P1465
P8006
P3615
P2274
P3448
P6630
Atom CB of residue 6
P7426
P5473
P6485
P5767
P4676
P6266
P2646
Atom CD1 of residue 44
P5904
Atom HB of residue 17
P9070
P2636
P4563
P4133
P5508
P435
P0
P2141
P6839
P1997
Atom C of residue 22
Atom HD2 of residue 74
P3072
P8424
Atom HG3 of residue 1
P4644
P8338
Atom HG21 of residue 3
P2665
P8405
P7346
P12153
P4869
LYS
P8379
P4917
P6815
P6394
P11018
P3129
P5938
P31
P5345
P4711
P4700
P8040
P7494
P6370
P1360
P6643
P7709
P7489
P4975
P3108
P4124
GaussianProcessInterpolation42
P4341
P1154
P1731
Atom CB of residue 24
P7339
P3627
P1511
P9767
P7270
P2768
P2132
P4274
Atom HB1 of residue 28
P4256
Atom HB of residue 17
P5335
Atom NH1 of residue 74
P7040
P5760
P5282
P2664
Atom CB of residue 7
P5497
Atom O of residue 100
P3449
Atom C of residue 7
P436
P7556
Atom C of residue 76
P6850
P8031
P7427
P6328
Atom HE1 of residue 4
P5928
P4213
P6518
P2697
P4431
ListPairContainer 0
P2146
P8007
P5474
P6486
P5939
PRO
P4677
P6267
P5905
P9071
P2637
P1361
P4564
P1581
P4134
P5509
P3616
P6840
P2647
Atom H of residue 44
P6816
P7710
P4712
P8425
P5768
P32
P4645
P1725
P2666
P6375
P2275
P2810
P7347
P1998
P4918
P6395
P6
P6631
Atom CG1 of residue 5
P5346
P6644
P1322
P4701
P4275
P12154
P2108
Atom HD23 of residue 71
Atom C of residue 27
P8041
P8380
P9768
P4976
P8339
P3109
P4125
Atom NH2 of residue 74
P3133
P7041
Atom O of residue 76
P8406
P7490
P6851
P4851
P2665
Atom HH21 of residue 42
P3628
Atom N of residue 5
Atom HG3 of residue 42
P7495
P7711
Atom HB2 of residue 28
P1737
P5761
Atom CG of residue 24
P4257
P5341
P4342
P7271
P5283
P2133
P5498
P1463
P3450
P2769
P4432
P12155
Atom CG of residue 2
Atom HG13 of residue 17
P6329
P1362
P4565
P1155
P4214
P7557
P2698
P3617
Atom HA of residue 59
P7340
P8032
Atom H of residue 73
P5475
P6487
Atom CB of residue 9
P4678
P5929
P6268
P2652
P5906
P9072
P8008
P2638
P11020
P4136
P5510
P7428
P2811
P6632
P6841
P6519
P4713
P4702
P8426
P7
P5940
P5769
P4646
P2148
P2667
P6551
P1464
Atom H of residue 76
ListSingletonContainer370
P1582
P8381
P4919
P6396
P8340
P5347
P1726
P7496
P2276
P8407
P4276
P7348
Atom N of residue 37
P438
Atom N of residue 62
Atom HH22 of residue 42
P6817
Atom HB2 of residue 2
P1999
Atom N of residue 44
P9769
P4977
P8042
P3110
P4126
P5342
P4343
P3134
P7042
P4852
P4135
P2666
P6645
P3629
P2800
P7491
P7272
Atom HG of residue 71
Atom CD2 of residue 73
P1152
P5762
P7341
P4258
Atom O of residue 17
P1363
P6852
P5284
P2653
P2134
P5499
P3451
P2770
P4433
P7558
P12156
P4679
P8033
Atom CB of residue 16
P6330
P5930
Atom HD22 of residue 60
P2699
Atom H of residue 74
P3618
Atom CA of residue 23
Atom CB of residue 63
P5476
Atom HG22 of residue 44
P6488
P5770
P6633
P6269
P9073
Atom C of residue 1
P2639
Atom HB2 of residue 59
P4566
P5511
P4215
P6818
P8009
P7429
P6520
P4714
P4703
P8427
P68
P4647
P2668
P11021
Atom HA2 of residue 76
P7349
P2138
Restraint 13
PRO
P6842
P6646
P5907
P4920
P6397
P5941
P1580
P5348
P1727
P1364
P4277
P7713
P2143
P2801
P4978
P3111
GLN
P4127
P6374
Atom N of residue 18
P8043
P1735
P2667
P8382
P3630
Atom HD21 of residue 43
P2277
P9770
P7273
P2771
P4434
P8341
P2000
P3132
P8408
P7492
P7342
P4259
Atom HG22 of residue 3
P4344
P7043
Atom C of residue 21
P8242
Atom HD11 of residue 71
P5285
P5500
Atom HA of residue 74
P5763
P5338
Atom HG23 of residue 44
P12157
P65
Atom O of residue 26
P8034
P7497
P3
Atom CG of residue 16
P6331
P2700
P3452
Atom CG of residue 63
Atom HG2 of residue 49
P5477
P1365
P6489
P6634
P4680
P6270
P2135
P7559
P9074
P2640
P4568
Atom N of residue 61
P5512
P437
P4216
Atom C of residue 20
Atom O of residue 73
P6843
P2651
P4715
P8010
P9771
P4704
Atom HB3 of residue 59
P8428
P5942
P5771
P4648
P0
P7430
P11022
P7350
P5908
P6521
P4921
P6819
P6398
P3619
Atom O of residue 21
P4435
P5349
P4278
P4137
P8383
P2669
P2
P8342
P6647
P13139
Atom NZ of residue 11
P1377
P8409
P4979
P5931
P3112
P5764
P4128
P2144
P4567
P1584
Atom HB3 of residue 50
P1736
P2668
P7714
P7274
P8201
P2772
P8044
P2001
P7498
Atom CA of residue 45
P4345
P2682
P7044
P7493
P5286
Atom CA of residue 62
P1728
P7560
P5501
P3631
P4
P3453
P7343
Atom HG23 of residue 3
P5373
P2278
P12158
P4681
P4260
P8035
P6332
Covariance1DFunction 89
P5513
P439
P4217
Atom CB of residue 73
P2702
P1408
P5932
P3
P5478
P6490
P5772
P6635
Atom CB of residue 26
P6271
P2136
P9075
P2641
P11023
P67
Atom HZ3 of residue 29
Atom O of residue 20
Atom HZ2 of residue 6
Atom HG3 of residue 49
P7431
Atom N of residue 76
P6844
P6522
P4716
P9772
P4705
P8429
P4653
Atom HB3 of residue 20
ILE
P2671
Atom HB2 of residue 74
P8011
P7344
P4922
P6399
P3620
Atom HD1 of residue 59
Atom HD11 of residue 44
P4436
P5350
P2654
P4279
Atom HD13 of residue 71
P4138
P5909
P2149
P6820
P2701
P5943
P1589
Atom HG of residue 50
P8202
P4980
P3113
Atom HD13 of residue 23
P4129
P4346
P8243
P2669
P6648
Atom C of residue 62
P3632
P7715
P1409
P7354
P2773
P440
P7499
P5374
P8045
P5765
P4261
P8384
P1
P2670
P2683
P7045
P8343
P5287
P5502
P13140
P3454
P8410
P7494
P2002
P8563
P0
P2279
P7275
Atom CD1 of residue 30
P6333
P5514
P4218
Atom HD11 of residue 3
P7561
Atom CB of residue 29
P12159
P5934
P1729
GLY
Atom O of residue 18
P5479
P6491
Atom HD22 of residue 50
Atom HG of residue 20
P6272
P9076
Atom HB3 of residue 74
P2642
Atom CG1 of residue 3
P8036
Restraint 50
P11024
P5944
P6845
P4717
P9773
P8430
P4654
Atom N of residue 30
P6636
P4682
P2137
Atom HH22 of residue 72
Atom HE21 of residue 49
P4569
Atom N of residue 24
P7345
P5910
P4923
P13141
P6821
P6400
P8012
P3621
P4437
P5351
P7432
P4706
P4280
P8244
P4139
P6523
P7716
Atom CA of residue 61
P6649
P7351
P8203
P5773
P4981
P3114
P8385
P4130
P4347
P8344
P2670
P3633
P1372
P8411
P2774
P1583
P4262
Atom C of residue 35
P2684
P7046
P8046
P5288
P7500
P5503
P3455
P5766
P3
P7495
P7276
P12160
Atom HB2 of residue 50
P6334
P5343
P2703
Atom CB of residue 39
P5935
P2003
Atom HA of residue 2
Atom CB of residue 18
P5480
P6492
P6637
P4686
P6273
P7562
P13142
P9077
Atom CA of residue 50
P2643
P2280
P1373
Atom O of residue 52
Atom CG of residue 29
P5515
P8037
P4219
P1730
P6524
P3622
P11025
P4718
P9774
P8431
P7352
Atom H of residue 58
P442
Atom C of residue 34
P7346
P4924
P6401
P5945
P5774
P4651
P5352
P7501
P8013
Atom H of residue 30
P7433
P4707
P4570
P4281
Atom C of residue 54
P4140
P6846
P2138
P3634
P8245
Atom CG2 of residue 14
P2147
P7717
P1335
P8204
P69
P4982
P4438
P4683
P3115
P4131
P5911
P2672
P6822
Atom HG2 of residue 74
P2671
P2775
P5767
P4263
P6650
P4348
P2685
P7047
Atom CG2 of residue 12
P5289
P5504
P8047
P8386
ILE
P6493
P12161
P8345
P0
Atom CG1 of residue 26
P6335
P8412
P7496
P7353
Atom N of residue 20
P4220
P7563
P5344
Atom CB of residue 52
P7277
Atom CG1 of residue 29
P5481
P5775
P6638
P6274
Atom O of residue 34
P2150
P9078
P2644
P2281
Atom CG of residue 42
P5933
P5516
Atom HB2 of residue 2
Atom CA of residue 35
P3456
Atom HH22 of residue 42
P11026
Atom HA of residue 14
P2004
P13143
P4719
P8432
P4571
P8038
P1731
P5912
P6823
P2704
P7347
P6525
P4925
P6402
Atom H of residue 76
P9775
P4652
P4988
P4439
P4684
P5353
P7502
Atom HG3 of residue 74
P3623
P4708
P4282
P4141
P6847
P6651
P3635
P8014
Atom HZ1 of residue 27
P5946
P1314
P7718
P7434
P8205
Atom O of residue 54
P3116
P4132
P2673
P4349
P2672
P2139
P0
Atom HE3 of residue 63
P2776
P8387
P2152
P66
P8346
P4264
P2686
P7048
Atom H of residue 52
P8413
P5290
P5505
P6494
P7278
P12162
Atom HA of residue 58
P8048
P6336
P4572
P8246
P5768
P441
P4
Atom CE2 of residue 4
P5345
P3457
Atom N of residue 43
Atom HB of residue 55
Atom CG2 of residue 26
P5482
P5776
Atom HG2 of residue 37
P6639
SER
Atom HD3 of residue 19
P6275
Atom CA of residue 68
P9079
P2645
P3600
P5936
P5517
P8039
P4221
P11027
P4989
P1760
P7564
P4720
P2282
P9776
Atom CB of residue 54
P2705
Atom HZ2 of residue 27
P4926
P6403
P5947
P7497
P4440
P4685
P5354
P2005
P1732
P7503
P3624
P7435
P4709
P4283
P4142
P7348
P5913
P6526
P3636
P6824
Atom CD1 of residue 56
P7719
P1
P8015
P7355
P8206
P3117
P6848
P4133
P2674
P4350
P8433
Atom HB2 of residue 58
P2673
P6652
Atom HG2 of residue 2
Atom CB of residue 5
P2777
P5769
Atom HZ3 of residue 33
P5
P3601
Atom HG1 of residue 55
P4265
P2687
P7049
P5291
P443
P2140
P5506
P1344
P1317
P6495
Atom N of residue 20
P7565
P2154
P6337
P4573
P8049
P8388
P4222
P5346
P8347
P5937
P5483
P8414
P7498
P5777
Atom HG3 of residue 37
P6640
P6276
P9080
P2646
LEU
P7279
P12163
P5518
P13145
P3458
P9777
Atom H of residue 54
P2706
Atom HZ3 of residue 27
P11028
P7349
Atom CB of residue 19
P6527
P4927
P6404
P1345
P2283
P7356
P1761
Atom O of residue 22
P5355
P8040
P1733
P7504
P4721
P3625
P4710
P8434
Atom HA of residue 52
P4284
Atom HZ1 of residue 63
P3603
P4143
P6849
P4986
P444
P7720
P8207
ListSingletonContainer371
P4441
P2006
P4134
P5914
Atom HB2 of residue 1
P6825
P8016
P4351
Atom CD2 of residue 56
P5948
P2674
P3637
P2
P7436
P2778
Atom HA of residue 55
P13144
Atom HB3 of residue 58
P3118
P4267
P6653
Atom CD1 of residue 4
TYR
P2688
P7050
P5292
P8389
P5507
P1330
P8348
Atom HA of residue 54
Atom HA of residue 26
P8415
P6496
P3602
P4687
Atom HB3 of residue 20
P2151
P6338
P4574
P2141
P2809
P5347
P3459
P8050
P5484
P7499
P5778
P6277
P7566
P9081
P2647
P12164
P1756
P5519
Atom CG of residue 19
P11029
P7280
Atom HD2 of residue 37
P5770
P4266
Atom CD of residue 37
P4722
P3626
P9778
Atom C of residue 43
P5938
P2707
Restraint 65
P5949
SER
P7350
P4223
P4928
P6405
P4987
P5356
Atom HD3 of residue 74
P4711
P8435
P4285
P6641
Atom OG1 of residue 66
P4144
P8041
P5915
P6826
P2284
Atom CA of residue 21
P1734
P7505
P8208
P4442
LYS
P3119
P4135
P6528
Model 225
Model 14
P2808
P6654
P3638
P7721
P8017
P7437
Atom CZ of residue 4
P2779
Atom HB2 of residue 54
P6850
P2007
Atom H of residue 56
P2689
P7051
Atom H of residue 8
Atom C of residue 53
P5293
P5508
P2810
P3460
Atom CD2 of residue 4
Atom C of residue 59
P6497
Atom O of residue 32
Atom CD of residue 6
P4352
P6339
P4575
P5939
P5348
Atom CB of residue 42
P3604
Atom HA of residue 37
P3627
P5485
P7357
P4688
P8051
P6278
P8390
P446
P2155
P9082
P2648
P8349
Atom CA of residue 20
P5774
P5520
P11030
P8416
P7500
ListSingletonContainer405
P2809
P7567
P7281
P12165
P6645
P6529
P13147
P2708
P2142
P4929
P6406
Atom CA of residue 63
P4443
P6851
P5357
P1
P7506
P4723
P4712
P4286
Atom HD23 of residue 8
P4145
P1757
P2285
P9779
P0
P5950
Atom HA of residue 27
P8042
P7722
Atom HE of residue 74
Atom HB of residue 26
Atom HB2 of residue 56
P8209
P5779
P3120
P4136
P8436
P5771
P4224
P1735
Atom HE21 of residue 2
Chain A
P3639
P7501
P2780
Atom CA of residue 33
P7354
P5916
P2805
P6827
P8018
Atom HH21 of residue 42
P6642
P4268
P4353
P7438
P2691
P7052
P7358
P5294
P5509
P13146
P2008
P6655
Model 424
P6498
Atom CG2 of residue 66
P8391
Atom CB of residue 32
P9083
P6340
Atom CB of residue 51
P4576
Atom HA of residue 28
Atom O of residue 59
P5349
P8417
Atom HG13 of residue 13
P2810
Atom HE22 of residue 62
P3628
P5486
P4689
Atom CA of residue 53
P5772
P6279
P7568
P2649
Atom CD2 of residue 8
P12166
Atom HB3 of residue 54
P5940
P8052
P5521
P11031
Atom HA of residue 52
P4724
P2690
P4713
Atom C of residue 52
Atom C of residue 33
P2709
P7282
P4930
P6407
Atom HH11 of residue 74
P5780
P3605
P4444
P5358
P7507
P5917
P6828
P4287
P4146
P4225
P6530
P3640
P2286
P9780
P3461
Atom HB2 of residue 27
P2143
P7723
Atom CG of residue 51
Atom HA of residue 21
P8210
P6643
P3121
P1758
P6852
P7351
P6656
P4137
P8043
P8437
P5951
Atom HB3 of residue 48
P7439
P7502
P2781
P2806
P1659
ListSingletonContainer372
Atom HG21 of residue 13
GLY
P2805
P1736
Atom HE22 of residue 2
P8019
P7053
P7359
P8365
P5295
P445
P5510
P6499
P4269
Model 208
Restraint 482
P9084
P4354
P6341
P4577
P5350
Atom H of residue 66
P2009
P2153
P3629
P5487
P5781
P4690
Atom HB1 of residue 28
P5776
P6280
P2650
P5522
P3606
P8053
P8392
P1484
Atom HB2 of residue 52
P4725
P4714
P5941
P7352
Atom CG1 of residue 70
P4226
P2710
Atom CE1 of residue 4
P3462
P8418
P136
P8366
P7569
P4931
P6408
P7283
P12167
P5359
P7508
P13149
P11032
P4288
P4147
P5952
Atom HG2 of residue 48
P2144
P2812
P7724
Atom HB2 of residue 62
P8211
P4445
P6644
P3122
P1759
P4138
P5918
P6531
P6829
P9781
P8438
P447
P8044
P3641
P2287
Atom CD of residue 51
P7503
Atom SD of residue 1
P2782
P1485
Atom HG3 of residue 2
P5773
P2806
P6657
P1737
P4355
P2692
P7054
P5296
P5511
P8020
Atom H of residue 36
Atom HG2 of residue 29
Atom CD1 of residue 23
P1663
P7440
Atom CB of residue 52
P6500
P7360
P4691
P2156
P13148
P6342
P4578
P7353
P4227
P5351
Atom HH12 of residue 74
Atom C of residue 26
P4270
P8393
P7570
P5488
P5782
P3607
P8350
P6281
P9085
P8419
P5942
Atom HA of residue 66
P5523
P2010
P1486
P4726
P2675
P3630
P8054
P2711
P448
P5060
P6409
P4446
P1517
P5360
P3463
P11033
P4289
P7284
P12168
P4148
P6532
P3642
P9782
Atom CA of residue 3
P1326
P3059
P8212
P3123
P4139
P2145
P4356
P8439
Atom HG3 of residue 48
P1493
P7509
Atom HG3 of residue 51
P2158
P7504
P2783
Atom CG2 of residue 70
P8045
P5919
P6830
P5953
P1763
P1
P1738
P7725
Atom HD12 of residue 15
P2693
P7055
P7361
P137
P5297
P5512
Atom HH21 of residue 74
P6658
Model 67
P8021
P7441
P4715
P6501
P2288
P6343
Atom HG3 of residue 29
P3059
P4228
P5352
Atom N of residue 52
Atom OD1 of residue 25
Atom O of residue 26
P1518
Atom CA of residue 9
P4271
P5489
P3608
P4692
P6282
P9086
P4579
P298
P5775
P5524
Atom HA of residue 36
P7571
P3631
Atom HA of residue 22
P6646
P2712
P8055
P2011
P8394
P1478
P5062
P6410
P4447
P5943
P5361
P8420
P5954
P4149
Atom CA of residue 52
P3643
P7285
P12169
P4803
P13151
P2676
P3464
P11034
P8216
P5783
P3124
P7355
P4141
P1254
P5920
P6831
P4727
P8440
Atom HD2 of residue 6
P7510
P5513
P2160
P2784
Atom H of residue 70
P6533
P9783
P4716
P1519
P6659
P8046
P7726
P4357
P7056
P4290
P7505
P5298
P3072
Atom HB3 of residue 38
P1764
P6502
P450
P2811
P1660
P8022
P2289
P6344
P4580
P2146
P5353
P7442
P7362
Atom CA of residue 23
P4272
Atom HG13 of residue 26
P4140
P1739
P1255
P13150
P2694
P5490
Atom CB of residue 45
Atom HZ2 of residue 11
P3609
P6647
P4693
P5944
P6283
P9087
Atom H of residue 10
P3465
Atom ND2 of residue 25
P5525
P8395
P1479
P4229
Model 417
P2655
P3632
P8421
P2713
Atom HH22 of residue 74
P4804
P300
P7572
P5063
P6411
P5784
P8056
P7356
P5362
P6534
P4731
P9784
P11035
Atom O of residue 28
P8263
P4150
P4717
P135
ILE
Atom HG2 of residue 38
P7286
P12170
P4448
P3125
P1251
P8441
P4291
P5955
P6552
P5514
P3644
P7506
P2785
P1513
P2012
P7511
P4359
P7057
THR
Atom CD of residue 62
P5777
P5299
P2811
P8047
P5921
P6832
P3466
Atom OG1 of residue 14
Atom HD23 of residue 69
Atom HD2 of residue 48
P7727
P4728
P7443
P4694
P1309
P6345
P4581
P6660
P1480
P2157
P5354
P8023
P4273
P1740
P1256
P1661
P2695
P5491
P6503
P7363
P5785
P6648
P6284
P2147
P9088
Atom N of residue 75
Atom CB of residue 57
P4805
P5526
Atom HG21 of residue 26
P4230
Model 345
Atom HD3 of residue 42
P1762
P7573
P2656
P3633
P2290
P4358
P4718
P3610
P5945
P2714
P2724
P6412
P5363
Atom CG of residue 45
P4151
P8057
Atom HD11 of residue 50
P8396
P5061
P1514
P6553
P301
P5922
P6833
P8422
P4449
P3126
Atom HD21 of residue 69
P6535
P9785
P8442
P4292
P12171
P449
P1481
Atom CB of residue 3
P7512
Atom CD1 of residue 13
P3645
P13153
Atom CB of residue 28
P7507
P8214
P2786
P6661
P4729
Atom HA of residue 38
P5956
Atom CB of residue 71
P7728
P7058
P5778
P5300
P2812
P5515
P3467
P2013
P4142
P8048
P1257
P73
P6346
P4582
P7287
Atom NE2 of residue 62
P4231
P1308
P5355
P11036
Atom CD1 of residue 45
P4274
Atom HA of residue 5
P2696
P5492
P6504
P5786
P1691
P3611
P6649
P4695
P7357
P6285
P1489
P2148
P2161
P9089
P7444
P7364
P5527
P2725
P13152
P1662
P3634
Atom OG of residue 57
P8397
P1337
P2715
P4821
P1741
Atom HG12 of residue 13
P6413
P2291
P8423
P4450
P1515
P5946
P2801
Atom CB of residue 5
P8024
P4152
P299
P451
P7574
P3646
P11037
P8058
P3127
Atom HD12 of residue 50
GLY
P4719
P8443
P5957
P7508
P7288
P12172
P4153
P2787
P1264
P5923
P6536
P5066
P4730
P9786
Atom CD2 of residue 45
Atom HA2 of residue 10
Atom HB2 of residue 71
P5364
P1338
P1494
GaussianProcessInterpolation73
P7059
P4293
Atom N of residue 63
P5779
P7358
P5301
P5516
P3468
Atom CA of residue 36
P2
P6662
P4143
P7513
P2165
P1666
P4696
P6376
P8049
P4360
P6347
P4583
P1522
P4232
P5356
P2014
P4275
P6834
P2697
P5493
P6509
P5787
P3612
P6286
Atom CG1 of residue 5
P1347
P9090
P1591
P8025
P7445
P5528
P452
P7575
P7365
P1692
Atom HG23 of residue 17
P2802
P3635
P4822
P6650
P5947
P2681
P2716
Atom HE2 of residue 27
Atom H of residue 62
P1742
P7729
P6414
P2292
Atom CB of residue 1
P302
P2149
P4153
P1
P11039
P4154
P4451
Atom CG1 of residue 36
P8059
P3128
P5365
P8398
P7514
P6537
P9787
P8444
P4294
Atom HD22 of residue 67
P3647
P4
P8424
P7289
P2788
Atom C of residue 18
P1253
Atom HB of residue 12
P5067
P4720
P12173
ListSingletonContainer373
P6378
P13155
P7060
P7359
P5302
VAL
P5924
P5517
P6835
P7730
Atom CA of residue 75
Atom H of residue 27
P5958
P1525
Atom HB3 of residue 71
P4144
Atom O of residue 57
P7509
P4697
P2159
P1592
P6348
P4584
Atom HG of residue 50
P6663
P8050
P5357
P3469
Atom HB3 of residue 1
Atom OE1 of residue 62
P4276
P1672
UnaryFunction17
P4361
P2698
P5494
P6510
P5788
P3613
P6287
P9091
P8026
P5529
Atom HA of residue 67
P4233
P6377
Atom N of residue 18
P2015
P1487
P4732
P3636
P7446
P1554
P7366
P4836
P6651
P13154
P2717
Atom C of residue 75
P74
P5780
P2681
P7576
P6415
P1614
P8399
P2150
P5064
P4295
P1683
P4154
P2682
P11040
P8425
P5948
P4721
P5959
P4452
P3129
P5366
Model 191
P8445
Atom HG2 of residue 62
P8060
P1743
P3648
P2293
P2789
P5925
P454
Atom HB2 of residue 67
P7515
P7061
P7290
P12174
P4116
P5303
P1252
P6538
P5518
P6836
P7732
P9788
P3470
ILE
Model 170
P6664
P1488
P4145
P4362
P7510
P5781
P1346
P7360
Atom CB of residue 4
P6349
P4585
P303
P4234
P1664
P5358
P6507
P4277
Atom CA of residue 70
P8051
P1585
P2699
P5495
P5789
P3614
P4698
P1520
P6288
P9092
Atom O of residue 75
P7447
P5530
P2166
Atom HG12 of residue 3
P5949
Atom CD1 of residue 71
P4733
P8027
P3637
P4722
P7291
P6652
P5065
P8358
P2718
P7367
P157
P1739
P2682
Atom CB of residue 15
P6416
P1555
P4453
P4806
P1347
P2016
P4155
P7577
P2683
P1615
P1649
P2
P6539
P9789
Atom HG12 of residue 5
P3130
P2151
P11038
P8446
P4296
Atom CB of residue 7
P1744
P1684
P2790
P8061
P8400
P8028
P5960
P1521
P5367
Atom HB3 of residue 67
P2294
P4363
P7062
P8426
P4117
P7361
P5304
Atom HG of residue 69
P5519
P3649
P7733
Atom H of residue 75
P3471
P12175
P4146
P7516
P1357
P13157
P1332
P5782
Atom CG of residue 4
P5926
P4984
P1665
P6837
P8359
P6350
P4586
LEU
P5359
P1586
P6508
P7511
P6379
P4278
P2187
P2700
P5496
P5790
P3615
P4699
P6289
P6665
P8052
P9093
Atom HB3 of residue 48
P304
P5531
P4235
P1740
P0
P4734
P3638
P4723
P7292
P6653
P158
P2719
P1552
P1609
Atom CB of residue 14
P2683
P7578
P6417
P7448
P1336
Atom HE21 of residue 62
P7368
P4807
P5950
P13156
P4156
P453
P2684
P2017
P8401
P1358
P6838
P3339
P72
P3131
Atom O of residue 22
P11041
P8447
P8427
P4297
P5927
P3650
P2190
P2791
P6540
P8029
P9790
Atom HG22 of residue 5
P8062
P5368
P2152
P7517
P1857
P2295
P4364
P7063
P4118
P1685
P5305
P5520
P4985
JeffreysRestraint_P0
P5961
Atom OD2 of residue 21
P4147
P7512
P12176
P5783
Atom HE22 of residue 49
P1745
P7731
P6351
P4587
P4236
P5360
P3472
Atom HB3 of residue 62
P4454
P6380
P7362
P4279
P2701
P5497
P5791
P3616
P6654
P4700
P6290
Atom HB of residue 14
Atom CA of residue 6
P2162
P9094
P1587
P5532
P6666
P8053
Atom HD13 of residue 61
P0
P4735
P3639
P4724
P7293
P455
Atom OG1 of residue 12
P2720
ListSingletonContainer544
P2684
P6418
P2191
P7449
Model 250
P3340
P8360
P4298
P7369
P4157
P1647
Atom CE1 of residue 4
P2685
Atom HG3 of residue 42
P11042
ScoreState 41
P5951
P6839
P1557
P3132
P7579
P4365
P8448
Atom HG2 of residue 48
P1610
Atom HH of residue 59
P4808
P1734
P2018
P8030
Atom HD13 of residue 15
P5962
P5369
P7064
P4119
P8063
P5306
P8402
Covariance1DFunction 27
P5928
P6541
P5521
P3651
P9791
P2792
P4455
P4148
Atom HA2 of residue 75
P8428
P1686
P305
P5784
P1746
P2153
P1329
P7734
P6352
P4588
P12177
Atom H of residue 21
P456
P4237
P7518
P1859
P5361
P3473
P6381
P4280
P4938
P2702
P5498
P4701
P7363
P6291
Atom HG1 of residue 22
P9095
P1588
P7513
P5533
P6667
P2
P2296
P3341
LEU
P8054
P8362
P4736
P3640
P4725
P7294
P5792
P3617
P6655
Atom HB of residue 23
P7580
P2721
Atom N of residue 62
P1650
P2685
Atom C of residue 23
P6419
ListSingletonContainer374
P5952
P306
P1559
P4299
Atom O of residue 22
P2686
P7450
P7370
P4809
P13158
P6840
P3133
P4366
P8449
Atom HG3 of residue 48
P1611
P4158
P8403
P2793
P7519
Atom CA of residue 22
P6542
P2163
P8031
P9792
P11043
P8429
Atom N of residue 60
P5370
Atom CE of residue 48
P1
P7065
P1735
P1308
P5307
P5522
P3652
P7735
P3474
P4456
P8064
P2019
P4149
Atom HA3 of residue 75
P1687
P4702
Atom HD12 of residue 23
P5929
P6353
P4589
P3342
P5963
P159
Atom HB of residue 14
P5362
P12178
P4132
P6382
P5785
P4281
P4939
P2703
P5499
P5793
P3618
P6292
P6668
Atom HE21 of residue 49
Atom O of residue 117
P2154
P9096
P2188
P1589
P7364
P5534
P4238
Atom O of residue 4
P13159
P7514
P1747
P4737
P4726
P1556
P2302
P6656
P8238
P8055
P2722
P307
P1651
P2686
P6420
P7451
Atom HD11 of residue 8
P7295
Atom O of residue 51
P3641
P2297
P11044
Atom HZ1 of residue 6
Atom HE1 of residue 59
Atom HA of residue 23
P4159
P7581
P2687
P4810
P6841
P8361
P3134
P458
P4367
P8450
P5953
P3653
P5964
P2794
P4457
Atom HA of residue 5
P13160
Atom C of residue 55
P5371
P7066
Atom CA of residue 37
P1616
P5308
P5930
P5523
P2164
P1858
P8032
P3475
P2020
Atom NZ of residue 48
P4150
P7520
P7371
P4703
P1736
P8065
P5786
P8404
P6543
P9793
P6354
P4590
P3343
P5363
P8430
P4133
P1688
P6383
P8239
P4282
P4940
P7736
Atom N of residue 76
P2704
P5500
P4300
P1373
P12179
P5794
P3619
P6293
P6669
Atom N of residue 118
P9097
P5535
P4239
P160
P7365
P2155
P4738
P3642
P4727
P7515
P7296
P6657
Atom HE2 of residue 59
P1590
P5954
P2687
P8056
P1748
P6421
P2303
Atom HG1 of residue 9
P2168
P1861
PRO
P1652
P2688
P2799
P4811
P3654
P2298
P1566
P1374
P4458
Atom H of residue 6
P3135
P7582
P8363
P2189
P7452
P11045
P8451
P7372
P4160
Atom CG of residue 2
P6544
P6842
P9794
P2795
P308
P8033
P5372
P8405
P7737
P4368
P7067
P5309
Atom N of residue 61
P5524
P8431
P5965
ListSingletonContainer14
P0
P4151
Atom HD23 of residue 50
Atom HA of residue 25
P4301
P3344
P4122
P1620
P4704
P1737
P5787
Atom CA of residue 76
P6355
P4591
P8066
P7521
P3476
P6384
P2021
P4283
P4941
P2705
P5501
P6294
P2158
P9098
P3643
P12180
P1689
P1361
P5536
P1376
P97
Atom O of residue 55
P6670
P4240
P4728
P7297
P6658
ListSingletonContainer545
P7366
P457
Atom CG of residue 1
P1862
P2192
P2279
P7516
P2688
P3
P1749
P5364
P6422
P8235
P8057
P5931
P4739
P3620
P4161
P7583
P2170
P2689
P2800
P1594
P4820
P5955
Atom H of residue 48
Atom HG21 of residue 9
P6843
P4459
P1577
P3136
P1653
P2156
GLY
P4369
P7453
Multivariate Normal distribution 28
P8452
P7373
P1613
P8232
P2299
P3655
P8034
P11046
Atom HB2 of residue 25
P5795
P5377
Atom HD3 of residue 6
P7068
P1362
P5310
P6545
P5525
P13286
P9795
P3477
Atom N of residue 37
P2796
P309
P4152
P7522
P5932
P4302
P3345
P1378
P4123
P4705
P1742
P5788
P6671
LEU
P7738
P6356
P4592
P5966
THR
Atom HB3 of residue 8
P4812
P8067
P6385
P4284
P8406
P4
P4942
P2706
P5502
P8234
P6295
P459
P9099
P8432
P5537
Atom O of residue 44
P8489
P5365
P12181
P2022
P4241
P4740
P2726
P2193
P1601
P4729
P7298
P1690
P3621
P6659
P1363
P13287
P3644
P2280
P3
P7367
P2689
P6423
P1558
Atom HD11 of residue 30
P7517
P1578
P4162
P8058
P2690
P1654
P6844
P1379
P5796
P4460
P3137
P4370
P11047
P8453
ListSingletonContainer376
P8235
P5956
P8490
P2300
P2797
P7584
P3656
Atom CA of residue 9
P8035
P7454
P4303
P7374
P5431
P1750
P2157
P2167
P1860
P7069
P161
P4
Atom CA of residue 55
P5311
P460
P5526
Atom HB3 of residue 25
P5967
P8407
Atom HD13 of residue 69
P4153
P5934
P3346
P4124
P6546
P9796
Atom CD1 of residue 63
P6357
P4593
P8433
P4242
Atom C of residue 10
P3478
P4813
P6386
P310
P4285
P4943
P7739
P2707
P5503
P4706
P1747
P8068
P6296
P6672
P7523
P13288
P9100
P2197
P3645
P8238
P5789
P5538
P5366
P1380
P7375
P77
Atom N of residue 56
P4730
P1567
P12182
P1694
P6660
P1359
P1658
P2727
P2690
Atom HB of residue 9
P6424
P0
P4461
P7368
P2023
P7585
P4741
P4304
P7518
P4163
P2171
P2691
P8491
P7299
P3622
P5957
P8059
Atom CD of residue 57
P6845
P5797
P3138
P7455
P8454
P2281
P1863
THR
P2798
P8239
P3657
P1593
P3347
P1370
P1741
P2301
P4371
P7070
P1576
P5312
P7524
P6547
P5527
P9797
P3479
P11048
P357
P5375
P4154
P1751
P5935
Atom H of residue 15
P1570
P4125
P4707
P8036
P6358
P4594
Atom HA of residue 62
P1336
P4243
Atom O of residue 10
P4814
P162
P6387
P4286
P4944
P2708
P5504
P5968
P6297
P9101
P8069
P5790
P5539
P8408
P7376
P1371
P6673
P4731
P8434
P6661
Atom CB of residue 72
Atom C of residue 76
P3646
P12183
LEU
P2691
Atom OE1 of residue 57
P5367
P6425
P5798
P1696
P4462
P1
P462
P13289
P4742
P4305
P4164
P7369
P7519
P7300
P3623
P2805
P2548
P11049
P3139
P5376
P2024
P8060
Atom CG of residue 18
P7586
P2172
P8455
ALA
P1864
P2692
P3348
P1372
P3658
P2282
P5958
GLY
P6846
P8492
P4372
P6359
P7071
P4101
P5969
P5313
P2159
P5528
P7456
P358
P4155
P4945
Atom HA of residue 15
P2302
P4126
P8037
Atom HB2 of residue 62
P1579
P8409
P1752
P7525
P5933
P3480
bonded
P4815
THR
P6388
P4287
P6548
P9798
P2709
P5505
P8435
P5799
P4708
P6298
P6674
P9102
Atom O of residue 76
P3647
P1373
Atom CG of residue 8
P5540
P4245
P7740
P6426
P0
P7377
P8070
P13290
P4732
P6662
P5791
Atom OG of residue 72
Atom CA of residue 53
P3624
ListSingletonContainer546
P2692
GeneralizedGuinierPorodFunction 61
P1885
P5368
P12184
P78
P4463
Atom OE1 of residue 18
P4743
P4306
P5959
P4165
Atom CA of residue 10
P2694
P3349
P2808
Atom HB3 of residue 51
P7370
P6149
Atom N of residue 70
P7520
P3140
Atom CA of residue 56
P8493
P4373
P1560
P8456
P4102
P7301
P8061
P4244
P7741
P1693
P7587
P3659
Atom HG21 of residue 5
P11050
P2283
P5
P8358
P2025
P6549
P6847
P9799
P6360
P7072
P5314
P5529
P2169
Atom HA3 of residue 76
P7457
P1364
P362
P4156
P4946
P4127
P1565
P2693
P5970
P1580
P2160
P5936
P2303
P3481
Atom O of residue 53
P4816
P6389
P8038
P2710
P5506
P4709
P6299
P461
P1753
P7526
P1886
P7742
P9103
P5792
P5541
P6427
Atom HB3 of residue 62
P7378
Atom HA of residue 39
P4288
P4733
P5800
P8359
P6663
P8071
P8410
P3648
P1365
P2693
VAL
P6675
P5369
P8436
P3625
P4464
P4744
P4307
P12185
P4166
P3350
P7302
Atom CB of residue 9
P13291
P3141
P0
Atom HG22 of residue 9
P7588
P8457
P7521
P2803
Atom HG2 of residue 51
P5960
P1582
P8062
P3660
P2173
P1561
P4099
P6505
P3
P4374
P7073
P8361
Atom C of residue 55
P5315
P1566
P5530
P3482
P11051
P163
P2026
P4157
P5937
P6848
P8494
Atom HE3 of residue 29
Atom H of residue 53
P4128
ListSingletonContainer357
P4710
P7371
P6550
P8039
P9800
P7458
P6361
P7527
Atom HD13 of residue 71
P7746
P4817
P6390
P364
Atom HB2 of residue 39
P6676
P4947
P2711
P5507
P5971
P6300
Atom HG of residue 69
P9104
P2304
P2284
P5542
P6428
Atom HG2 of residue 62
P8437
P4289
P1754
P4745
P4734
P5801
Atom CD1 of residue 3
P6664
P3649
P7379
Atom HA of residue 51
P8072
P2694
P4246
P2161
P5370
P3626
P4465
P5793
P2546
Atom H of residue 29
P4308
P4100
P4167
P12186
P2548
P1
P3142
P6506
P4375
P8458
P40
P2804
P7372
P7743
Atom CA of residue 79
P3351
P7522
P164
Atom HG23 of residue 9
P3661
P1865
P1562
P11052
P7303
P5961
P8063
P2695
P13293
P6849
P7074
P1583
Atom O of residue 55
P5828
P7589
P5531
Atom HD21 of residue 71
P7459
P3483
P4158
P4129
P2174
P6362
P5972
P4818
P6391
P2027
P4290
P6551
P4948
P9801
P2712
P5508
P5802
P8362
P4711
P359
P5794
P6301
P5
P5938
P8496
P9105
P3650
P2305
Atom C of residue 53
Atom HB3 of residue 39
P5543
P6429
P8040
P7380
P6677
P1755
P2615
P7528
Atom HA of residue 29
P4735
P6665
Atom N of residue 79
P2695
P5371
P2285
P3627
P4466
P8073
P13292
P4746
P4309
Atom C of residue 29
Atom HB2 of residue 51
P4168
Restraint 28
Atom HG23 of residue 61
P4247
P8438
P3352
P2103
P6150
P2162
P7590
P7744
P1
P12187
P3143
P4376
P8459
P39
P2127
P8363
P5962
P7373
P3662
P7523
P4134
P2696
P8495
P7075
P7304
P5853
P8064
Atom N of residue 10
P5939
P5532
P13165
Model 226
P4712
Atom CB of residue 34
GaussianProcessInterpolation15
P7529
P6552
P1338
P9802
P6363
P11053
Atom CA of residue 40
P6850
Atom N of residue 21
P3484
P1563
P4819
ListSingletonContainer547
P6392
P4291
P4159
P2176
P4949
P7460
P2713
P5509
P5803
P6302
P1866
P9106
P2306
P5544
P6430
P3
P5973
P7381
P360
P2028
P1567
P1756
P2616
P8041
P4736
P6666
P5795
P4248
P8439
P1581
P6678
P7745
P5372
P2104
P3628
P4467
P2549
P1564
P4747
Atom HG2 of residue 40
P4169
P8074
P3651
P2286
P8237
P3353
P2171
P2696
Atom O of residue 29
P3144
P1329
P1339
P8460
P4310
Atom CE1 of residue 59
P12188
Restraint 14
Atom CA of residue 1
P11054
P2163
P7591
P3663
P6851
P4152
P7374
Atom HD12 of residue 3
P2697
P4
P4377
P7076
P7524
P6151
P5533
P7305
P5963
P4160
P8065
P8368
P5974
P4713
Atom CG of residue 34
P6364
P1568
P4249
P5940
Atom H of residue 18
P3485
P8238
P4848
Atom HG3 of residue 16
P6393
P4292
P1340
P4950
Atom H of residue 76
P7461
P2714
P5510
P5804
P6303
P1568
P7530
P9107
ASP
P1564
ILE
P5545
P5854
P6553
P13166
P6431
P9803
P7382
P2553
P1368
P7375
P6679
P4737
P6667
Atom HD13 of residue 61
Atom HB of residue 3
P8042
P361
P1348
P2697
P2029
P2580
P5377
ListSingletonContainer358
P3629
P4468
P5796
P1867
P8369
P4748
P2307
P4311
P4170
Atom HZ of residue 4
Atom HD23 of residue 71
P3652
P3354
P8489
P8075
P0
P1757
P8239
P5964
Atom CG of residue 14
Atom HD3 of residue 72
P4378
P8461
P2287
P8440
P2056
Atom HD3 of residue 37
P12189
P2550
P1369
P6152
P1569
P3664
Atom HD2 of residue 59
P2125
P3145
P2175
P2698
P7077
Atom HG3 of residue 40
P1350
P7592
P5534
P11055
P7525
P4131
Atom H of residue 1
P4161
P2164
P6554
P6852
P9804
ScoreState 42
P7306
Atom N of residue 17
P5829
P8066
P1507
P6365
P8490
Atom CA of residue 61
P4250
P13167
Atom HG13 of residue 17
P4869
P6394
P4293
P1560
P4951
P2715
P3486
P5511
P5805
P6668
P4714
Atom CG of residue 42
P6304
P5941
P9108
P1565
P1370
P5546
P6432
Atom HA2 of residue 76
P7462
P1684
P7376
P7531
Atom HB3 of residue 71
P4738
Atom CE2 of residue 59
P5797
P3653
P2581
P5431
P8043
P3630
P4469
GLN
P1508
P4749
P2308
P8236
P8441
P5975
P7383
P165
P4171
P6680
Atom CA of residue 74
Atom N of residue 9
P3355
Atom HB2 of residue 28
P2698
P2030
P1868
P7747
Atom N of residue 38
P2057
Atom HG23 of residue 12
P8076
P8462
Atom H of residue 24
P1372
Atom HE2 of residue 45
P1758
P2178
P6153
P7593
P3665
P2288
P12190
P2172
P5965
P3146
P2699
P4379
P7078
P8491
P5535
Atom N of residue 5
P4312
P7526
P166
P365
P5830
P6366
P11056
P7307
Atom HD21 of residue 60
P8067
P4251
Atom HB2 of residue 72
P5942
P1747
P8370
P7748
Atom HG21 of residue 17
P4870
P6395
P4294
P4162
P2165
P6555
P4952
P9805
P2716
P5512
Atom CZ of residue 59
P5806
P4715
P6305
P7532
P9109
P3654
P1685
P5547
P6681
Atom C of residue 74
P6433
P7463
P5976
P7377
P2180
P3487
P4739
P13168
P2551
P2699
P1561
P1509
Atom CA of residue 38
P3631
P4470
P4750
P8044
P7384
Atom HA of residue 24
P4172
P5375
P3356
P5798
P1567
P2582
P8371
P2544
P1832
P2058
P41
P3147
P4380
P8463
P8077
P1367
P1759
Atom N of residue 13
P6154
P3666
P2309
Restraint 66
P8442
P4313
P2173
P6669
Atom HZ of residue 45
P1869
P2700
P7079
P12191
Atom HD22 of residue 60
Atom HB of residue 3
P5536
P11057
P2289
Atom HB3 of residue 28
P5966
P2031
P4163
P5513
P2552
P4716
P5831
P7594
Atom H of residue 39
P6367
P7527
P4252
P7749
P7308
Atom HB3 of residue 19
P6396
P4295
P8068
P1501
P4953
P2717
P3488
P5807
P8492
P6306
P13169
P1748
P9110
GeneralizedGuinierPorodFunction 44
P3655
P4823
ListSingletonContainer548
P5548
P6556
P5376
P9806
P5977
P1679
P5799
P7378
Atom CA of residue 3
P2166
P5943
P4751
P4740
P42
P7464
P2700
P6682
P1562
P8216
P7533
P6434
P3632
P4471
P2545
P1833
Atom HG23 of residue 23
P4314
P4173
P363
P8045
P3357
P2583
P8443
P7385
P6670
P3148
Atom HD12 of residue 15
P4381
P8464
P8078
P6155
Atom HB2 of residue 18
P1502
P2310
P5967
P2701
P2290
P7080
Atom OD1 of residue 21
Atom HB3 of residue 48
P5537
Atom HG13 of residue 5
P12192
P2577
P4164
P3667
P2177
P1870
P5514
P2128
P8493
P4717
P1
P5832
P5944
P6368
P2059
P4253
P7595
P7750
P3489
P7528
P6397
P2032
P4296
P1760
P7534
P6557
P4954
P9807
P2718
P11058
P7309
P5808
ListSingletonContainer359
P6307
Atom HG of residue 20
P8069
P8372
P6149
P9111
P3656
P5549
Atom CZ of residue 72
P6435
P7465
Atom CB of residue 44
P0
P1742
Atom HA of residue 39
P5978
P4824
P6671
P318
P7379
P2701
P3633
P4472
Atom HG23 of residue 9
P5800
Atom HB3 of residue 18
P2167
P13170
P4752
P4741
Atom HD11 of residue 23
P4315
P7386
P4174
UnaryFunction14
P6683
P8217
P2584
P8046
P167
P3149
Atom HD13 of residue 15
P8465
P1680
1G6J_MODEL1.pdb
P8373
P2517
P3358
P6156
P3668
P8079
P1563
P2702
P4382
P11059
P7081
P5538
P8444
P2578
Atom HG23 of residue 70
P4165
P1504
P1871
P2291
P2060
P5979
P12193
P4718
Atom OD2 of residue 21
P5833
Atom HG2 of residue 48
P6369
P5968
P7596
P7751
P2311
P3491
P1824
P2129
P6398
P319
SingletonScore 9
P2033
P4297
P2181
P4955
P2719
P5515
P7529
P5809
P6672
P6308
P5945
P9112
Atom HB2 of residue 39
P7310
P44
P5550
P8070
P4254
P6436
P8494
P7380
Atom N of residue 21
Atom HG2 of residue 18
P7535
P13171
ILE
P4742
Atom C of residue 16
P1761
P6558
P3657
P9808
P4825
P2702
P6684
P1512
P6505
P3634
P4473
P4753
P7466
P4316
P4175
Atom CB of residue 9
P3490
P3359
P2585
P3669
P1681
P3150
P2168
P8047
P8466
Atom HD21 of residue 8
P8445
P7387
Atom C of residue 35
P168
P5969
P6157
DihedralSingletonScore8
Atom C of residue 34
Atom CA of residue 43
Atom N of residue 71
P2703
P4383
P2518
P7082
P8080
P5539
P1743
P5801
P1569
P4166
P2061
P5980
P4719
P5834
P7597
Atom HB3 of residue 39
P6370
P11060
P12194
P4255
P1516
P6559
P1872
P9809
P2292
P6399
P4298
Atom HG3 of residue 48
P8218
Atom HG3 of residue 18
P2182
P4956
P2720
P5516
P5810
P6309
P2034
P7752
P9113
P2312
P1825
P7530
P2130
P5551
P6506
P6437
P7311
P7381
P8071
PairScore 0
P5946
P8374
Atom HB3 of residue 54
P3658
P4826
P2703
P7536
Atom HH21 of residue 42
P4474
P3156
P1762
P4754
P7467
P4743
P4317
P43
P8496
P6673
P4176
Atom ND2 of residue 25
Atom HB2 of residue 15
P2586
P3670
P13172
P3635
P1686
P320
P5802
P6685
P8467
P2554
P8048
P3360
P6158
P0
P7388
P2
P2169
P2704
P8375
Atom N of residue 40
P4384
Model 113
P7083
P5540
P1744
Atom O of residue 34
LEU
P5970
P8081
P1570
P4167
P8219
Atom HG13 of residue 17
P2519
P5981
ListSingletonContainer549
P2548
P5835
P7598
P6371
P8446
P4256
P2179
P1873
P7753
Atom HD21 of residue 67
P2293
P12195
P6400
P4299
P4957
P2721
P5517
P11061
P8495
P6310
P5947
P6150
P9114
P1826
P2131
Atom HG2 of residue 54
P5552
Atom HD2 of residue 48
P6560
P6438
P9810
P3492
P2062
P7531
P7382
P7537
P7312
P2035
P6686
P8072
P3659
P4827
Atom H of residue 25
P2704
P13173
P2313
P3636
P4475
P3332
Atom HB3 of residue 15
P4755
P4744
P4177
P3361
Atom CA of residue 35
CHARMMStereochemistryRestraint5
P1763
P3671
P7468
P6674
P4720
P1566
Atom O of residue 30
GLN
P4385
P8468
P4318
P2563
P5803
P1510
Atom CA of residue 71
P1687
P6159
P2587
P8049
P5811
Atom HA of residue 54
P2705
P7084
P8447
P7389
Atom N of residue 19
P5541
Atom O of residue 43
P1753
Atom CG2 of residue 13
P4168
P8220
P2520
P5982
P8082
P321
P5836
P2170
P6372
P5971
Model 209
P4257
P7754
Atom HG21 of residue 17
P1336
P2294
P6401
P4300
P7599
P4958
P5518
P12196
Atom HA of residue 9
P6311
P1745
P9115
P1827
P2555
Atom HG13 of residue 70
P5553
P2192
P6439
ListSingletonContainer360
P3637
P8368
P2722
P4745
P7532
P2132
P1511
P6561
P3660
P9811
P3493
P11062
P2063
P7313
P4828
P2705
P8073
P5948
P8376
P4476
P6675
P4721
P6151
P4756
P7469
P4319
P4178
P7383
P2036
P6687
P7538
P3154
P2588
P3672
P5812
Atom CB of residue 30
P2314
P8469
P5804
P1764
P1874
P13174
P1755
P1683
P6160
Model 68
P8369
P1664
P7600
P2706
P8050
Atom OD1 of residue 39
P4386
P7085
P2549
P5542
Atom CA of residue 40
P7390
P5972
Atom HB2 of residue 54
P4169
P8377
P2521
P5837
PRO
P6373
P8083
P5554
Atom CD1 of residue 13
P4258
P7755
P5983
P6402
P4301
P8221
P5949
P4959
P2723
P5519
P8448
P6676
P6312
P2171
P9116
LEU
P3494
P1307
P3362
P12197
P2556
P7539
P6562
P6440
P9812
P11063
P3638
Atom HD12 of residue 67
P6152
P3661
P2295
P7533
Atom CA of residue 13
P4829
P169
P2706
P2193
P7314
P2133
P4477
P8074
P4757
P4746
P1828
P4320
P4179
P7384
P13175
P0
P4722
P3155
P2589
P2064
P322
P6688
Atom CG2 of residue 5
P1752
P4387
P8470
Atom CG of residue 63
P2553
P2037
P1765
P7470
P5813
P6161
Atom O of residue 62
P3673
P2315
Atom H of residue 47
P5805
P2707
P1
P7086
P170
Atom HD2 of residue 42
P5543
P8051
P3495
P4170
Atom OD2 of residue 39
P5984
P7391
P5838
P5679
P1351
P7601
P6374
P1358
P3363
ILE
P5555
P4259
P0
P8084
P6403
P323
P4302
P8222
P4960
P1875
P5520
P6677
P5973
P2550
P6313
P2172
P2183
P9117
P2557
Atom O of residue 9
VAL
P6441
P2522
P11064
P1751
P12198
P5950
P7756
P2724
P6153
Atom C of residue 40
P3662
P2296
P8450
P4830
P8370
P2707
P1660
P7540
Atom HD13 of residue 67
P1320
P7534
P5814
P45
P3639
P4478
P6563
P4758
P9813
P4747
P1829
P4321
P7315
Atom CD of residue 63
P4180
P5806
P6689
P8075
P8378
P2134
Atom HE3 of residue 27
P3674
P7385
P1352
JeffreysRestraint_P0
P4388
P8471
P1359
P4723
P5680
P7471
P2065
P6162
P2590
Atom CA of residue 19
Atom CG of residue 60
Atom C of residue 32
P1766
P2708
P13176
P7087
P5974
Atom CB of residue 62
P5544
P2316
P3496
P8371
Atom HA2 of residue 47
P4171
P8052
P5985
P5839
P2038
P1749
P6375
P8449
P3364
P7392
P4260
P8379
Atom H of residue 39
P6404
P4303
P8223
P7602
P4961
P1876
P2725
P5521
P46
P8085
P6314
P6564
P9118
P9814
P2558
P5556
P6442
P2523
P1756
P4724
P324
Atom HG12 of residue 13
P2184
P7757
P12199
P5815
P6678
P2173
P6154
P3663
P11065
P4831
P2708
P5951
Atom NE2 of residue 62
P3640
P4479
P4759
P4748
P2396
GLN
P7535
P4181
P7386
P1661
P7541
Atom O of residue 22
P7316
P8076
P2591
Atom C of residue 19
P3675
Atom N of residue 40
P8472
P2297
P4322
P2135
Atom HZ2 of residue 27
P5807
Atom CB of residue 18
P2066
P7393
P6163
P6690
P2551
P2709
P7472
P6376
P7088
P3365
P325
P5681
P5545
Atom O of residue 40
P3497
P1830
Atom O of residue 32
P4172
P1767
P11066
P5986
ListSingletonContainer361
Atom CE of residue 63
P4725
P5840
P7603
P8053
P2317
Atom HB3 of residue 46
P4261
Atom HB of residue 12
P6405
P4304
P8224
P4962
P1
P2726
P5522
P1757
P6679
Atom OD1 of residue 60
P6315
P9119
P2458
P7536
P5557
P6443
P5952
P13067
P1750
P4760
P4389
P5816
P2039
P6565
P1877
P6155
Atom HG3 of residue 16
P3664
P9815
Atom CG2 of residue 17
P12200
P2559
P4832
P5975
P2552
P2709
Atom O of residue 69
Atom O of residue 19
P7542
P7758
P3641
P4480
GLN
P6691
Atom CB of residue 40
P4749
P4323
P8372
P4182
P475
P2174
Atom N of residue 63
P2185
P2524
P3366
P8086
P2593
P7317
P1662
P8077
P8380
P8473
P2298
P2136
Atom HA3 of residue 47
P7473
P7387
P6164
P3676
Atom HG3 of residue 11
Atom NZ of residue 63
Atom HB3 of residue 6
P5808
P2710
Atom CG of residue 18
P6377
Atom N of residue 47
P7089
P2067
P5546
P3498
P7394
P4173
P1772
P11067
P4726
P5841
P5682
P1635
P2318
P48
P8373
P4262
P2592
Atom H of residue 62
P8054
P4305
P8225
Atom CB of residue 19
P4963
P13068
P4390
P2727
P5523
P1831
P5817
Atom HG23 of residue 30
P5976
P6316
P8381
P9120
P5987
P326
P5558
P476
P7604
P6444
P3642
P8087
P6406
P2040
P7759
Atom CG of residue 40
P1754
P6680
P1878
Atom C of residue 3
P6156
P3665
P7537
P2560
P4833
Atom HB2 of residue 33
P2710
Atom ND2 of residue 60
P1630
P12201
P4481
P7388
P6566
P4761
P9816
P4750
P4183
Atom CB of residue 69
P5953
P3367
P2564
Atom CB of residue 60
P6692
P7543
P2525
P8474
P4324
P7318
P2137
P1351
P5809
Atom CA of residue 40
P8078
P1822
P2175
Atom HE of residue 54
P6165
P3677
P2186
P1560
P2711
P7090
P2068
P1667
P5683
P1636
P5547
P1632
P3499
P1834
LYS
P4174
P7605
P7474
GLY
P11068
P2299
P4727
P5842
P6378
P7395
P4263
Atom O of residue 4
P4306
P8226
P4964
P8055
P2319
P4391
P2728
P5524
P5818
P6681
P5977
P6317
P9121
P1758
P5988
P2561
P5559
P2041
Atom H of residue 60
Atom C of residue 22
P5954
P6445
Atom O of residue 8
P3643
P8088
P6407
UnaryFunction6
P4766
P47
Atom HH11 of residue 54
P7544
P6567
P6157
P3666
P9817
P4834
P2578
P2711
P477
P13069
P2455
P4482
P7390
P1879
P4751
P7538
P12202
Atom HB3 of residue 33
P4184
Atom CG of residue 66
Atom N of residue 22
P7760
P3368
Atom CG of residue 18
P327
P2594
P3678
P1835
P8374
P8475
P1565
P4325
P1668
P7319
P6166
P6693
P8079
P1770
Atom HB3 of residue 19
P2187
P8382
P1634
P2712
P7091
P2176
P5548
P2526
P3500
P7396
P5810
P4175
P4762
P4392
P7475
P2
P11069
P2300
P2397
Atom HG23 of residue 3
P2138
P4728
P6318
P5843
P6379
P1317
P4264
Atom CE2 of residue 63
Atom CD of residue 40
P1759
P6408
P4307
P5684
P8227
P7606
P4965
Atom HG21 of residue 30
P2729
P5525
Atom HD22 of residue 73
P5819
P8375
P6682
P9122
P8056
P1562
P2562
P5560
P13070
P7761
P6446
P2320
P2069
P3644
P5978
P8383
P1836
P5989
Atom O of residue 56
P1630
P6158
P3667
P7539
P4835
Atom OE2 of residue 18
P8089
P2712
P2042
P5955
P7391
P4752
P4326
P4185
P7545
P1
P3369
P12203
P478
Atom CG2 of residue 5
Atom HA of residue 60
Atom HG2 of residue 19
P6568
P3679
P1880
P9818
P5811
P6694
P4393
P8476
Atom HA of residue 73
Atom HB2 of residue 15
Model 392
P328
P6167
P1665
P1771
P2595
Atom O of residue 26
P7320
Atom HH12 of residue 54
P5685
P8080
P2713
Atom O of residue 16
P7092
P2950
P5979
P8090
P5549
P2188
P3501
P1558
P4176
P2139
P4729
P6319
P5844
P6380
P4265
P2177
P7476
P11070
ListSingletonContainer362
P4483
P6409
Atom HE21 of residue 49
P2554
P4308
P8228
Atom H of residue 76
P4966
P4763
P2527
P2730
P5526
P7397
Atom CD1 of residue 61
P9123
Atom OE1 of residue 40
P5990
P2579
P5561
P7607
P6447
P8057
P3645
Atom HG22 of residue 9
P6569
P2549
P9819
P6683
P6159
P1631
P3668
P2321
P2327
Atom HB2 of residue 73
P4849
P2713
P2043
Atom HB2 of residue 60
P7762
P1837
P2398
P2951
P1
P4753
P2070
Atom C of residue 54
P5956
P13071
Atom HD12 of residue 73
P1760
P3370
Atom CB of residue 56
P7389
P3
P3680
P7540
P12204
P5820
P1366
P1666
P7546
VAL
P4394
P8477
P4327
P4186
P1881
P2175
P8376
P6168
Atom HB2 of residue 19
P1631
P5812
P2714
P7093
P7321
P7398
P5980
P8091
P6695
P8081
P2596
P5550
P8384
Atom HH21 of residue 54
P329
Atom HE22 of residue 49
P4177
P4764
P7477
P11071
P4730
P5845
P5686
P2189
P9124
P6381
P4266
P3502
P1367
P6410
P2563
P4309
P8229
P7608
P4967
P2731
P5527
P6320
P5562
P2178
Atom HA2 of residue 76
P6448
P2528
P2140
P4484
P4850
P8377
Atom H of residue 61
P1635
P8058
P4754
P7541
P6684
P479
P13072
P6160
P3669
P2322
P2714
P5957
P8385
P5991
P2952
P3646
P2611
Linear1DFunction 2
P6570
P9820
Atom HB3 of residue 73
P1763
P4328
P4187
P7547
P7763
P2460
P3371
P1368
P2044
P0
P6696
P2550
Atom HD13 of residue 73
P2176
P2071
P2555
Atom HA of residue 5
P8478
P7094
P12205
Atom CG of residue 56
P1882
P1571
P5821
P7392
P6169
P3681
P2715
P4765
P4395
P5981
P8092
P2597
P1632
P5551
Atom CA of residue 120
Atom NE2 of residue 40
P3503
P7322
P5813
P480
P4178
P8082
P11072
P4731
Atom H of residue 55
P330
P5846
P9125
P6382
P7399
P4267
P1561
P2399
P4485
P6411
P4310
Atom N of residue 37
P5687
P8230
Atom CD1 of residue 88
P2190
P4968
P2732
P5528
P5992
P6685
P6321
Atom HD11 of residue 30
P7478
P5563
GLY
P6449
P2529
P49
P3647
P2141
P2612
Model 15
P7609
P6161
P8059
P3670
P2323
P2715
P2179
P7764
P5822
Atom HD21 of residue 73
P4755
P2304
P4329
P7542
P4837
P4188
P1638
P3372
P2981
Atom HG2 of residue 49
P6571
P3682
P9821
Atom HG of residue 73
P2556
P7393
Atom CD2 of residue 4
P5958
P13073
P1
P4396
P8479
P7095
P1883
P2551
Atom N of residue 41
P1573
P2072
P12206
P1362
P6170
P2045
P6697
P7548
Atom CD1 of residue 56
P5814
Atom CG of residue 19
P2716
P1564
P8378
P5982
P8093
P2598
P1633
P5552
P3504
P4179
P11073
P7323
P50
P4486
P4732
P5847
P5688
P8083
P8386
Atom CG of residue 41
P6383
Atom HB2 of residue 72
P4268
P7610
P2191
P2400
Atom HA of residue 55
P6412
P4311
P481
P8231
P4969
P2733
P5529
P7400
P5823
P6686
P6322
P9126
P7479
P1363
P5564
Atom N of residue 89
P6450
Atom H of residue 40
P5993
P2564
P331
Atom CA of residue 37
P5959
P6162
P4767
P3671
P4838
P8379
P2716
P2552
P1633
P8060
Multivariate Normal distribution 41
P2982
P3648
P7549
P6572
P13074
P9822
P2530
P4756
P4330
P4189
P8387
P3373
P2180
P1638
P7543
P2557
P7765
P2324
P4397
P8480
P2142
P6171
P3683
P12207
ListSingletonContainer363
P2717
P7096
P2073
P1375
Atom HG2 of residue 34
P7394
P6698
P2599
P5553
P1884
P2046
Atom HD13 of residue 36
P4180
P4487
P4733
P5983
P8094
Atom HG23 of residue 30
P5848
P6384
P7324
P7401
P5815
P8084
P4269
P2
Atom HA of residue 40
P3505
P6413
P4312
P4970
Atom HB2 of residue 73
P2734
P5530
Atom CG of residue 24
P5824
P6687
P6323
P9127
P1568
P11074
P1319
P5565
P5689
P1643
P7611
P6451
P1640
P2953
P482
Atom CD of residue 19
P7480
P2565
P2251
P7766
P6163
P4768
P3672
P4839
P2717
Atom HG2 of residue 72
Atom CB of residue 109
P5994
P8061
P4757
P2401
P7544
P4190
P332
P5960
P3374
P4488
P7395
Atom HZ3 of residue 11
P2531
P3649
P2558
P2325
P8481
P6573
P5554
P2553
P9823
Atom HB of residue 55
P5816
P6172
P6699
P2181
P3684
P1888
P13075
P1376
Atom C of residue 44
Atom HG13 of residue 3
P2718
P1641
P4398
P7097
P2074
Atom CA of residue 17
P12208
P52
Atom HG22 of residue 3
P5984
P8095
Atom HG3 of residue 34
P2600
Atom HB2 of residue 40
P2143
P5690
P4181
P8380
P4734
P5849
Atom HB3 of residue 72
P7550
P6385
P4270
P3506
P7325
P6414
P2047
P4313
P8085
P1817
P4971
P8388
P2735
P5531
Atom CA of residue 25
P4331
P5825
P6688
P6324
P9128
P3673
P7481
P11075
P5566
P6452
P1569
P7402
P1378
P5995
P2566
P4196
P7612
P6164
P4769
P4840
Atom HG2 of residue 63
P2718
Atom HA of residue 19
P6574
P9824
P2954
P4758
P8381
P2554
P7767
Atom CG1 of residue 109
P8062
P3375
P4489
Atom CB of residue 39
P3685
P13076
P2402
P3650
P2559
P5961
P1889
P8389
P8482
P333
Atom N of residue 35
Atom O of residue 44
P5555
Atom HB3 of residue 40
P2532
P7545
P7396
P6173
P7551
P2719
P4399
Model 251
P1574
P7098
P5985
P8096
Atom H of residue 7
P2601
P2182
Atom HG2 of residue 38
P12209
P5817
P4182
P2326
P4332
P2075
P1341
P4735
P5850
P6700
P6386
P2144
Atom NZ of residue 63
P483
P4271
Atom H of residue 10
P3507
P6415
P4314
P5691
P4972
P2736
P5532
Atom HA of residue 11
P7326
P51
P6689
P4197
P6325
P9129
P3674
P5567
P7613
P2048
P1637
P2194
P11076
P7403
P2567
P1818
P6165
P1636
P4841
P2719
P6453
P7482
P7546
P3651
P1342
P4759
Atom CG of residue 69
P8086
P5962
P4770
Atom HG2 of residue 40
P5996
P4490
Atom CG of residue 39
P6575
P3686
P8063
P5826
P2560
P484
P7768
P8483
Atom OD1 of residue 21
P6701
Atom HG3 of residue 38
P2563
P2403
P3376
P2955
P334
Atom CB of residue 9
P6174
LYS
P7552
P2720
P4400
P2533
P1577
P7099
P5986
P8097
P7397
P2602
P5556
P1887
P13077
Atom CB of residue 40
P4183
P2676
Model 227
P2327
P9825
P4333
Atom HB2 of residue 11
P12210
Atom O of residue 84
P4736
P5851
P6387
P2145
P5818
Atom CB of residue 44
P2183
P3508
P2076
P8382
P6416
P4315
P4973
P2737
P5533
P6690
P6326
P4097
P9130
P3675
P11077
P7327
P88
P5568
P5692
P8087
P4272
P2555
P8390
P5997
P3652
P7404
P2568
P1813
P6166
P4771
P4842
Atom HA of residue 72
P2720
P6454
P7483
P5827
P7614
P4760
Atom CG of residue 63
P7769
Atom HA of residue 63
P4491
P4195
P3687
P7547
P8383
P2561
P2677
P8064
P4401
P8484
P4334
Atom HD2 of residue 38
P13078
P9826
Atom CD1 of residue 69
P2404
P3377
P7398
P6175
P5963
P1637
P5
P485
P2721
P7100
P2956
P6702
P2603
P7553
P5557
P3509
P5819
Atom CB of residue 23
P4184
P4737
P5852
P4098
Atom CD1 of residue 13
Atom CA of residue 11
P6388
Atom OD1 of residue 39
P4273
P6576
P2556
P8391
P2534
ASP
P5987
P8098
P6417
P335
P4316
P5693
Atom OD2 of residue 39
P4974
P2738
P5534
P5828
P2146
P6691
P6327
P2184
P7615
P9131
P3676
P2077
Atom HE of residue 72
P5569
P8088
P2328
P7328
P7405
P3653
Atom HG3 of residue 40
P2569
Atom CD of residue 40
Atom HE2 of residue 11
P6167
Atom HB2 of residue 63
P12211
P4843
Atom CG1 of residue 2
P2721
P6455
P11078
P5998
P7554
P5964
P4761
P1572
Atom CD of residue 63
P4772
P7484
P4492
P2562
P6
P8485
P4335
Atom H of residue 13
P8065
P9827
P3378
P7548
P6176
P6577
P3688
P7770
P1642
PairScore 8
P5856
P4402
P7101
Atom HA of residue 7
P2957
Atom H of residue 11
P2604
P5558
P1
Atom HH11 of residue 72
Atom CG1 of residue 23
P4185
P1814
Atom CG of residue 21
P4738
P7399
P486
P6703
P13079
P6389
Atom OE1 of residue 40
Atom CB of residue 6
P2655
P2535
P3510
P2405
P12212
P5988
P8099
P6418
P4317
Atom C of residue 11
P4975
P2799
P8392
P2739
P5535
P11079
P5829
P6692
P8374
P5820
P6328
P9132
P3677
Atom CD2 of residue 69
P2078
P8384
P5570
P4274
Atom H of residue 39
P2557
P2329
P7406
P2147
P336
P3
P7329
P2570
P5694
P8089
P7616
P6168
P4773
P4844
P2722
P6456
Atom HE21 of residue 40
P7485
Atom HB3 of residue 63
P3654
P7555
P4762
P4336
ListSingletonContainer381
P2185
P5999
P4493
P7549
P5965
P8393
P8486
P7400
P3379
P8385
P6177
Atom CB of residue 72
P1643
P8066
P8375
P2579
P8090
P6578
P3689
P2800
P13080
P7771
P4403
P9828
P7102
Atom O of residue 14
P5821
P6704
P2605
P5559
Atom HD23 of residue 43
Atom H of residue 10
P4186
P1815
P2558
P2406
P4739
P5857
Atom SD of residue 1
P6390
Atom O of residue 25
P5695
P4275
P2656
P3512
P2245
P12213
ListSingletonContainer382
Atom CD1 of residue 61
P6419
P4318
P4976
P2740
P5536
P5830
P6693
Atom CG of residue 16
P6329
P9133
P3678
P2536
P2079
P5989
P8100
P5571
Atom O of residue 11
P2958
P11080
P2571
P1514
Atom CB of residue 42
P6169
P4774
Atom N of residue 44
P7330
P7407
P2148
P4845
Atom HH12 of residue 72
P2723
P6457
P9829
Atom HG2 of residue 63
P6000
P3655
P337
P7556
P7617
P4763
P4337
P1420
P2330
P3511
Atom NE2 of residue 2
P7486
P8487
P89
P1640
P2186
Atom HB2 of residue 37
Atom CB of residue 25
P3380
P4494
Atom CG of residue 40
P487
Atom CG of residue 72
P5966
Atom HE22 of residue 40
P2615
P8091
P1820
P6579
P7772
P8067
Atom CA of residue 28
P4404
P7103
P7401
P2606
P5560
P1639
P3
P4187
P2726
P2559
Atom HB1 of residue 46
P3690
P6391
P5822
P4276
P2657
P3
P7408
P5990
P8101
P6420
P1
P5855
P6178
P6705
P4977
P13081
P2741
P5537
P5831
Atom CD1 of residue 15
P6694
P4740
P6330
Atom H of residue 69
P9137
P3679
ILE
P2246
P7550
P12214
P2959
P5572
P5696
P2407
P8376
P4319
P2537
P2572
P8386
P488
P7618
P6170
P4846
P2724
P6458
P9830
P11081
P7331
P7557
P4764
P4338
P2080
P2149
P338
P1515
P4775
P2331
Atom H of residue 42
P3656
P4
Atom HA2 of residue 10
Atom CG of residue 40
P5967
P2727
P7487
P8488
P6001
P7551
P12215
P1421
Atom CG2 of residue 7
P1821
P3381
P4495
P7773
ALA
P1641
P2650
P6706
P8092
P9134
P4
Atom O of residue 28
P4405
P7104
Atom CB of residue 42
Atom CG of residue 25
P8387
Atom C of residue 72
P2607
P2187
Atom CA of residue 9
P5561
P8068
P8377
P6179
P6580
P13082
P2560
P4741
P7402
Atom HD22 of residue 69
P3691
P6392
Atom O of residue 63
VAL
P5337
P2658
Atom HB2 of residue 46
Atom HA3 of residue 10
P6421
P4188
P4978
P2742
P5538
P2187
P5832
P5823
P6331
P3680
P2960
P90
P4847
P0
P5573
P4278
Atom HG2 of residue 1
P3513
P2408
P7409
P4320
P4765
P11082
P2573
P6695
P5991
P8102
P5697
P6171
Atom HB3 of residue 37
P6002
P2725
P1510
P6459
P9831
P2538
Atom CA of residue 44
P3657
Atom HG2 of residue 72
Atom CD of residue 40
P4339
P2081
P7332
P2150
P489
Atom HA of residue 69
Atom N of residue 9
P4776
P7558
P7619
P1418
P6581
P9135
P4406
P8489
P7553
P12216
Atom CA of residue 72
P4277
P3382
P4496
P8379
P2561
P7774
P7488
MovedSingletonContainer0
Restraint 7
P8093
P3692
P2332
P7105
P339
P2608
P5968
P5562
P2548
Atom CA of residue 41
P2565
P6180
P8069
P6707
Atom CA of residue 110
P6393
Atom CB of residue 63
P4852
P5992
Atom CD2 of residue 71
P5824
P1642
P5340
P2188
P2659
P6422
P4321
P4189
Atom HG23 of residue 12
P4979
P2743
P5539
P6696
P4742
Atom OE1 of residue 49
P6332
P8294
Atom H of residue 12
P3681
P7403
P5574
P5698
P1819
P2188
P3658
P7620
P4766
P5834
P2574
P6172
P3514
P7410
P8380
P8103
P2726
Atom HA3 of residue 10
P6460
P9832
P2539
P8388
P7559
P4340
P2151
Atom N of residue 32
P1511
P4777
GLN
Atom HG of residue 56
P11083
P2409
P6003
P7333
ListSingletonContainer383
P4497
Atom HB2 of residue 69
Atom OE1 of residue 40
P5969
P3693
P2961
P13410
P9136
P7489
P8490
Restraint 164
P7554
P12217
P490
P3383
Atom HB3 of residue 46
Atom O of residue 72
P2082
P5833
P6582
P4407
P7106
P4868
Atom H of residue 71
P2609
P5563
P7775
Atom C of residue 44
P2566
P4190
P8094
P2562
P2333
Atom CD1 of residue 71
P8389
PairsRestraint 0
P8070
P6394
Atom HG3 of residue 41
Atom H of residue 31
P340
P4279
P2660
P6423
P7404
P6181
P4322
P6708
P4980
P2744
P5540
Atom CG of residue 63
P0
P4743
P8381
P6333
P5339
P2189
P3515
P5993
P5575
P11084
P7411
P5825
P1643
P2575
P6697
Atom HD21 of residue 71
P6173
P4778
P3682
P2189
P2727
Atom N of residue 11
P6461
P3659
P1423
P8104
P5699
P7560
P7621
P13411
P8295
Atom CB of residue 72
P4341
P9833
P2540
P4498
Atom HA of residue 71
P3694
P7776
P7334
Atom NE2 of residue 49
P1512
P9297
Atom HD11 of residue 56
Atom H of residue 71
P8491
P2410
P6004
P12218
Atom HB of residue 12
P3384
Atom HA of residue 31
Atom O of residue 69
P5970
P2579
P2083
P7552
P98
P2152
P5333
P8095
Atom NZ of residue 11
Atom C of residue 4
Atom C of residue 41
P4408
P7107
P2962
P2610
P5564
P7490
P3516
P6583
P2336
P4767
P5826
P6709
P4
P8296
P6395
P2661
P8071
P6424
P1644
P2567
P7405
P6182
P4323
P4981
P2745
P5541
P5835
P4851
P4744
P6334
P5700
P4197
P341
P5576
P3660
Atom HB2 of residue 71
Atom HG3 of residue 42
Atom CA of residue 2
P2576
P6698
P5994
P1517
P2190
P6174
P4779
P3683
P2728
P4280
P6462
P9834
Atom O of residue 44
P11085
P491
P7561
P9298
GeneralizedGuinierPorodFunction 25
P8492
Atom CG of residue 72
P4342
P2190
P7412
P8378
P8105
P2337
P6005
P1422
Atom HG2 of residue 31
P7622
Atom CD of residue 63
Atom N of residue 50
P5334
Atom O of residue 41
P7335
Atom HE22 of residue 41
P2045
P3385
P4499
Atom CD of residue 2
P13412
P8298
P7777
Atom HD12 of residue 56
P2570
P2411
P7555
P12219
P2153
Atom HG1 of residue 12
GeneralizedGuinierPorodFunction 62
P8096
P6584
P4409
P7108
P8391
P2680
P5971
P5565
P7491
P3517
P2568
Atom CA of residue 1
P2963
P1646
Covariance1DFunction 18
P6396
Atom CB of residue 44
P492
P2662
P2084
P6425
P6183
P4324
Atom N of residue 8
P1519
P4982
P8072
P2746
P5542
P4768
Atom HD22 of residue 71
P5836
P2617
P4745
Atom H of residue 49
P5827
P6335
P7413
ListSingletonContainer375
P5995
P7406
P5577
P6710
P3695
P342
Atom C of residue 2
P6699
P5701
P6175
Atom HB3 of residue 71
P2729
Atom H of residue 1
P6463
P3684
P9835
P3661
P7623
P2564
P8493
P4343
Atom HA of residue 19
P4281
P2191
P4780
P2338
P11086
P8106
P13413
Atom NE of residue 72
P2191
P5335
P4410
Atom HA of residue 71
P7556
P12220
Atom C of residue 56
P7562
P8297
P2046
P3386
P7336
P4500
P8250
Atom CG of residue 58
P2800
P5972
P9139
P6006
P7407
P8097
P7109
Atom HB2 of residue 41
P5566
P7778
Atom N of residue 11
Atom HD13 of residue 56
P3518
ListSingletonContainer581
P2569
P6711
P4988
P4769
P2650
P4746
Atom CD of residue 19
P4195
P7492
P6397
P2412
P8390
Atom HA of residue 15
P6585
P2663
P2085
P2964
P2154
P6426
P6184
P4325
P2747
P5543
P1648
P6336
P8073
P5578
P493
P7
Atom CE of residue 6
P5828
P2565
Atom HB2 of residue 19
P6700
Atom C of residue 16
P4282
Atom N of residue 15
P6176
P7414
P3696
P6464
P9836
P11087
P3662
P5996
P5702
GridCPF
Atom CG1 of residue 44
P4344
P6007
P5837
P2192
P4781
P2339
P2543
P4501
P8251
P2730
Atom HA of residue 20
Atom CB of residue 41
P3685
P2192
P8382
P8107
P343
P5341
P4411
P8494
Atom N of residue 72
P12221
Atom O of residue 56
P7563
P7624
P3387
Atom HB2 of residue 15
P6586
P4989
P7779
P9140
P7337
P7408
P1516
Atom CD of residue 63
P2009
P7110
P5567
P13414
Atom CD of residue 42
P7493
P7557
P2570
P55
Atom OD1 of residue 58
Atom CG1 of residue 13
P4196
P2678
P5973
P6398
P4770
GLN
P8098
P4283
P2664
P3519
P2965
Atom HA of residue 19
P6427
P1645
P6185
P4326
P6712
P2748
P5544
ListSingletonContainer2
P4747
P5997
P6337
Linear1DFunction 23
Atom HB3 of residue 41
P2155
P5579
P3697
P8074
P2413
P2613
Restraint 67
Atom HD12 of residue 44
P6701
P5703
P6177
Atom HD11 of residue 8
P2086
P494
P7625
P6465
Covariance1DFunction 77
P3663
P5342
P2566
P7415
ListSingletonContainer554
P5854
P4782
P3388
P56
P4502
P2731
Atom CG of residue 41
Atom HD3 of residue 11
P3686
P2193
P7558
P5838
P1344
Atom CB of residue 56
P8301
P9837
P11088
P8495
P4345
P6008
P12222
P8108
P2193
P5974
Atom HB3 of residue 25
P13415
P1355
Atom CA of residue 1
P9141
P1956
P344
P7409
P7564
P4412
P4771
Atom HA of residue 44
P7111
P7338
P8252
P2679
P5568
P3520
P8383
P2571
Atom CE of residue 63
P6587
P2010
P7780
P6399
Atom HG2 of residue 41
P8099
P4284
P2665
P4986
P2340
P2614
P1347
P6186
P4327
P3698
P7494
P2749
P5545
P4748
P6338
P8302
P1360
P2966
P5580
P6713
Atom CB of residue 22
P8394
Atom N of residue 33
ClosePairContainer
P6428
P2567
P8075
P6702
P5998
P4783
P11089
P2414
P2087
P7416
P6856
P2732
P6466
Atom HD2 of residue 74
P3687
P4772
P5839
P3664
P2156
Atom OD2 of residue 58
P4346
Atom HG13 of residue 23
Atom HG22 of residue 12
P5704
P7626
Atom HG3 of residue 16
Atom HD23 of residue 73
Atom CG of residue 56
P4413
P9838
Atom HB of residue 44
P8496
Atom HA of residue 25
P8253
P2651
P7565
P7781
P6178
P3389
ListSingletonContainer366
P4503
P8413
P8109
P5338
Atom HB3 of residue 20
P8395
P9142
P2194
P6009
P7559
P7410
Atom HD21 of residue 25
P7112
P2194
P5569
Atom CD of residue 41
P3521
P7339
P12223
P2572
Atom NH1 of residue 74
Atom O of residue 70
P2363
P345
P13416
Atom HE21 of residue 41
P6400
P179
P4285
Atom HD22 of residue 15
Atom CB of residue 63
P6588
P2666
P4987
P6187
P4328
P6714
P3699
P2011
P7495
P2750
P5546
P5840
P4749
P6339
P495
P8100
P3243
Atom HG21 of residue 23
P5581
P5975
P0
P6429
P6857
P5705
P2342
P2967
P6703
Atom C of residue 13
Atom N of residue 74
P8076
P3688
GaussianProcessInterpolationRestraint 29
P2415
P2733
P6467
P4773
P3665
P5999
P2568
Atom HB2 of residue 25
P4347
P6179
P11090
P3390
P2157
P4504
P2652
P7417
P8366
P8497
P2088
P6010
P7627
P3700
P4784
Atom OE1 of residue 41
Atom HA of residue 14
P1921
Covariance1DFunction 0
P5374
P496
P9143
Atom NH2 of residue 74
P9839
Atom HG12 of residue 44
Atom CB of residue 70
P8110
P13417
P4414
P7113
P5570
P7782
P7560
P12224
P2573
P7411
P7566
P6589
P8254
P5976
Model 69
P6401
P8414
P346
P8101
P4286
P2195
P2667
P3522
P6430
P6188
P4329
P2751
P5547
P5841
P2364
Atom N of residue 102
P4750
Atom CA of residue 74
P6340
Atom CG of residue 63
P8367
P3689
P3244
P2195
Atom CA of residue 11
P5582
P7496
P180
P6858
Atom HG22 of residue 30
P2569
P7340
P7418
P6704
P6000
Atom N of residue 13
P6715
P8396
P2734
P6468
P2
P8077
P4774
P2968
P3666
Atom C of residue 37
P5706
P2416
P2012
P6180
Atom HG22 of residue 14
P2158
LEU
P5375
P7628
Atom H of residue 74
P7567
P4415
P9840
P11091
P8498
P4348
P4785
P3392
P4505
P9144
P2089
P7561
P8255
P7412
P2618
P7114
P8384
P8111
P8397
P5571
P3701
P6011
P57
P2574
P497
P5977
P7783
P6402
P7341
P12225
P6716
P4287
Atom CD2 of residue 15
P2668
P3523
Atom HD2 of residue 4
Atom CG1 of residue 70
P6431
P6189
P4330
P13418
P1922
P2341
P7497
P2752
P5548
P2196
P5842
P4751
P6341
P2196
P6590
P3690
P3391
P5583
GLY
P6859
P8102
Atom HA of residue 74
P3157
P8256
P6705
ListSingletonContainer567
P0
P347
P2735
P8364
P6469
P4775
P3667
P2361
Atom O of residue 37
P2570
Atom NE2 of residue 41
P8078
P4349
P7419
P4786
P11092
P2969
P4506
P6001
Atom C of residue 31
P2417
P6012
P58
Atom HD12 of residue 15
P4416
P8499
P2159
Atom HA of residue 19
P3702
P6181
P2344
P2013
P9145
Model 95
P2090
Atom CA of residue 71
P7413
P2619
P7568
P7629
P7115
P5343
P6591
P5572
P7784
P9841
Atom CG2 of residue 44
P12226
P0
P8112
P2575
P13419
P5432
P6403
Atom HD13 of residue 8
P7562
P7342
P4288
Atom HG1 of residue 7
P2669
P3524
P6432
P6190
P4331
P498
P5978
P2753
P5549
P5843
P4752
P8385
P6342
Atom O of residue 67
Atom CG2 of residue 70
P5584
P6717
P8365
P2197
P6002
P2197
P2571
P3158
P6706
Atom O of residue 33
P8103
P4787
P7498
P2365
Atom CA of residue 12
P2
Atom O of residue 31
P2736
Atom HD12 of residue 36
P6470
P1923
ListSingletonContainer367
P3668
P8398
von Mises sufficient 11
P4350
P6910
P7630
P8079
P3393
P2970
P348
Atom O of residue 61
P5707
Atom N of residue 42
P2345
P4776
P7420
Atom O of residue 71
P8500
P2160
P5979
P6182
P2418
Atom CD of residue 42
P7563
P2014
P9146
P11093
PairsRestraint 2
P6013
P7414
P2620
Atom HB2 of residue 19
P5435
P3691
P4417
P7116
P5344
P5573
P3703
P3525
P2576
P7569
P8303
P9842
P8386
P8113
P8399
Atom CD1 of residue 67
P6404
Atom CD1 of residue 44
P8257
P4289
P6592
Atom ND1 of residue 15
P6433
P6191
P4332
Atom HZ1 of residue 6
P7785
Atom H of residue 41
P2754
P5550
P7343
P12227
P5844
P2385
P4753
P6343
P2
Atom HG21 of residue 7
P7499
P2091
P4507
P5585
P2670
P13420
Atom HG21 of residue 66
P2198
P3159
P6707
P6911
Atom CB of residue 33
P6718
P4788
P2737
P8104
P6471
P4777
P3669
P6003
P8212
P2198
P2572
P11094
P4351
P7421
P60
P1351
P3394
P2971
P8080
Atom H of residue 3
P7344
P8501
Atom HE1 of residue 4
Atom HZ3 of residue 29
P5708
P5980
P7631
P3704
P6183
Atom CD2 of residue 67
Atom HE3 of residue 29
Atom CB of residue 71
P349
P8304
P9147
P2621
P7570
P7786
P1924
P4418
P7117
P2419
P5345
P499
P5574
P6014
P7564
Atom CD2 of residue 84
P2577
P9843
Atom N of residue 8
P2015
P6405
P4508
P8114
P7415
P4290
P2671
P13421
P5378
Atom HA of residue 41
P2343
P3526
P2161
P6434
P6192
P4333
P3692
P2755
P5551
Atom H of residue 44
phys
P5845
P4754
P6344
P5709
P1352
P6593
P12228
P8258
P5586
P6719
Atom H of residue 10
ARG
P8387
bonded
Atom HG22 of residue 7
P2573
P3160
P2386
P6708
P8213
Atom HG22 of residue 66
P2738
P6472
P4778
P2092
P3670
P500
P8105
P7500
Atom HE1 of residue 1
P4789
P6004
P8400
P2946
P7345
Atom N of residue 85
P6860
P5710
P1353
Atom HG2 of residue 1
P8081
P4419
P11095
P8502
P4352
P2199
Atom CG1 of residue 36
P5981
P6184
P7422
P9148
P6015
P59
P4509
Atom HG21 of residue 70
P350
Atom N of residue 30
P2622
P2199
P7632
P7118
P2420
P2972
Restraint 110
P5346
P5575
P3705
Atom HB2 of residue 41
P9844
P3395
Atom HA of residue 18
P3693
P1925
P2346
P4755
P7787
P2016
P6406
P7565
P8259
P2611
P7416
Atom CA of residue 36
P7571
P6594
P5379
P3527
Atom CA of residue 25
P8388
P8115
P6435
P6193
P4334
P8401
P2756
P5552
P5846
P6345
P5587
P2672
P12229
P3161
P1346
P2162
P2366
P6709
Atom CA of residue 85
P13422
P7501
P2739
P8232
P5711
P4291
Atom HG23 of residue 7
P6473
Atom CG of residue 67
P4779
P2947
P7423
P3671
P6005
P6720
P2574
Atom HG23 of residue 66
P4353
P8106
P4790
P2093
P4510
P8202
Atom OE1 of residue 18
P7346
P6861
Atom HD13 of residue 3
P1348
P3694
P8503
P5982
P7633
P6185
P8082
Atom HB2 of residue 18
P7572
P9149
P11096
P2623
P4420
P7119
P2421
P2973
ListSingletonContainer568
P2612
P5347
P5576
P3706
Atom HD13 of residue 23
P9845
P2200
P7566
P8233
P2053
P1926
P2347
P4756
P2200
P8305
P6407
Atom HD2 of residue 42
P3396
P6016
Atom HG12 of residue 30
P0
P2673
P5380
P3528
Atom H of residue 70
P6436
P6194
P4335
P1358
P7788
P2017
P2757
P5553
P8116
P351
P7417
P6346
P6721
P13423
Atom C of residue 25
P5588
Atom N of residue 36
P4292
Atom CD of residue 18
P6595
P2575
P3162
P12230
P6710
P4791
Atom HB3 of residue 41
P8389
P2740
P6474
P4780
P2917
P2163
P2367
ListSingletonContainer569
Atom C of residue 17
ListSingletonContainer368
P8203
P5712
P8107
P7502
Atom N of residue 67
P7347
P7424
P5847
P3672
P6862
P4421
P11097
P8504
P4354
P2094
P6006
Atom HB2 of residue 40
P8402
P3707
P6186
P6017
P9150
P8083
P3695
Atom HA of residue 70
P2624
P5983
P8306
P7120
P3397
P2580
P5348
CHARMMStereochemistryRestraint4
P5577
Atom CA of residue 7
P4511
P1360
P7573
P7634
P2354
P5554
P6596
P7789
P9846
P6408
P2201
P7418
P2674
P5381
P2054
P1927
P3529
P6437
P6195
P4336
P2758
P2422
P7567
P2974
P4757
Atom HG13 of residue 30
P6347
P2201
Atom HG2 of residue 41
P8390
P8117
P5589
P8403
P2018
Atom OD2 of residue 21
P3163
P6711
P352
P6722
ILE
P4792
P12231
P6007
P2741
P4293
P6475
Atom CA of residue 67
P5848
P3673
P2368
P13424
P2576
P2355
P2164
Atom CG of residue 42
P1391
Atom H of residue 10
P3696
P7503
P4781
P1316
P6863
P8108
Atom HD13 of residue 3
P7635
P4422
Atom HG3 of residue 24
P8505
P2918
P4355
P2095
ListSingletonContainer556
P2581
P5713
P5984
P6187
P9847
P3398
P7348
P7425
P8204
P9151
P2625
P0
P8084
P7121
P7568
P5349
P5578
P3530
P11098
P6018
Model 171
P5555
Atom H of residue 21
PHE
P6409
P2202
Atom H of residue 25
P4512
P7574
P3708
P2808
P5382
P6438
P6196
P4337
P8307
P2759
P2423
P5849
P2975
P4758
Atom HB of residue 70
P6348
P6597
P1928
P5590
P4294
P1354
P7790
Atom HE3 of residue 11
P3674
P8118
P7419
P13425
P2577
P3165
P6712
Atom N of residue 4
P2202
P2019
P4793
P2361
P2742
P6476
P12232
P2369
P6723
P4356
P8241
P8391
P353
Atom N of residue 25
P6008
OptimizerState 7
P5714
P3697
P4782
P11099
P7349
P7426
P6864
Atom HG3 of residue 41
P4423
P8506
P2165
Atom HG2 of residue 40
P8109
P1366
P5985
P6188
P7504
P3399
P61
P183
P8205
P9152
P3164
Atom CB of residue 22
P2919
P2096
P8404
P2626
P7636
P7122
P4513
Atom HG11 of residue 70
P5350
P1575
P5579
P3709
P8085
P9848
Atom HE2 of residue 4
Atom HB3 of residue 2
P7575
P2809
P8308
P7791
Atom HZ1 of residue 6
P7420
P2348
P6410
P6019
P7569
P4295
P5383
P3531
P6439
Atom O of residue 52
P6197
P4338
P1
P2760
P5556
Atom HG22 of residue 30
P1
P2203
P5850
Atom CB of residue 110
P4759
P6349
Atom CA of residue 5
P5591
P3675
P6598
P1929
Atom HA of residue 21
P2424
P8242
P6713
P8392
P8119
P6724
P8405
P2020
P2743
P6477
P3698
Atom O of residue 53
P2976
P62
P2578
Atom HE21 of residue 41
P12233
P2203
P4794
P3400
P4514
P354
P13426
P7505
P7350
P2370
P6865
P1578
P8507
Atom CA of residue 27
P184
P6009
P5986
P6189
P8206
P8110
P9153
P4783
Atom HG13 of residue 30
P11100
P2920
P2166
Atom CB of residue 52
P5715
P2627
PHE
Atom CB of residue 44
P4424
P7123
P4357
P1436
P7427
Atom HG2 of residue 27
P5351
P5580
P2097
P6020
P7637
P9849
P6411
Atom HG12 of residue 70
P3710
P5384
P3532
P6440
P6198
P4339
P7792
P2761
P5557
Atom HB3 of residue 21
P7570
P5851
Atom N of residue 111
P4760
P7421
P6350
P3
P7576
P6599
P2805
P0
P3699
P5592
P4296
P8309
P2204
ListSingletonContainer369
P8086
P3166
P6714
P2021
P4795
P8120
P2744
P13427
P6478
P1930
P2349
P3676
P6511
P1437
P5716
P2612
Atom H of residue 53
GLU
P7428
P12234
P2977
P4515
P6010
P6725
P2425
P8249
P8393
P6866
P2359
Atom C of residue 5
P2204
Atom CB of residue 61
P8508
Atom C of residue 27
P4358
P6190
P3401
P8207
P4870
P4784
P2167
P8111
P2628
P7638
P4425
P7506
P7124
ListSingletonContainer557
Atom HG3 of residue 27
Atom HB2 of residue 6
P5352
P4
GLU
P7577
P5581
P3711
P9850
P11101
P2921
P2371
P355
P8406
P5987
Atom HE22 of residue 41
Atom N of residue 22
P1438
P7354
Atom CA of residue 111
Atom C of residue 114
P8087
P6412
P2098
P7571
P1579
P4297
P5385
P8310
P3533
P6441
P6199
P4340
P9154
Atom CG1 of residue 44
P2762
P5558
P6021
P5852
P4761
P6351
Atom HG13 of residue 70
P2806
P3700
P5593
Atom CA of residue 4
P7793
P3677
Atom CG of residue 52
P7422
P6726
P3167
P64
P6715
P4796
P2205
P8245
Atom H of residue 4
P2745
P6600
P2613
P6479
P1931
P8394
P8121
P6512
P8407
GaussianProcessInterpolationRestraint 11
P2362
P2022
P4516
P4785
P12235
Atom O of residue 5
P6867
P4871
P8509
P5717
Atom HA of residue 5
P3712
P13428
P6191
Model 252
THR
P2426
P3402
P7429
P8208
P11102
P2978
P6011
Atom CD2 of residue 15
P1450
P2205
Atom C of residue 53
P2350
P7507
P7125
P4359
P6022
P7351
Atom CG1 of residue 3
P5353
Atom CA of residue 64
P8112
P5582
P4426
P3534
P2922
P2168
P5988
P9155
Atom O of residue 44
P2
P2629
P2812
P8088
P6413
P4298
P7578
P7639
P5386
Atom HD2 of residue 42
THR
P6442
P2363
P6200
P4341
Atom O of residue 114
P6601
P1
P7794
P9851
P2763
P5559
P2099
P1432
P5853
P2372
P6716
P4762
P7423
P6352
P1576
P3701
Atom HG23 of residue 22
P8246
P5594
P2580
P7572
Atom HG21 of residue 70
P8311
P4797
P185
Atom CA of residue 9
Atom OD1 of residue 52
P2746
P6480
P1932
P3678
Atom CA of residue 25
P6513
MD 20
P1451
P6727
Atom HZ3 of residue 63
P3168
P2206
Atom HB2 of residue 52
P6012
Atom H of residue 39
P8122
P356
P13429
P1
P3403
P7352
P4517
Atom CA of residue 3
P63
P6868
P4786
P8510
P4360
P12236
P6192
P2427
P8395
P8209
P7640
P5718
P2631
P2023
P9852
P7126
P7430
P5354
P5583
P4853
P3535
P8113
P9156
P7508
P1433
P7573
Atom HA of residue 33
P2364
P2206
Atom CD1 of residue 50
P3059
P6414
Atom CA of residue 23
P11103
P6023
P2979
P2169
P8408
Atom HB of residue 5
P5989
P5387
P2351
P4427
P2373
ASN
P6443
P6201
P4342
P1452
P1319
P8089
P5560
P2100
P5854
P4763
P6353
P7579
P8312
P5595
Atom HB of residue 5
P7353
P3679
P2630
P6602
P2764
P2923
Atom N of residue 23
P6717
Atom HG2 of residue 19
P3713
P7795
P3702
P7424
P2747
Atom HG22 of residue 70
P2
P2581
P6481
P1441
P6514
P1577
P2207
P8247
Atom O of residue 42
Atom OG of residue 86
P4798
P4518
P8396
P8123
P8409
P8090
GaussianProcessInterpolation61
P3169
P186
P6869
P4787
P8511
Atom CG1 of residue 26
P6013
P5719
P4299
P6193
P1933
P11104
P4361
P3404
P7431
P12237
Atom CA of residue 53
P8210
Atom HG11 of residue 5
ARG
Atom HB2 of residue 33
P13430
P2024
P7509
Model 126
P7127
P5355
P5584
P4428
Atom HB2 of residue 16
P1446
P6728
P5990
P7641
P4854
P2365
P8114
P2207
P9853
P6415
Atom HG3 of residue 42
P2428
P2980
Atom HA of residue 39
P7580
P5388
P7796
P2352
P3536
P1442
P2374
P6444
P407
P7425
P6202
P4343
P2810
P9157
P2765
P5561
P6024
P7574
P2170
P6718
P4764
P6354
P3714
P3703
P5596
P2582
ScoreState 11
ListSingletonContainer403
P3680
P2105
P8248
P4799
P2748
P6603
P6482
P2
Atom HG3 of residue 19
P1581
Atom CD2 of residue 50
JeffreysRestraint_P0
P8313
P4788
P2208
P4300
P2924
P4362
P1443
P4519
P6515
Atom HE3 of residue 63
Atom HG12 of residue 5
Atom CA of residue 43
P8091
P3170
P8124
P6870
Atom HB3 of residue 33
P6729
P13431
P8512
P6194
P1934
DistancePairScore 0
P3405
P8216
Atom HB3 of residue 16
P12238
P5855
Atom HG23 of residue 5
P6014
P4429
P7128
P7355
P131
P8397
P5356
Atom N of residue 87
P1
P5585
P3537
P11105
P1
ListSingletonContainer558
P2366
P5720
P7432
P6416
P6025
P1447
P8115
P7642
P5389
P7510
P6445
P408
P6203
P4613
P2632
P2811
P4855
P2025
P9158
P9854
P2766
P5562
Atom HE of residue 42
Atom CG2 of residue 26
P2429
P2175
P6719
P4765
P6355
Atom HB3 of residue 24
P8410
P2208
Atom HD12 of residue 56
P5991
P2353
P5597
P7797
P7575
P2984
P7426
P1582
P7581
P6604
P3715
P8314
P4800
P3704
Atom CG2 of residue 30
P2749
Atom HG13 of residue 5
P2583
P6483
P3681
P6516
Atom H of residue 50
P4789
P2155
P2375
P4301
P2925
P4363
P3406
P1439
P4520
P8092
Atom CB of residue 1
P3171
P5856
P8265
Atom C of residue 59
P6871
P5721
P2801
P8513
P7356
P7433
P6015
P8398
P8125
P4614
P6730
P8411
P6195
GLY
Atom HZ1 of residue 29
P8239
P2367
P2209
Atom H of residue 27
P4431
Atom CD of residue 42
P7129
Atom HD2 of residue 29
P12239
Atom HA3 of residue 76
P5357
P2171
P1455
P5992
P5586
P1307
P7643
P13432
P2985
Atom HG2 of residue 24
PairScore 1
P7582
Atom HD13 of residue 56
P9855
P6417
P11106
P5598
P5390
P2357
P7511
P3538
P6446
P6204
P8116
P2633
P4856
P9159
P1935
P5563
Atom N of residue 29
P2430
P7576
P2228
P6720
P4766
P6356
Atom C of residue 33
P1440
Atom N of residue 6
P2584
P2026
P6026
Atom OD1 of residue 59
P3682
P409
P4430
P2767
P4302
P2209
P7798
P4801
P3705
Atom CD1 of residue 30
P2102
P130
P7427
P2750
P3716
P6484
P5857
P187
P6517
Atom HB2 of residue 11
P4790
Atom CD of residue 48
P4615
P1459
P1580
P6605
P2802
P4521
P8315
P8093
P3172
Atom HA of residue 27
Atom O of residue 59
P6872
P8514
P1444
Atom HA of residue 8
P6731
P1704
P6196
P3407
P2376
P8126
P13433
P2926
P2210
P5722
P2380
P7130
P7434
Atom HZ2 of residue 29
P8214
P2368
P5358
Model 210
P5587
P11107
P4364
P12240
P6016
Multivariate Normal distribution 11
Atom HD3 of residue 29
LYS
P6027
P4767
P8399
P3717
P6418
P5599
LYS
P5993
P5391
P3539
P6447
P6205
Atom HG3 of residue 24
P2634
Atom HD21 of residue 56
P4857
P9160
P2768
P5564
P5858
P6725
P6357
P1460
P8117
P7583
P7644
P7512
P4602
P4303
P6606
P7799
P2027
P9856
P8260
P188
P7428
P8412
P2611
Atom CZ of residue 59
P3706
P1936
P7577
P7357
P2983
P2174
P2751
P1706
P8316
P6485
P3683
P6518
P410
P4791
P2210
P2431
P4522
P4802
P3173
Atom HB2 of residue 21
P1689
Atom CE of residue 48
P6017
P6873
P8515
Atom HD11 of residue 56
P3718
P6197
P8094
P3408
P2681
P1346
P2927
P6721
P2
P8400
P8127
P6732
Atom HB of residue 5
P8413
P7131
P2377
P8215
P5359
P7645
P5588
P3540
Atom HD1 of residue 4
P5723
P1819
P9857
P1347
P2172
ListSingletonContainer99
P2211
P7435
P12241
Atom CD1 of residue 59
P1453
P4432
P6419
Atom HG23 of residue 44
P2370
P4304
P13434
P5392
P7513
P7578
P7358
P8261
P6448
P6206
P2635
P4858
P9161
P2769
P5565
P11108
P6028
P5859
P4768
P6358
P5994
P2356
Atom CA of residue 29
P4365
P5600
P4603
P8118
P0
Atom CA of residue 6
Atom CG of residue 25
P7584
P2752
P6607
P6486
P3684
P7800
P1937
P4792
Atom HA2 of residue 76
P7429
P6733
Atom CG of residue 72
P2028
P3707
P3409
P4523
P8095
P3174
ListSingletonContainer559
P6874
P1454
LYS
P8516
P143
P6519
P2211
P3719
P8317
P6198
Atom NZ of residue 48
GaussianProcessInterpolation3
P2682
P2432
P6018
THR
P5724
P11109
P7132
P7436
P2378
Atom HD11 of residue 44
P8128
P5360
P4195
P5589
P13435
P1380
P2928
P414
P1820
P6722
P6359
P6420
P4366
P12242
P1703
P4305
P5995
P2231
P7646
P5393
P3541
P4871
P7359
P8401
P6207
P2636
P4859
P9162
P4433
P9858
P2770
P5566
Atom CG of residue 16
P5860
P7585
P7801
P2382
P7430
P5601
P4604
P2212
P6029
P7579
P6449
P8119
P7514
Atom O of residue 6
P8262
P2753
P8414
P6487
P3685
Atom CB of residue 16
Atom CA of residue 63
P6608
P8318
P1381
P3708
P132
P3410
P4524
P8096
P1938
P3175
P4769
P6875
Atom CD of residue 72
P1707
THR
P2029
P4793
P8517
P6520
P6734
P3720
P6199
P2683
P2433
P1683
P6723
P3
P7133
P4367
Atom HB3 of residue 6
P5361
P2212
Atom CD1 of residue 30
P5590
P3542
Atom CB of residue 36
P6019
P8402
P8129
P8415
P4434
Atom CD of residue 16
P2379
P2369
P6360
P6421
P11110
P2929
P4196
P5725
P4306
P5394
P4932
P7437
P12243
P6450
P415
P6208
Atom HA of residue 16
P2637
P4860
P9163
P2771
P5567
P6030
P5861
P140
ModelScoringFunction26
P7647
P13436
P7360
P8263
P5602
P4605
P9859
P3686
Atom HD2 of residue 42
P5996
P1788
P7515
Atom C of residue 63
Atom C of residue 20
P8120
P7802
P3709
P2213
P7580
P7431
P2754
P7586
P6609
P6488
ScoreState 29
ListSingletonContainer107
P1322
P1709
P1362
P4368
P3411
P4525
P8097
P1939
P3176
Restraint 29
P6876
P2030
P4435
P4794
P8518
P6724
P3721
P6200
P4109
Atom C of residue 22
Atom NE of residue 72
P5726
P2684
P7438
P4770
Atom NH1 of residue 42
P6020
P6521
P6735
P8319
P7134
P5362
P2181
P5591
P3543
P2434
Atom HE1 of residue 1
P8130
Model 16
P2213
Atom H of residue 30
P5997
P13437
P6422
Atom CG1 of residue 36
P1684
P189
Atom CG2 of residue 9
P4307
P7648
P5395
Atom OE2 of residue 16
P7361
P2380
P6451
P6209
P2638
Atom HG21 of residue 5
P7587
P4861
P9164
P9860
P2772
P5568
P11111
P2930
P12244
P6361
P3710
P4853
P8403
P5603
P4606
P7581
Atom HD13 of residue 44
P416
P3
P5862
P2214
P6031
PRO
P2383
P2755
P8121
P1789
P6489
P7516
P7803
P1363
P4795
P151
P3687
P8264
P190
P7432
Atom HG21 of residue 36
P8416
P3412
P4526
Atom CA of residue 3
P3177
P4771
P6877
P6610
P8320
P4436
P8519
P7135
Restraint 593
Atom CG of residue 7
P6522
P6736
P3722
P6201
P1940
P4369
P4110
P2685
ListSingletonContainer408
P8098
P5363
Atom CZ of residue 72
P5592
Atom H of residue 16
CHARMMStereochemistryRestraint1
P3
P7439
Atom HD21 of residue 15
P1705
P6423
P11112
P2435
P6021
P8404
P8131
P8417
P4308
P5396
P2031
P3544
P6032
P6210
P2639
P4862
P9165
P2773
P5569
P2931
P5863
P1685
P6362
P2214
P5998
P4854
P12245
P2381
P6726
Atom HA3 of residue 53
Atom HE2 of residue 1
Atom O of residue 63
P5604
P4607
P2
Atom HG22 of residue 5
Restraint 68
P6452
P5727
P7588
P2182
P7649
P13438
P1364
P7517
P7362
P6611
P7804
P9861
P144
P7433
P2756
Atom HB3 of residue 71
P1790
P6490
P8122
P4796
P7582
P3688
P4772
P4
P149
P4370
P4527
P1708
P3178
P6878
P4437
P8520
P7136
P2215
Atom O of residue 68
P6202
Atom HA of residue 16
P3413
ListSingletonContainer560
P6022
P411
P4111
Atom HG23 of residue 36
Atom CA of residue 72
P2686
P4
P8099
P3711
P1941
Atom CG1 of residue 61
P5593
P3723
P3545
P6523
P6737
P8321
P7650
P6424
P5728
P4309
P5397
P9862
P7440
P8297
P8132
P6453
P6211
P2640
P0
P4863
P13439
P9166
P1365
P2774
P5570
P2932
P2436
P6363
P4855
P7583
P6727
P2371
P5605
P5364
P4608
Atom HD11 of residue 71
P11113
P6033
P12246
P1686
P3689
P5999
P2032
P150
P5864
P2382
Atom N of residue 54
P8405
Atom HG23 of residue 5
P2215
P7363
Atom CB of residue 68
P2757
P7589
P2183
P1791
P6491
Atom CB of residue 63
P4797
P4773
P8123
P6612
P7518
P3414
P4528
P8298
P7805
P3179
P6524
P6879
P7434
P6738
P8418
P3712
Atom O of residue 16
P8521
Atom HG13 of residue 36
P1710
P3724
P6203
P4371
Atom HA of residue 33
P4112
P2687
P8322
P2216
Atom HB3 of residue 21
P4438
P7137
Atom C of residue 11
P5594
P3546
P6023
P412
Atom O of residue 8
P1366
P8100
P1942
P11114
P7441
P6425
P5365
P5729
Atom HD12 of residue 71
Atom HD3 of residue 54
P5398
MET
P6454
P6212
P2641
P4864
P9167
P2775
P5571
P191
ARG
P8406
P8133
P6364
P8419
P6000
P7651
P4856
P6728
P0
P5606
P4310
P9863
P2437
P1687
P4774
P7590
P7806
P2933
P12247
P2383
P2372
P7435
P6034
P7584
P2758
P4609
ListPairContainer 1
P13440
P2033
P6492
P3713
P7364
P2216
PairRestraint 0
Atom HB3 of residue 45
P5865
P142
P8266
P2184
P7519
P167
P4372
P3415
P4533
Atom CB of residue 70
P8124
P2051
P1792
P1367
P3180
Atom CG of residue 42
P6880
P6613
P4439
P4798
P8522
Restraint 122
P1323
P3725
P6204
Atom CB of residue 16
P4113
P2688
P4101
P2217
P6525
P6739
P8101
P6426
P7138
P5595
P3547
Atom HG3 of residue 18
P3690
Atom C of residue 63
P6024
P5366
P4311
P5399
P8323
P1943
P4775
Atom HB2 of residue 33
P6455
P413
P6213
P2642
P4865
P9168
P2776
P5572
P4529
P2384
P6365
Atom CZ of residue 42
P5730
Atom HD13 of residue 71
Atom HE of residue 54
P4857
P7442
P6729
P8134
P5607
P4610
P13441
P6493
P1368
P2438
P6035
P192
P7652
P5866
P8267
Atom CG1 of residue 70
P9864
P170
P12248
P1688
Atom HG3 of residue 11
P2759
Atom HD23 of residue 43
P2052
P6001
P2034
P8407
P2373
P7807
P11115
P7585
P7365
P7436
P7591
P6614
P3714
P3181
P4104
P2934
P6881
P8125
P2217
P4440
P7520
P4799
P8523
P6205
P4373
Atom N of residue 19
P3691
P4114
P1
P5731
P8420
P2185
P2689
SingletonScore 3
P6427
Atom N of residue 16
P7139
Atom N of residue 2
Atom HE3 of residue 27
P5596
P3726
P1793
P8324
P1369
P7443
P6025
P6526
P6740
Atom CZ of residue 114
P3416
P2387
P366
P5400
P8102
P1944
P3548
GeneralizedGuinierPorodFunction 38
P4776
Atom C of residue 71
P6456
P6214
P2643
P6002
P4866
P9169
P2777
P5573
ListSingletonContainer409
P4530
P6366
P7653
P4858
P2218
P5867
P6730
Atom NE of residue 42
P5608
P5367
P4611
P4312
P7592
P6494
P9865
P11116
Atom HE1 of residue 45
P2439
P8408
P8135
P8421
P7586
P1692
P2760
P1350
P12249
Atom H of residue 39
Atom HG3 of residue 62
P2374
P4800
P6036
P3692
ListSingletonContainer561
Atom HD13 of residue 43
P13442
P1370
P7521
P4374
P7366
P7808
P3182
P2935
P8268
P1
P6882
P7437
P2035
P3715
P8524
P8126
P3727
P6206
Atom HG22 of residue 7
P145
Atom H of residue 24
P367
P4115
Atom C of residue 42
P5732
P6615
P2690
P166
Atom CE2 of residue 45
Atom H of residue 8
Atom O of residue 71
P6527
P6741
P1442
P4441
P6428
P7140
P3417
Atom CG2 of residue 70
P1353
P5597
P1794
Atom CG1 of residue 3
P2388
P4099
P2218
P2186
P4617
P4313
P5401
P2546
P1945
P3549
P7444
P4777
P6457
PHE
P6215
P2644
P4867
Model 219
P9170
Atom HA of residue 3
P8103
P2778
P5574
P4531
Atom HB2 of residue 39
P6026
P6367
P1371
P4859
P6731
P5609
P5368
P6495
P11117
Atom CD2 of residue 71
P6003
P2
P8136
P13443
Atom NH1 of residue 114
P5868
P1693
Atom O of residue 46
P2761
P7593
P7654
P2440
P2219
P8269
GeneralizedGuinierPorodFunction 63
P6616
P7809
P3716
P9866
P4801
P12250
P7438
P1730
P4375
P3418
P6037
P8409
Atom HA of residue 38
P3183
P7587
P7367
P3693
P6883
P8525
P1
P5598
P6207
P4116
P5733
P8127
P2691
P2036
Atom HB3 of residue 18
P7522
Atom N of residue 70
Atom CB of residue 71
P1372
P4442
P6429
P4100
P7141
P6027
P2375
P4938
Atom N of residue 36
P8422
P3728
Atom C of residue 4
P2936
P147
Atom CD1 of residue 50
Atom H of residue 70
P2187
P1
Atom H of residue 71
P6528
P6742
P5402
P4778
P6458
P6216
P2645
P7655
P4933
P9171
Model 253
P2779
P3550
P5575
P6368
Atom CA of residue 95
P2219
P1795
P8104
P9867
P4860
P7445
P5869
P1690
P6732
P5610
P5369
P2615
P6496
P6
Atom CB of residue 46
P1381
P7588
Atom HA of residue 39
P369
P3717
P1946
P11118
P8410
P8137
P2762
P0
P8423
P6004
P2220
SER
P1373
P4802
P1731
P4314
P7594
P3419
P6038
P12251
Atom HG2 of residue 18
P3184
Atom HD22 of residue 71
P6884
P6617
P13444
P4443
P8526
P7368
P4532
Atom HB2 of residue 38
P5599
P7810
P6208
P2441
P4376
P3694
P8270
P6529
P7439
P4117
P6743
P1386
P5734
P2692
P7523
ListSingletonContainer115
P8128
Model 346
P4934
P6430
P7142
P3729
P2037
Atom N of residue 45
P1691
P193
Atom CG of residue 71
P2184
P11119
Atom C of residue 95
P3060
P2937
P6028
Atom C of residue 45
P5403
Atom CD1 of residue 67
P7446
P4779
P6459
P2376
P6217
P2646
P2188
P9172
P1447
P2780
P5576
P1822
ALA
Atom HA of residue 71
P6369
P4616
P4861
P5870
P6733
P5611
P5370
P1387
P6497
P8105
VAL
P6005
P7656
P1796
P2652
P3551
P7
ListSingletonContainer410
Atom HG21 of residue 17
P4315
P2220
P3718
P1947
P9868
ListSingletonContainer117
P194
P7811
Atom CD2 of residue 50
P8138
P0
P7440
P13445
Atom CA of residue 63
P6039
P7589
Atom HD13 of residue 44
Atom CG of residue 4
P4377
P2221
P3420
P3695
P8271
P2763
P12252
Atom HA of residue 7
P6885
P1725
P4444
P8527
P4537
P8411
P3730
P6209
P3061
Atom HD12 of residue 69
P7369
Atom CD of residue 31
P4118
P7595
P6618
P2693
P1451
P3185
P6431
P7143
P2442
P5735
P8129
P5600
P2038
P7524
P6530
P6744
P11120
P172
P8424
P2584
P2938
Atom CD2 of residue 71
P368
P4316
P5404
Atom CD2 of residue 67
P4780
P6460
P6218
P2647
P9173
P2781
P3552
P5577
P6029
Atom CD2 of residue 71
P6370
P3719
P4862
P5871
P6734
P2377
P5612
P5371
P4357
P2189
P4937
P6498
P2185
P3696
P4534
P1741
P1797
P8106
P7447
Atom CD2 of residue 8
P1352
P1452
Model 172
Atom HG22 of residue 17
P2221
P9869
Atom C of residue 63
P6040
P8490
P8425
P6006
P3421
Atom H of residue 50
Atom OE1 of residue 31
P2764
P7812
P7590
ListSingletonContainer562
P6886
P7441
P7596
P6619
P1948
P8528
Covariance1DFunction 90
P2222
P12253
Atom NZ of residue 33
P1823
Atom HG21 of residue 14
P3731
P6210
P171
Atom HD21 of residue 69
P4378
P1605
P4119
P5736
P7657
P2694
P13446
P7525
P3186
P7370
P4445
P6432
P7149
P2443
P150
P8272
Atom HG21 of residue 12
P8139
P370
P1722
P5601
P2039
P8130
P11121
P2133
P2585
P7448
P6030
P6531
P6745
P5405
P2182
P3059
P3553
Atom CG1 of residue 5
P4781
P6461
P6219
P4358
P2648
P9174
P2782
P5578
P4535
P6371
P3720
Atom H of residue 67
P4863
P6735
P2378
P5613
P5372
P4317
P6007
P6499
P1445
P3697
Atom OD1 of residue 39
P4983
Atom CG2 of residue 12
P2939
P8491
P2190
P8107
P9870
P1824
P2765
Atom CG of residue 74
P2101
P7658
P7591
P4379
P3422
P8140
P371
P13447
P1798
P3187
P168
P6041
P6887
P2222
P7597
P2183
P1949
P4446
Atom SG of residue 80
P8529
Atom CA of residue 42
P8273
P3732
P7813
P6211
P12254
P7442
P4120
P5737
P2695
P2223
Atom N of residue 26
P1
P1723
P6433
Atom O of residue 63
P7150
Atom HG of residue 69
P5872
P6620
P5602
P1446
P1606
P6532
P6746
P1735
P11122
Atom CD of residue 74
P8131
P2586
P2040
P3062
P7526
P195
Atom CG of residue 74
P4318
P5406
P3555
P1825
P6462
P6220
P8426
P2649
P9175
P2783
P5579
P2444
P146
P4536
P6372
P3721
P4864
P7371
P7449
P5614
P5373
P6500
P3698
P4782
P6031
Atom HD22 of residue 67
P6042
P4354
P4935
Atom N of residue 71
Atom OD2 of residue 39
P2766
P6008
P8108
P2940
Atom HG22 of residue 22
P2379
P2191
Atom CA of residue 26
P7659
Atom OD2 of residue 21
P3554
P4380
P3423
P8141
Atom HA of residue 30
P7814
P9871
P3188
Atom CB of residue 63
P8412
P6888
P7443
P8427
P4447
P8530
GaussianProcessInterpolationRestraint 42
P1556
P5873
Atom H of residue 56
P6736
P1600
P3733
P1799
P6212
P7592
P4121
P5738
P1736
P7598
P2697
Atom N of residue 81
P2224
P12255
P1724
Atom NE of residue 74
P2223
Atom HA of residue 67
P2547
P1510
P5603
P13448
P3063
P7372
VAL
P2654
P6621
P1377
Atom HE2 of residue 6
P1950
P7147
P8274
P6032
P2587
P7527
P6434
P8132
P5407
P11123
P4783
P6463
Atom H of residue 20
P6221
P2041
P9176
P2784
P5580
P196
P6533
P373
P6373
P6747
P4865
P1826
P5615
P5378
Atom C of residue 26
P4319
P2696
P6501
ListSingletonContainer116
P2445
P3699
P9872
P7450
P4355
P7599
P4936
P3722
P1612
Atom HD22 of residue 56
P2380
P2767
P1378
Atom CG2 of residue 12
Atom CG of residue 63
P2941
P7593
Atom CE1 of residue 15
P2192
P8109
P6043
Atom CZ of residue 74
P1514
P6009
P7660
P4381
P3424
Atom HD22 of residue 56
P4538
P1737
P3189
P6889
P8531
Atom HA of residue 6
P5874
P8142
P13449
P1800
P6213
P4123
P2675
P2225
ListSingletonContainer411
P8275
P8251
P2224
Atom H of residue 21
P7815
Atom CD of residue 16
P4448
P6435
P12256
P6737
P6534
P7444
P6748
P5604
P3734
P7373
Atom HG2 of residue 11
Atom HA of residue 56
Atom CZ of residue 74
P6622
Atom N of residue 96
P11124
P7148
P5739
P1512
P2588
P4873
P5408
P1379
P1951
PairRestraint 1
P1557
Atom HA of residue 56
P4784
P6464
P6222
P1727
P8133
P1625
P9177
P7528
P2785
P5581
P6033
P8143
P6374
P3723
P3077
P4866
P7451
Atom CG of residue 123
Atom NH1 of residue 74
P5616
P5431
P4122
P8428
P4320
P2042
P6502
P3556
P2446
P3700
P8252
P4361
P7600
P5875
P148
ListSingletonContainer563
P2768
P6010
P2193
Atom C of residue 9
P9873
P2381
P7816
P8110
P7445
P1738
P3190
P6044
P7594
P1828
P7661
THR
P4449
P8532
Atom C of residue 42
P6738
Atom CD of residue 29
P6214
Atom CA of residue 67
P4382
P3425
P4539
Atom HB2 of residue 56
P8429
Atom CA of residue 96
P169
P1597
Atom HE3 of residue 11
P1502
Atom CG2 of residue 26
P6436
P2942
P372
P6623
P5605
P3735
Model 70
Atom CD of residue 63
P12257
Atom HB2 of residue 56
JeffreysRestraint_P0
P11125
P6890
P5740
P2225
P13450
P2589
P7529
P7374
P6535
P6749
P2653
P2698
P4874
P5409
P2226
P8276
P6465
P6223
P1801
P9178
P2786
P5582
P1547
P8144
P6375
P8134
P4867
Atom C of residue 67
Atom HB3 of residue 28
P2385
P5617
P1726
P4321
P2043
P0
P5876
P3701
P6739
Atom NE of residue 74
P6034
Atom N of residue 4
P1626
P1952
P5376
P4362
P7601
P7662
P3724
P3557
P2769
P6503
P7452
P4785
P1503
P1507
PairRestraint 2
P6045
P7375
P4383
P3426
Atom CD1 of residue 123
P4540
P1739
P8111
P9874
P3191
ARG
P6011
P4
P8533
P2447
Atom CE of residue 29
P374
P7817
P6215
P7446
P6891
Atom H of residue 26
P13451
P4450
P6437
Atom HB3 of residue 56
Model 211
P6624
P5606
P3736
Atom N of residue 29
P8277
P8265
Atom HB3 of residue 50
P6224
P1508
P1399
P3064
P0
P11126
P12258
P6376
P2590
Atom CE of residue 63
Atom O of residue 67
P5377
P4124
P4322
P2194
P2699
P4875
P5410
P2943
P2227
P7595
P6466
P5741
P1504
P2048
P9179
P2787
P5583
P7453
P6035
P8145
P6536
P6750
P2226
P2171
P3725
P3558
P4933
Atom HG23 of residue 26
Atom HG2 of residue 33
P5618
P8135
P7530
P5877
P3702
P2159
P4786
ARG
P2386
Linear1DFunction 24
P8430
P7602
P1620
P6012
P1802
P1548
Atom CB of residue 41
P375
P2770
P6504
P6740
P4359
P9875
P7376
Atom HG of residue 67
P7663
P1953
P3427
Model 37
P1740
P3192
PairsRestraint 1
P8112
P8534
P6216
P4384
P6046
P4541
P1827
Atom C of residue 32
P1505
P7596
P1608
P197
P6892
P7818
P4451
P6438
P7447
P8431
P5607
P3737
P1509
Atom HD12 of residue 8
P1400
P3559
P4934
P2448
P8253
Atom HG of residue 50
P6225
P3065
P6377
P6506
P5742
P6625
P2591
P2049
Atom CB of residue 67
P12259
P6537
P4125
P6751
P4323
P2700
P4876
P5411
Atom HA of residue 41
P6467
P13452
P9180
P1957
P2788
P5584
P4787
P8146
Atom HG23 of residue 12
P3726
P11127
P2944
Atom CB of residue 66
P8278
SingletonScore 16
P5619
P1506
P7531
P5878
P6745
P198
P8136
Atom N of residue 27
P7454
Atom HG3 of residue 33
Atom O of residue 2
P2384
P2227
P2195
P1401
P2228
P6036
Atom C of residue 59
P2771
P6509
P6047
P3703
P4360
P7603
P1803
P2172
P1549
P7377
JeffreysRestraint_P0
P1621
P6013
P3428
P4542
P1457
P3193
Atom CD2 of residue 71
P1728
P7664
P4452
P8535
P1
Atom CG2 of residue 23
P1513
P1742
P6626
P3738
P7819
P6217
P8113
P9876
P4385
Atom NE2 of residue 41
P8254
P7448
P2949
P1958
P6439
Atom NZ of residue 63
P7597
Atom O of residue 32
P5608
P3560
P6741
P13453
P8498
P1609
Atom HD11 of residue 67
Atom O of residue 59
P377
P6893
P6507
P2592
P2449
P8279
Atom HD11 of residue 50
P4126
P4324
P2701
P4877
P5412
Atom H of residue 71
P12260
P6468
P6226
P9181
P2789
P5585
P4788
Atom HE21 of residue 49
P6378
P1518
P3727
P11128
P5620
P5743
P0
P1397
P3066
P5879
Atom O of residue 4
P8147
P6538
P6752
P4937
P8137
P7604
P7532
P2772
P6510
P1959
P9877
Atom CG of residue 67
P7455
P3704
P6037
P8432
P2196
Atom HG23 of residue 5
Atom HD12 of residue 3
P1550
P7378
ListSingletonContainer564
Covariance1DFunction 1
P1743
P2228
P7665
P2047
P2121
P1458
P4543
P1804
P3194
P2229
P6048
P8499
P1733
P1519
P1622
P6014
P4453
Atom HE2 of residue 63
P8536
P1346
P1351
P3739
P6218
P4386
P3429
P5
P8114
P6440
P7598
P1831
P6627
P5609
P3561
Atom HB2 of residue 71
P1601
P5744
P7820
P6539
P6894
P7449
P6753
P8433
P2450
P8255
P4127
P2702
P4878
P5413
P1602
P6742
Atom HD12 of residue 67
P6149
P6227
P3
P9182
P5586
P2
P12261
P181
P1347
P8148
Atom HD12 of residue 50
P6379
P1352
P2593
P3728
Atom H of residue 63
P5621
P4325
P13454
P1
P7533
P3705
Atom HE22 of residue 49
P6469
P1960
P2790
P11129
P7456
P8280
Atom CB of residue 59
P1832
P1769
P3
P7605
P6507
P1459
P1395
P3067
P4983
P2773
P8138
Atom CD1 of residue 67
P5880
P6038
P1791
P1
P4789
P6015
P3430
P2197
P1805
P9878
P3195
P7379
P1734
P7821
P2122
P4454
P8537
P376
P7450
P3740
P6219
P1551
P4387
P6049
Atom CA of residue 8
P7666
P1605
P2229
P8115
P6441
P2230
Atom H of residue 7
P8256
Atom O of residue 32
P5610
P6743
P1602
P199
Atom HB3 of residue 49
P1627
P7599
P6895
P6628
P1460
Atom HA of residue 63
P1833
P4128
P4326
P2703
P4879
P13455
P5414
P3562
P8500
P6228
P5745
P1509
P9183
P5587
P2451
P8281
P8149
P6540
P6380
P6754
P2594
P1396
P11130
P12262
P4544
Atom HD13 of residue 67
P5622
P5881
P6470
P6150
P2791
Atom C of residue 123
P1309
P4790
P1750
P7606
Atom CA of residue 12
P6508
P3729
Atom HG of residue 71
P6039
P2774
P4935
P2948
P3706
Atom CG of residue 59
P7667
P3068
P7534
P7380
P378
Atom CG1 of residue 36
Atom CD2 of residue 67
P7457
P8434
P1511
P2198
Atom CB of residue 2
P3196
P6050
P1792
P2123
P1461
P8538
P1552
P7600
P1631
P1806
P6220
P4097
P9879
P4388
P3431
P8502
P6016
P1607
P6744
P1827
P8139
P7822
P1404
P4455
P6442
Atom HB2 of residue 63
P7451
P6629
P5611
P3340
P8116
P3563
P1603
P2231
P6896
P1732
P2230
P2595
P200
P4129
P4327
P3741
P2704
P4880
P5415
P6471
P6229
P8435
P9184
P2792
P5588
P8257
P8150
P6381
P1751
P0
P3730
P2547
GLN
P379
Atom H of residue 9
P5623
JeffreysRestraint_P0
P5746
P0
P2452
P7458
P12263
P6541
P6151
P6755
P1462
P1410
P4791
Atom HB2 of residue 59
P13456
P4545
P6040
P2775
P1787
P4936
P11131
P5882
P3707
P8282
P6017
P7535
P7381
P8140
P4098
Atom HZ3 of residue 6
P7607
P9880
P3069
P3197
Atom OD2 of residue 32
P7668
P4456
Atom HB3 of residue 63
P8539
Atom H of residue 67
P6221
P4389
P3432
Atom HE22 of residue 2
P1624
P1553
P1759
P1807
Atom HZ1 of residue 33
P6443
P6051
P7601
P5612
P3564
P1604
P7823
Atom HG1 of residue 12
P2124
P3341
P1463
P8117
P1411
P2
P2232
Atom CA of residue 71
P8258
P6897
P7452
P3
P2231
P2596
P4130
P4328
P3742
P2705
P4881
P5416
P6472
P1828
P6230
P5747
P6630
P9185
P2793
P5589
P4872
P11132
Atom CG2 of residue 7
P6542
P6382
P6756
Atom CG2 of residue 36
P13457
P4546
P5624
P2199
P1603
P3708
P8283
ListSingletonContainer565
Atom HG23 of residue 9
P6152
Atom H of residue 41
P12264
P6746
P4792
P3731
P2453
P8151
P2776
P1645
P7459
Atom C of residue 4
P7382
P6041
P1788
P8141
P1
P6052
P7608
P1464
P7536
P3198
P5883
P6018
P8540
P8436
P1752
P6222
P3070
P4390
P3433
P7669
Atom C of residue 71
P381
P6631
P4457
P9881
P6444
P153
P7453
P5613
P3743
P1554
P1610
Atom H of residue 59
P1808
P3342
Atom HZ2 of residue 33
P1402
P7602
P6898
P2597
P8118
Atom O of residue 62
P4131
P2232
P2706
P4882
P5417
P2125
P3565
P2233
P8508
P6473
P1829
P6231
P9186
P2794
P5590
P4873
Atom HA of residue 41
P4793
Atom CB of residue 5
Atom C of residue 10
P6383
P7824
P3732
P6042
P5625
P8437
P4330
P1465
P3709
P4547
Atom O of residue 10
CHARMMStereochemistryRestraint7
P8259
P6153
Atom HG2 of residue 63
P11133
P5748
P12265
P8152
P6543
P2777
P6757
P5884
P13458
Atom CG2 of residue 12
P7537
P2454
P6747
Restraint 30
P1646
P9882
P3434
P7460
P8284
P1403
P3199
P1789
P8142
P2200
P7670
Restraint 69
P8541
Atom HD22 of residue 67
P4329
P7609
P6223
P1604
P4391
P6053
P7383
P6019
P0
P3343
P1611
P8260
P3071
P6445
P7603
P5614
P3744
P5418
Atom CG of residue 62
P1744
P0
Atom CD of residue 6
P6899
P6632
P2598
P4132
P5749
P2707
P4883
P1809
P7825
P2126
P8119
P1409
P3566
P1559
P2459
Atom CG2 of residue 124
P4549
P6544
P6474
P7454
P6232
P6758
P8143
P9187
P2795
P5591
P4874
Atom HG3 of residue 63
P6384
P3733
Atom HA of residue 67
P2234
P5626
P1466
P3
Atom HB2 of residue 41
P5885
Atom N of residue 62
P6154
Atom CG2 of residue 36
P13459
P4458
P4794
P8285
P6043
P2778
P2
P11134
P12266
SingletonScore 15
Atom O of residue 14
P2233
P6748
P8153
P380
P1834
P6224
P3435
P7610
Atom HD1 of residue 4
Atom CA of residue 3
P3200
P152
P3710
P4548
Atom CZ of residue 59
P1790
P6020
P1608
P8542
P201
P3344
P1606
P9883
P7538
P4392
P7384
P2201
P1560
P7461
Atom HE2 of residue 11
P7455
P8438
Atom H of residue 34
P6446
P6054
P8501
P1638
P7671
P5615
P3745
P5419
P3567
P1745
P6900
P2599
Atom HB2 of residue 67
P1614
Atom CD of residue 62
P4133
P4331
P2708
P4884
P1810
P7826
P1467
P3072
P7604
P6475
P6233
P8144
P6633
P9188
P8120
P4459
P2796
P5592
P4875
P202
P1306
P6385
Atom CG2 of residue 3
Atom CD1 of residue 124
P5627
P1931
P5750
P0
P5886
P8261
P6545
P6155
P6759
Atom CD1 of residue 36
P11135
P2235
P6749
P4795
Atom H of residue 11
P382
P8439
P3734
P1495
P8154
GLN
P2779
P1
Atom HB2 of residue 60
P2127
P12267
P6044
P6225
P2461
P8365
P2234
P7672
P13460
P1607
P3201
Atom HD2 of residue 63
P3711
P1794
P8543
P7462
P8286
P3746
P3345
P1468
P7539
P4393
P3436
P6055
P4550
P2202
P2
P7605
UnaryFunction23
P7611
Atom HB3 of residue 52
P9884
P6447
Atom HB3 of residue 67
P1558
P7385
P6021
P5616
P3568
P1612
P1746
P6901
ILE
P7456
P6634
P2600
P1496
P1620
P383
P4134
P4332
P2709
P4885
P5420
P1811
P8262
P6476
P6234
P1639
P8145
Atom HB of residue 36
P9189
P4460
P2797
P5593
P4876
P4796
P6386
P7827
P8121
P2457
P5628
ListSingletonContainer414
P6156
Atom HB2 of residue 34
P3073
P6750
P1933
P5751
P1469
P3735
ListSingletonContainer566
P6045
P6546
P2780
P6760
P13461
Atom HD3 of residue 63
P2236
P5887
P3712
Atom HB3 of residue 60
P8287
P3
P7612
P1606
P11136
P3437
P12268
P1799
P2235
P6022
P3202
P8155
Atom CA of residue 62
P8544
Atom HG of residue 67
P1497
P7463
P6226
P2128
P3346
P9885
P4394
P7386
P4551
P7673
P7828
Atom HB3 of residue 67
P7540
P6448
P155
P8366
P2203
P5617
P3747
P8440
P1747
Atom N of residue 53
P4461
P6056
P7606
P1
P6902
P2602
P1470
P4135
P2710
P4886
P5421
P1605
P3569
GaussianProcessInterpolation74
P6477
P7457
P6235
P8146
P9190
P2798
P5594
P4877
P4797
P6387
P3
P3736
Atom CD1 of residue 45
Atom CA of residue 61
P5629
P1640
P5752
P6635
P8122
P11137
Atom HA of residue 42
P6547
P6157
P6761
P6751
P1812
P8367
P8263
P2781
P4333
P3074
P2237
P5888
P3713
Atom C of residue 62
P8441
P2601
P3347
P3438
Atom CD1 of residue 59
P3203
P12269
P6046
P385
P8545
P6057
P8156
P1928
P7613
P3748
P13462
P6227
P7541
P4395
P4553
P1
P6023
P7829
P2134
P1
Atom HD11 of residue 67
Atom HB3 of residue 8
P7464
P8288
P1
P2129
P1471
P4462
P6449
P2236
P7674
P5618
P3570
P1334
Atom HA of residue 22
P1748
P6636
P9191
P1608
P9886
Atom H of residue 72
P1490
P7387
P6903
P7458
P1793
P2204
Atom CD1 of residue 15
P4136
P2711
P4887
P5422
GLY
P7607
P157
Atom HD21 of residue 60
P6478
P6236
P2804
P5595
P4878
Atom HG11 of residue 17
P4798
P6388
P3737
Atom C of residue 61
P5630
P1641
P8147
P6158
Atom HD11 of residue 67
P8123
P179
P4552
P8368
P1317
P6047
P1813
P7465
P2782
Atom CD2 of residue 59
P3075
P11138
P2238
P3714
P5753
P1472
P2135
P6752
P6548
P6762
P4334
P13463
P3348
P3439
P3204
P5889
P8289
P9887
P8546
P12270
P2389
P3749
P6228
Atom HD22 of residue 15
P4396
P8157
P7675
P7830
Atom HA of residue 72
Atom N of residue 57
P1491
P7614
P4463
P6450
P6058
Atom CA of residue 43
P2237
P6024
P5619
Atom CA of residue 53
P4595
Atom HD12 of residue 67
Atom HA of residue 15
Model 296
Atom CB of residue 61
P1749
P2130
P9192
P1609
P7542
P7608
Atom HA of residue 19
Atom HD22 of residue 60
Atom HZ1 of residue 27
P6904
P7388
Atom HG12 of residue 17
P4137
P8442
P2712
P4888
P5423
P154
P6479
P0
P6237
P8148
P2205
P6637
P1473
P2807
P5596
P4879
Atom HE3 of residue 63
P4799
P6389
P1929
P5754
P3738
P0
P176
P4
P6549
P7459
P5631
P6763
P6159
Atom HD12 of residue 67
Atom OG of residue 65
P6753
P384
P4335
P8124
P7466
P2783
P5890
P3715
P8369
P1642
P2603
P2086
P6048
P11139
P8443
P3205
Atom HB2 of residue 72
Atom HB2 of residue 15
P1492
Atom CE1 of residue 45
Atom HD2 of residue 19
P1814
ILE
P4464
P3076
P8547
P7615
P6229
P3349
P4397
P2239
P12271
P4554
P2390
P6025
P7831
P1474
P8158
P13464
P1613
P9888
P6451
P5620
P4649
P8290
P7460
P1753
P2131
P7543
Atom HZ2 of residue 63
P6059
P6905
P7676
Atom CG of residue 59
Atom HD22 of residue 56
P4138
P4336
P2238
P3750
P2713
P4889
P5424
P7389
P6480
Atom HZ2 of residue 27
P6238
P8149
P9193
P3092
P5597
P4880
P4800
P386
P6390
P3440
P7609
P5632
P2206
P6638
P2802
Atom HD13 of residue 67
P3716
Atom O of residue 11
P6160
P1930
P2604
P6754
P5755
P1501
P7467
P6550
Atom CD1 of residue 61
P2784
P1643
P6764
P1475
P8125
P11140
Atom H of residue 65
P5891
Atom HG of residue 67
Atom NH2 of residue 72
P6913
P3350
P3739
Multivariate Normal distribution 29
Atom C of residue 57
Atom HA of residue 56
P3206
P6049
P13465
P1815
P2087
P4465
P8548
P7677
P6230
P4650
P4398
P2240
ListSingletonContainer415
P4557
P1754
P12272
P6452
ListSingletonContainer120
P1507
P6060
P8159
P5621
P3754
P7832
P7610
P2391
P7616
P2136
P1614
P9889
P2803
P5598
P6914
P6906
P1648
P6026
P3093
P3441
P4139
P4337
P2714
P4890
P5425
P2132
P1476
P7544
Atom HZ3 of residue 63
P6481
P6239
P8150
P6639
P9194
P4881
Atom HD21 of residue 67
P7390
P4801
P6391
P1934
P8444
P5633
Atom CD1 of residue 36
P2239
P2207
P5892
Atom CB of residue 11
P6161
P2605
Atom C of residue 30
P158
P1312
P4555
P6755
Atom HG21 of residue 3
P3751
P3740
P7468
P8371
Atom HB2 of residue 56
P2785
P180
P3717
P7461
P5756
P8126
P1508
P6050
P6551
P6765
Atom HA of residue 65
P1755
P3207
P7617
P4466
P11141
P8549
P8445
P6027
P6231
P3351
P1720
P1477
P4399
P7833
Atom HB2 of residue 4
P9890
THR
P12273
Atom HA of residue 60
GLY
P1650
P7678
P5622
P8370
Atom CA of residue 25
P8160
P13466
P1816
P2088
P7545
P5599
Atom N of residue 16
P6907
P4596
P6453
SER
P3442
P4140
Atom H of residue 36
P4338
P2715
P5426
P6061
P7611
P2392
P6482
P6240
P9195
P4882
P2241
P6392
P3752
P2133
P1610
P1498
P7391
Atom HB3 of residue 56
P7462
P5634
P2208
P1336
P5893
P3718
P6162
P2606
P6916
P6756
P1935
P5757
P8151
Model 347
P6640
P3741
P11142
P4802
P6552
P2786
P6766
P1756
P2240
P4891
P1721
Atom CB of residue 42
Atom N of residue 64
P7469
P1478
P8127
ListSingletonContainer122
P3078
P3208
P1821
P4467
P8550
Atom HB2 of residue 65
ListSingletonContainer417
Atom HB2 of residue 60
P6232
P3352
P1338
P4400
Atom C of residue 25
P6051
P13467
P7834
P6062
Atom H of residue 1
P7618
P3443
P1499
P4556
P6028
P5623
P12274
Atom HA of residue 32
Atom HD13 of residue 15
P8161
P6908
P7679
P4597
P6454
P4141
P4339
P6641
P2716
P5427
P1709
P2089
P9891
Atom O of residue 63
P6483
Atom CA of residue 53
P6241
P1647
P1932
P2
P9196
P5600
P4883
P6917
P6393
Atom HD12 of residue 36
P3753
P1479
P1611
Atom O of residue 30
P7546
P7612
P8291
P7463
P5635
P1758
P4892
Atom NH1 of residue 42
P7392
P5894
P3719
P2393
P6163
P8446
P2607
P2134
GLU
P6757
Atom HG of residue 56
P8152
P3742
P2242
P7470
P2787
Covariance1DFunction 19
P6052
Atom OE2 of residue 34
P1822
P1500
P8373
P2209
P3353
P11143
P3444
P156
P5758
P8128
P3209
P6553
P6767
P4468
P3079
P8551
Atom HD23 of residue 67
P6233
P4401
P2241
P7835
P9892
P1480
Atom H of residue 60
P4558
P7680
P5624
Atom C of residue 53
P7619
P12275
P6909
GLU
P6029
P4598
P6455
Atom HE3 of residue 27
ListSingletonContainer121
P8292
P8372
P8162
P5636
P4142
P4340
P2717
P13468
P5434
P1710
P2090
P7613
P6915
P6484
P6242
P9197
P5601
P4884
P6394
P7547
P1760
P6642
P4893
P6164
P2608
Atom HZ1 of residue 63
P6063
P7393
P6758
P6554
P7464
P6768
P7471
P2788
Atom H of residue 22
P2135
Atom HB of residue 9
P8153
P1481
Atom HE3 of residue 6
P2243
P1937
P2210
P3743
P3445
P2
P1612
P3210
P6053
P2394
P5759
P8129
P4469
P11144
P8552
Atom HB2 of residue 28
P5428
P6234
P3354
Atom H of residue 6
P4402
P4559
P3
Atom HE1 of residue 1
P6914
P7620
P6030
P5625
P3755
P13469
P3080
P5895
P3720
P7465
P2242
P3
P9893
P7836
P4599
P6456
P12276
Atom CA of residue 46
Atom O of residue 53
P5637
P4143
P4341
P2718
P1711
P6064
P8163
P6485
Atom H of residue 34
P6243
P7681
P9198
P1482
P5602
P4885
P6395
Atom HG12 of residue 3
ListSingletonContainer416
Atom CA of residue 51
P6918
P6165
MovedSingletonContainer6
P1818
P2609
P7548
P7614
P8293
P6759
P8154
P1757
P6643
P3744
P7394
P7472
P2789
P4894
P2136
Atom CG of residue 49
P2091
Chain A
P6555
P6769
P1938
P8449
P5429
P3355
P11145
P4403
P3446
P4
P3211
Atom N of residue 68
P1472
P8375
Atom CB of residue 6
P5760
P4470
P8553
Atom CD of residue 34
P2211
P6235
P8130
P2247
P5896
P4560
P6054
P1483
P7144
Atom HE2 of residue 6
P7682
Atom CA of residue 7
P185
P5626
P3756
P3081
P7466
P2243
Atom HB3 of residue 21
P7837
P1625
P4600
P6457
P7615
P2395
P0
P5638
P4144
P4342
P7621
P2719
P1712
P9894
Restraint 167
P6065
P12277
P3721
P6486
P6244
Model 425
P6031
P9199
Atom CA of residue 17
P5603
P4886
P159
P6919
P8294
P8374
LYS
P8164
P6396
P13470
P0
P7549
Atom HB3 of residue 28
P3
P6644
P1473
P6166
P2610
P6760
ARG
Model 173
P2790
P4895
P2137
P1484
P3745
HIS
P7395
P8554
Atom OE1 of residue 34
P5430
P3356
Atom HG3 of residue 2
P3447
P5761
P8155
P3212
P7473
P6055
P6556
P6770
P4471
P1936
Atom HD23 of residue 50
P3757
P6236
P2092
P5897
P4561
Atom N of residue 46
P7622
P8131
P11146
Atom CG of residue 34
LYS
P6032
P8448
P5627
P4404
P1474
P3722
P6912
P7467
P4
Atom CD of residue 49
Atom CB of residue 16
P6920
P2244
P2212
P7683
P13471
P3082
P4601
P6458
P2248
P5639
P4145
P4343
P2720
P1713
P1485
P6487
P6245
P9200
P5604
P4887
P12278
P2396
P6397
Model 254
P6066
P7616
P8165
Atom HB2 of residue 16
P3746
Atom CA of residue 68
P6167
P9895
P6761
P2791
P8447
P4896
P7550
P8295
Atom N of residue 22
P6645
P11147
P8555
Atom OE2 of residue 34
P7396
P6557
P6771
P5436
P2722
P3357
P3448
P5898
P5762
P3213
P7474
Atom CA of residue 29
P8156
P4472
P1939
P6237
P2138
P1486
P1615
Atom H of residue 68
P8377
P6913
P6067
P8132
Atom CB of residue 41
P2093
von Mises sufficient 14
P1464
ALA
P6056
P2387
PairsRestraint 8
Atom CD1 of residue 43
P5628
P3758
P4562
P7468
P7623
P3723
P6921
Atom H of residue 42
P6033
P4603
P6459
P5640
P4146
P4344
Atom OE1 of residue 49
P2721
P1714
Atom C of residue 68
P6488
P6246
P2213
P7684
P7838
P9201
P3083
P5605
P4888
P161
Atom HD3 of residue 42
P6398
P2245
P6646
P9896
P4405
P12279
P3747
P7551
P5899
P8296
P8376
P8166
Atom HA of residue 62
P6168
P13472
P8214
P7617
P6762
P2723
P1487
Atom HG11 of residue 17
P2792
P4897
Atom C of residue 68
P4602
P1465
P5672
P3358
Atom HA of residue 68
P3449
P7397
P6057
P2397
P1616
P3214
Model 221
P4473
P11148
P8556
Atom HB2 of residue 40
P5860
P5763
P8157
P3759
P6238
P2139
P7475
P4563
P6558
P6772
P6068
P3724
Atom CG of residue 41
P5629
P8133
Atom CB of residue 116
P2094
Model 382
Atom CD2 of residue 43
P7685
P1488
P6460
P4406
P7469
P5641
P4147
P2388
P4345
P7624
P2722
P6489
P6247
P6034
P2214
P13473
Atom O of residue 68
P9202
P5606
P4889
P5861
P6399
P9897
Atom O of residue 68
P7618
P1940
phys
P7839
P1723
P3084
P12280
P5900
Atom C of residue 48
Atom HB2 of residue 62
P6169
GeneralizedGuinierPorodFunction 4
P6763
P8167
P2246
P6647
P163
P3725
P6922
P2793
P5764
P4898
P2679
Atom C of residue 5
P6559
P6773
P8215
Atom HG12 of residue 17
P1466
P2398
P3359
P7552
P3450
THR
Atom CZ of residue 45
P7398
P7476
P5433
Model 96
P8557
LEU
P7840
Atom CB of residue 68
P6239
P6058
P8158
P3215
P11149
P6069
Restraint 1
P1489
P4475
P4407
P8379
Atom HD3 of residue 38
P5630
P3760
P3748
P4564
P7470
P7625
P8134
Atom CD of residue 41
P2095
P1475
P6035
P2140
P6461
Atom HB2 of residue 68
Atom CG of residue 116
P5642
P4148
P4346
P2723
P6923
P6490
P6248
P9203
P5607
P4890
P5862
P6400
P7841
P4604
Atom HG2 of residue 40
P2389
P7686
P1724
P3085
P5901
Atom O of residue 48
P6170
Atom CD1 of residue 61
P2680
Atom HB3 of residue 20
P4474
P9898
Atom CB of residue 68
P12281
P8367
P6764
P160
P3726
P8378
P8168
Atom N of residue 63
P2794
P2215
P4899
P13474
P20
P7619
P1480
P1942
P6648
P1490
P8201
P2247
Atom N of residue 68
P3360
P2399
P5765
Atom CA of residue 18
P6560
Atom HG21 of residue 3
P6774
P5673
P11150
P8558
P7399
Atom N of residue 39
P3761
P6240
P3749
P7553
P4408
P3451
Atom HG3 of residue 37
P3216
P6070
P8159
Atom HB3 of residue 68
P7477
P8368
P6059
Atom HZ2 of residue 6
P5631
Atom HG of residue 20
P9899
P4565
Atom H of residue 62
P7471
GeneralizedGuinierPorodFunction 64
P7687
P7842
Atom NE2 of residue 40
P2141
P8135
P6462
P5643
P4149
P4347
Atom CD1 of residue 15
P2724
P2096
P1481
P6925
P6491
P6249
P2616
P9204
P5608
P4891
P7620
P5863
P6401
P6
P7626
Atom HB3 of residue 2
P2114
P1308
Atom CB of residue 48
P6036
P13475
P5902
P6913
P6171
CYS
P1491
P4605
P6649
P5674
P3086
P11
P12282
P3727
P2795
P2390
P4900
P8169
P8202
P3750
P6765
Atom CA of residue 39
Atom C of residue 18
Atom N of residue 43
P2216
P3365
P3452
P7478
P3217
P7554
P8559
P8363
Atom HA of residue 43
P5766
P3762
P6241
P1716
P4409
P7400
P6060
P2400
P6561
P6914
Atom HD2 of residue 37
P6775
P2248
HIS
P12
P8160
P7627
P5632
Atom H of residue 28
P9900
P11151
Atom HB2 of residue 39
P6071
P4566
P7472
P8328
P2617
P1492
P4892
P8381
Atom CA of residue 39
P4476
P6463
ListSingletonContainer418
P4150
P4348
P2725
P8136
P1470
P6926
P6492
P6250
P7688
P7843
P9205
P5609
P5864
P6402
GLN
P3361
P2097
P8364
Atom CG of residue 48
P5644
Atom HG22 of residue 5
P6172
P1941
P6037
P4606
Atom HD1 of residue 68
Atom CG of residue 68
P7621
P6766
LEU
P3087
P3728
P2796
P7
P4901
P2142
P12283
P5903
P8203
P1411
P8380
P8170
P2217
P13476
Atom O of residue 22
P4410
Atom H of residue 3
P5767
P2391
P6650
P3751
P3218
P11152
P6562
P6776
P2249
P2618
P8560
Atom HB3 of residue 43
P3763
P6242
P3453
P7479
P1471
P2401
P5437
P1493
P6072
P7401
P7555
Atom HD3 of residue 37
P1944
P5633
Atom HA of residue 28
P9901
P4567
P8161
P1717
P4893
ListSingletonContainer136
P6061
Atom C of residue 39
P6464
P5645
P4151
P4349
P7628
P2726
Atom CB of residue 36
P6493
P6916
P6251
P9206
P8137
P4477
P5610
Atom HD2 of residue 68
Atom ND1 of residue 68
Atom HB3 of residue 39
P1412
P7473
P6403
Atom N of residue 3
P6924
P5679
P8329
P7689
P7844
P5904
P5865
P1370
P6173
Atom CA of residue 49
P6038
P6651
P2098
P4607
P6767
P13477
P3362
P3088
P165
P3729
P8299
Covariance1DFunction 32
P4902
P1494
P7622
P8296
P12284
Atom CB of residue 18
PHE
P4411
P3454
THR
P8171
P2797
Atom HG13 of residue 17
P3219
Atom HB2 of residue 33
P2143
P8204
P8561
P6062
P2619
P6243
P3752
P4568
P1945
P2392
P8330
P5438
P7556
P11153
P6073
Atom CG1 of residue 36
P2402
P5768
Atom CG of residue 1
P186
P7402
P7480
P6563
P6777
P5634
P3764
P9902
P5680
Atom HH12 of residue 42
P1371
P6917
P2218
P1718
P4478
Atom CD2 of residue 68
P8297
P8162
Atom O of residue 39
P6465
P5646
P4152
P4350
P2250
P2727
Atom N of residue 32
P8383
Atom H of residue 43
P6494
P6252
P7690
P7845
P9207
P5611
P4894
P5866
P7474
P6404
P7629
Atom HZ1 of residue 48
P3363
P8138
P8300
P6039
P1495
P3089
Atom HA of residue 39
Atom CG2 of residue 7
P6174
P4608
P1306
P7623
Atom OD1 of residue 93
P3730
P6927
P1372
P4903
P2099
P5905
P6652
Atom C of residue 18
P6768
P5769
P8331
P3753
P4412
P6564
P2798
P6778
P3220
Atom HE1 of residue 68
P1405
Atom H of residue 31
P8382
Atom HB of residue 36
P8172
P13478
P8205
P4479
P8562
P3765
P6244
P3455
P7481
P4569
P8301
P5439
P2653
P2144
Atom CE1 of residue 68
UnaryFunction13
P6074
P2053
P0
Atom CG2 of residue 5
P162
P6915
P5635
P1496
P11154
ListSingletonContainer125
P12285
P2393
P7557
Model 297
P2403
P9903
P6466
Atom N of residue 9
P5647
P4153
P8163
P7630
P2728
P3364
P5681
P6495
P6253
Atom HB3 of residue 33
P9208
P5612
P4895
P5867
P6405
P4199
P2251
P2219
P6063
P1943
P6040
P1728
P3754
P7403
P6928
P2051
P7475
P6175
P4609
Atom C of residue 45
Atom HA of residue 31
P7691
P7846
P3731
P8366
P1368
P2799
P4351
P4904
P2100
P1337
P1406
P5906
P13479
MovedSingletonContainer4
P6769
P3090
P4413
P7624
P6653
P2654
P8139
P3221
P12286
Atom CB of residue 1
P2
P8332
Atom ND2 of residue 93
P8206
P4480
P8563
P8173
P5636
P6245
P1497
P1307
P3456
P4570
P6565
P6779
P5440
P2145
P11155
Atom CB of residue 36
P3766
P9904
P7558
P8367
Atom HD13 of residue 44
P7404
P7482
P6064
P2404
P6467
P6075
P1369
P6918
P5648
P4154
P5770
P7692
P2729
P7847
Atom HA of residue 18
P6496
P6254
P1946
P8164
P9209
P5613
P4896
P5868
P7476
P6406
P4200
P2252
P2220
ListSingletonContainer124
P8385
P5682
P2804
P4352
P1338
P1415
P7625
P6176
P2394
P7631
P8140
P4610
P6770
Atom N of residue 25
P6041
P1498
P3732
P2052
P4905
P3755
P2101
P5907
P6654
P12287
ListSingletonContainer419
P6929
Atom HE22 of residue 62
P3091
Atom N of residue 69
P4414
P3457
Atom HB2 of residue 18
P3366
P3222
P1440
P8207
P4481
P8564
Atom HB2 of residue 18
P7483
Atom CG of residue 6
P5637
P6246
P8384
P8174
P13480
P5441
P8302
P8364
P6566
P6780
P3767
P2620
P2146
P9905
P1418
P4571
P6919
Atom HD21 of residue 43
P7405
P6065
P5774
Atom CG1 of residue 36
P1725
P1499
P6468
P11156
P6076
P5649
P4155
P6042
P2730
P7559
Atom NE2 of residue 68
P166
P5683
P6497
P6255
P1947
P9210
P5614
P4897
P6407
P8165
P4201
P6930
P2807
P7693
P7848
P3756
P1441
P6177
P2221
P8141
P4611
P8303
P6771
P7632
P8365
P1
P5869
P7477
P4353
P4906
P3095
LEU
P7626
ASN
P5771
P2253
Covariance1DFunction 60
P5908
P2074
P4415
Atom OG1 of residue 12
P8334
P13481
P3223
P1335
Atom HB3 of residue 45
P2405
Atom HD3 of residue 72
P8208
P4482
Atom CD of residue 42
P8565
P1420
Atom HG23 of residue 55
P2395
P6655
P5638
P6247
P2102
P11157
P3733
P1442
P6567
P6920
P5442
P3367
P1320
P8175
P1958
P1500
P189
P7484
P3768
P2621
P9906
Atom H of residue 68
P3458
P4572
P6256
P5772
PairsRestraint 6
P2147
P7560
P6469
P5650
P4156
P2731
P7406
P8304
P6066
P6498
P7478
P6781
P8333
P9211
P5615
P4898
P6077
P6408
P4202
P2
P2406
P8166
P4354
P6043
P1729
P4612
P8387
P5684
P6772
P2803
P7694
P7849
P1413
P6931
P5870
P1960
P7633
P2222
P6656
P4907
P8142
P3757
P3097
Atom H of residue 1
Atom HD1 of residue 45
P2254
P1501
Atom N of residue 56
P4416
P7627
P7407
P3734
P8299
P3368
P3224
Atom CD2 of residue 67
P6178
Atom HG3 of residue 72
P8209
P4483
Atom CA of residue 69
P8566
P5909
Atom HE21 of residue 62
P6067
Atom HG of residue 67
P5639
P6248
P2103
Atom HA of residue 68
P3459
P4573
P6921
P5443
Atom HG13 of residue 3
Atom HG of residue 43
P8386
Atom CB of residue 61
P8176
P2396
P3769
P13482
P2622
P8143
P11158
P188
P1450
P6257
P5776
P7485
P6568
P6782
P6470
P1414
P6078
P5685
P5651
P4157
P4355
P2732
P1730
Atom CZ of residue 45
P6499
Atom HA of residue 11
P2148
P9212
P1502
P9907
P5616
P4899
Atom C of residue 69
P6409
P4203
P7561
P8305
Restraint 31
P0
P1961
P7695
P7850
P3758
Atom HA of residue 7
P2407
P7479
P8167
phys
P4613
P164
P6773
P6044
P3735
P8300
Atom HD12 of residue 67
P4908
Atom HA of residue 67
P7628
Atom N of residue 24
P6179
P7634
P1419
P5910
P6932
P5871
LEU
P2223
P3094
P4417
P3460
P7408
P1451
P5773
P6657
P3369
Restraint 70
P3225
P2255
P4484
P8567
P6068
P6569
P8336
P5640
P13483
P6249
P4574
P5444
P1503
Atom HB2 of residue 68
P7486
P3770
P2623
P8144
P8301
P8177
P2397
Atom O of residue 69
Atom HB2 of residue 20
P6783
P2104
P6471
P11159
P187
P5652
P4158
P2733
GaussianProcessInterpolation44
P6500
P6258
P9213
P9908
P7562
P5617
P4900
Atom HB2 of residue 67
P6922
P6410
P1948
P4204
P5686
P8335
P4356
P6045
P2149
P1512
P6079
P4614
P8168
bonded
P5872
P7480
P4909
P3759
P5912
P8389
P2408
P6180
Model 212
P7696
P3333
P7851
Atom HB2 of residue 72
P6774
Model 348
P7635
P2224
P4418
P7409
GLU
P1452
P3370
P3226
Atom HB2 of residue 46
P4485
Atom CB of residue 69
P8568
P7629
P6069
Atom HD2 of residue 33
SER
P6658
P5641
P6250
P3461
P3736
P6933
Atom CA of residue 56
P5445
Atom HG of residue 20
P2256
P6570
Atom HD13 of residue 67
P6923
P3771
P2625
P1560
P8145
P11160
P5911
Atom HG of residue 67
P6080
P8388
P8178
P5775
P13484
P2105
P6472
P190
P1456
P5653
P4159
Atom HE2 of residue 1
P4357
P2734
P7487
P4575
P6501
P6259
P6784
P2398
P9214
P1731
P5618
P4901
ListSingletonContainer420
P8307
P6411
P4205
P7697
P7852
P2150
P3760
P9909
P7481
LEU
P7563
P4615
P5687
P6775
P3334
P2624
P1561
Atom HB3 of residue 72
P1571
P7630
P8169
P4910
P6046
Atom HB3 of residue 46
P2225
Atom CA of residue 65
P4419
P7410
P3737
P1428
P1949
P7636
P6659
P3371
P8212
P3227
P6934
P8391
P2409
P5873
P6181
P4486
P8569
P8306
P1457
P6070
Covariance1DFunction 2
P6785
Atom HD3 of residue 33
P5642
P6251
P167
P5446
P7488
Atom OG1 of residue 14
P8338
P13485
P6925
P3772
P8146
P3462
P4579
Atom CG2 of residue 9
P8302
P6571
Atom HD21 of residue 67
P2257
P6473
P1431
P8179
P5654
P4358
P2735
Atom HB2 of residue 74
ListSingletonContainer127
Atom HB3 of residue 68
P6502
P6260
P9215
P9910
P5619
P4902
P11161
P6081
P6412
P4206
P6047
P5688
P4160
P2151
P3761
P7564
P2399
Atom N of residue 47
P2140
P2106
P4616
P1572
P6780
P5874
P8337
P7853
P3738
P4576
P4911
P8170
P8213
P168
P7482
P4420
P7631
P3157
P3372
P3228
P5913
P6935
P6182
P5777
P7637
Atom O of residue 65
P1510
P4487
P8570
P7411
P1432
P1448
P6786
P7698
P5643
P6252
Atom CG of residue 69
P3463
P5447
P8303
P1
P6071
P2226
P6660
P11162
P6572
P6926
P3773
Atom HG2 of residue 74
P8392
Atom H of residue 67
Atom HA of residue 61
Atom HD1 of residue 68
P7489
Atom CG of residue 108
P6776
P1950
P8147
P6474
P2410
Atom C of residue 44
P2736
P1
P8180
P6503
P6261
Atom HZ2 of residue 33
P13486
P9216
P5620
P4903
P6413
P4207
P2258
P2626
P4577
P7483
P5655
P4161
P3762
P6082
P8309
ListSingletonContainer570
P1511
P4617
P6048
P9911
P4912
P1733
P4193
P2107
P7565
P1573
P5689
P2400
P7699
P7854
Atom C of residue 126
P8571
P5875
P8171
P6661
P2152
P4421
P7412
P3739
P3158
P3373
P3229
ListSingletonContainer126
P1449
P6183
P5778
Atom CB of residue 65
P4488
Atom HD2 of residue 68
P7632
P1415
P6072
P6787
Atom HA of residue 24
P4359
P7638
P6253
P3464
P5914
P6936
Atom HB of residue 61
P5448
Atom H of residue 22
P8308
P2227
P3
P5644
P3774
P8148
P1951
P8340
P13487
P4199
P6924
GaussianProcessInterpolationRestraint 12
Atom HG3 of residue 74
P6475
P11163
P4162
Atom HA of residue 65
P2737
P9912
Atom CD1 of residue 69
P7490
Atom CD1 of residue 108
P8304
P6573
P6504
P6262
P9217
P5621
P4904
P6083
P5690
P6777
P2411
P8181
P6414
P4208
P2627
P193
P1575
P4578
P5656
P1734
P4194
P3763
Atom O of residue 29
P4618
ListSingletonContainer421
P6937
P2
P1419
P2401
P2259
P1429
P7855
Atom O of residue 126
P7566
P3740
P7484
Atom HB2 of residue 24
P4913
Atom C of residue 43
P8339
P6049
P7700
Atom C of residue 65
P8572
Atom HE1 of residue 68
P4360
P2153
P4422
P3465
P7633
P7413
P5915
Atom HB2 of residue 34
P8172
P3159
P3230
P5876
P6184
P2
P5779
P2108
P4489
Atom HD21 of residue 15
P8390
P6073
P6788
P6662
P5645
P6254
P3
P7639
P5449
P3374
P4200
P1577
ListSingletonContainer571
P1416
P6574
P1435
Atom HD3 of residue 74
Atom HB2 of residue 65
P3775
P8149
P8305
Atom CA of residue 126
P7491
P6778
P6476
P4163
P2738
P6505
P6263
P2228
P9218
P5622
P4905
P11164
P6927
P6415
P4209
P2628
P8182
P5657
P1726
P9913
P5916
P4109
P4619
P6938
P5691
P2412
P4361
P6050
Atom CB of residue 29
P6084
P3741
P8311
P1952
P4914
P3764
Atom N of residue 14
Model 391
P1436
1G6J_MODEL1.pdb
P1337
P5877
P7485
P2402
P2260
P7567
P4423
P7414
Atom CB of residue 8
P7701
P3160
P7856
P3375
Atom O of residue 124
P3231
P1417
P6185
P8173
P4490
Atom CD2 of residue 69
P8573
P6074
P5646
P3776
P1307
P6255
P4580
P5450
P4201
P7634
P6789
P7640
P2232
P6663
P2154
Atom CG of residue 38
P170
P6779
Atom OG of residue 65
P8150
P2109
P8310
P1340
P6575
P6477
P11165
P6928
P5658
P4164
P8342
Atom H of residue 8
P6085
P6506
P6264
P9219
P5623
P4906
P5
P6416
P5780
P4210
P7702
P2629
P3466
P7492
P8306
P2739
P1353
P1727
Atom CE of residue 97
Atom H of residue 69
THR
P5917
P8183
Atom HA of residue 34
P7857
P4110
Atom CB of residue 124
P4620
P192
P6939
Model 222
P9914
P0
Atom N of residue 17
P3746
Atom HG2 of residue 18
P2413
P7486
Atom HA of residue 31
P4362
P4915
P3765
P5692
P1418
P1417
PairPredicate 11
P7568
P7635
P6256
P8341
P6051
P3161
P3232
P1574
P6186
Atom HD2 of residue 74
P4491
P8574
P6790
P2403
P8174
P2261
P6664
P5647
P3777
P4424
P4581
P5878
P5781
P5451
P3376
P4202
P7415
P1953
P2233
Atom CA of residue 69
P7641
P1354
P7493
P6075
Atom NE2 of residue 31
P2155
ScoreState 12
Atom H of residue 65
P2110
P6478
P3467
ListSingletonContainer422
P3742
P8307
Atom O of residue 1
P5659
P4165
Atom HB of residue 22
Atom HB2 of residue 69
P6507
P6265
P9220
Atom NZ of residue 97
P8151
Atom CG1 of residue 124
P5624
P4907
Restraint 111
P6417
P4211
P7703
P2630
Atom NH1 of residue 74
P191
VAL
P4363
Atom NZ of residue 33
P2740
P9915
P11166
P6086
P5918
P6929
P6052
P4111
P4621
P6940
P5693
P8184
P4916
P3766
P6576
P5879
P7858
P8313
P6257
P4425
P6781
Atom CB of residue 28
P2414
P1418
P3163
P3377
P3233
Atom HE21 of residue 31
P169
P1420
Atom C of residue 8
P7487
P6187
P4492
P7569
P8575
P7636
P6791
P2404
P5648
P4582
P6511
P5782
P8175
P5452
P4203
P7416
Atom N of residue 32
P2262
P3778
Atom HG22 of residue 22
P2048
LEU
P1442
P6076
P1954
P7642
P6665
P11167
Atom O of residue 4
P6930
Model 71
P2111
P6479
P3468
P8312
P4166
P2234
Atom HE2 of residue 33
P2741
P3162
Atom HD2 of residue 72
P7494
P6508
P6266
P9221
P8152
P5625
P4908
P6577
P6418
P8344
P4212
P7704
P2631
P2156
P194
P3743
P5660
P4364
P5919
ListSingletonContainer377
Atom N of residue 2
P2
P4112
P4622
Atom N of residue 12
P8308
Atom H of residue 28
P7488
Atom HB3 of residue 69
P6087
P8185
P1419
P4917
P3767
P6941
P1421
P6053
P9916
P4655
P4426
P5694
P6782
Atom H of residue 33
P7859
Atom NH1 of residue 72
P7570
P3234
P5880
P6188
P4493
P8576
P6792
P8343
P5649
P6258
Atom HE22 of residue 31
P4583
Atom HG23 of residue 26
P2415
P6512
P5783
P13560
P5453
P3378
Atom OG1 of residue 9
P4204
P7637
Atom C of residue 47
P8176
P3469
P1
P2235
P3779
P2049
P7417
Atom O of residue 10
P1
P1444
P1761
P7643
P6666
Atom HG23 of residue 22
P6480
P3744
P6077
P4167
P1955
P4365
P2742
P1422
P6509
P6267
P9222
P2112
P5626
P4909
P8309
P6931
P6419
P4213
P2263
P7705
P2632
P9917
Atom HG of residue 69
P7495
P6578
Atom NZ of residue 29
P5661
P1420
P8153
Atom C of residue 69
P6088
P5920
P5695
P2157
P4113
P4623
P1
P79
P6942
P2405
P6783
P4918
Atom NH2 of residue 72
P3768
P4656
P8186
P7860
P11168
PairsRestraint 12
P7489
P3470
Atom N of residue 13
P6054
P13561
Atom N of residue 23
P3235
P2039
P8315
P6189
P4494
P8577
P7638
ARG
P1426
P5650
P6259
P4427
P4584
P1423
P5881
P6513
P5784
P3164
P5454
P3379
Multivariate Normal distribution 12
P4205
P7571
P7418
Atom N of residue 27
P8177
P3780
Atom HD11 of residue 69
Atom CB of residue 11
P6078
P2416
P6793
Atom O of residue 47
P1768
GeneralizedGuinierPorodFunction 65
Atom CD of residue 33
P6667
P6481
P4168
P1956
P2406
P4366
P7644
P2743
P7496
P3745
P6510
P6268
P9223
P8154
P5627
P4910
P8314
P6420
P1427
P2633
Model 114
P6579
P5662
P2113
P11169
Atom O of residue 69
P5921
Atom HD3 of residue 74
P6932
P8346
P7706
P2158
P4114
P4624
P6943
Atom HE2 of residue 29
P4214
P2264
P9918
ILE
P80
Atom CA of residue 54
P6784
P4919
P3769
P4657
P8310
P5696
P6055
P6089
P8187
Atom H of residue 72
ListSingletonContainer128
P1424
P3236
P2040
P1312
P5882
P7490
P6190
P8578
P5651
P3781
P7861
P6260
P7572
P4428
P3471
P4585
P6514
P5455
P3380
P4206
P8345
P1428
P4495
Atom H of residue 29
P5785
P3165
P13562
Atom N of residue 12
Atom HB3 of residue 42
P7639
Atom CD of residue 16
P6794
P8178
P6668
Atom HE of residue 74
Atom H of residue 43
P2407
Atom H of residue 32
SER
P6482
P7419
P1425
P2417
P4169
Atom H of residue 47
P2744
Atom CA of residue 15
P6511
P6269
P7645
Atom CE of residue 33
P9224
P5628
P4911
P195
Atom HA of residue 60
P6079
P6421
P1957
P7707
P2634
P6090
P5663
P4367
P3770
P11170
P5922
P8311
P4115
P4625
P6944
P6580
P4215
P2265
P8155
P2114
Atom CB of residue 69
P6785
P4
P4920
P7862
P2159
P4658
P3747
P9919
P1433
P6933
P7491
P1379
P2149
ListSingletonContainer378
P5697
P8188
P3381
P3237
P2055
Atom HE22 of residue 62
P7640
P6191
Atom HA of residue 72
Atom HD12 of residue 69
P8579
P7497
Atom HD13 of residue 8
P6056
P5652
P13563
P6261
P4429
P3472
P4586
P8317
P5786
P5456
P4207
Atom C of residue 15
P1424
Atom HB3 of residue 32
P4496
Atom C of residue 54
ListSingletonContainer573
P6080
P5883
P6515
P3166
P7573
P6669
Atom HB3 of residue 60
P1440
P8179
P6483
P196
P6581
P4170
P6795
P4368
P2745
P7420
P1788
P6512
P6270
P9225
P5629
P4912
P7498
P6422
P2408
P7646
P7708
P2635
P2418
P5664
P8316
Atom C of residue 33
P4116
P4626
P4216
P3782
P9920
P11171
P6091
P6786
Model 174
P6934
P8348
P2266
P6057
P4921
P2160
P8156
P3771
P2056
Atom CA of residue 63
P4659
Atom CA of residue 61
P5923
P5698
Atom HD22 of residue 43
P2115
P81
P1962
Atom CA of residue 33
P3473
P6945
P8312
P5884
P1425
P7863
Atom CG1 of residue 23
P3238
P3748
P1441
P8189
P6192
P8580
Atom CB of residue 84
P1346
P5653
Atom C of residue 30
P6262
P4430
P4587
P7492
P6516
P5787
P5457
P4208
Atom HD13 of residue 69
P7641
P4497
P7574
Atom O of residue 54
P3167
P8318
Atom CB of residue 8
P6796
P8347
P11172
Atom HA of residue 43
P13564
P6484
P6081
P4171
P8180
P4369
P6670
P2746
Atom HD21 of residue 60
P1767
P6513
P6271
P9226
P5630
P4913
P1
P7421
P7500
P6423
P4217
P2636
LYS
P6582
P5665
P7647
P3382
P4117
P4627
Atom CG of residue 69
Atom HG3 of residue 27
P2409
P1
Atom N of residue 2
Atom HB3 of residue 62
P8313
P6787
P2419
P6935
Atom HA3 of residue 75
P4922
P3772
Atom NE2 of residue 49
P5924
P3749
P7493
P8157
P2116
P6092
P3474
Atom HG21 of residue 9
P6946
P6058
P9921
P3239
P4660
P1429
P6193
Atom HH22 of residue 72
P3783
P8581
P5699
P8190
P5654
P7864
P6263
P2043
ListSingletonContainer129
P4588
P5885
P6517
P5788
P7712
P6671
P5458
P4209
Atom CG of residue 84
P4431
P2267
P13565
P2161
P4498
Multivariate Normal distribution 42
P8320
Model 17
Atom HB3 of residue 63
P3168
P7642
Atom CG2 of residue 23
P11173
P7575
P6485
P4172
P2747
Atom O of residue 30
P3383
P1430
Atom HG22 of residue 5
P6272
P8181
P9227
P5631
P4914
Atom CD1 of residue 69
P7501
P6082
P6424
P6797
P2637
P7422
P2117
P5666
P4370
P5925
P6514
P1959
P7648
P4118
P9922
P4628
ListSingletonContainer130
P82
P6583
P4218
P6093
P8319
P5700
P6788
P2420
P7709
P4923
P3773
P4661
P3750
Atom HD2 of residue 27
P3784
Atom CB of residue 23
P2117
Atom HD22 of residue 69
Atom HG2 of residue 62
Atom HG2 of residue 74
P6936
P8350
P8158
P7865
P3240
Atom HG12 of residue 3
P7494
P6194
P4499
P8582
P6947
P8314
P6059
Atom N of residue 76
P6264
P2044
P3475
P1762
P4589
P8191
P6518
P2410
P4210
P7643
Atom C of residue 8
P5886
P6798
P5655
P3169
Restraint 174
P1666
P197
P1351
P2268
P6672
P7576
P11174
P4432
P5789
Atom H of residue 49
P6486
Atom HA of residue 69
P0
P6083
P4173
P8349
P2748
P2162
P6937
P6273
P7710
P13566
P5459
P9228
P5632
P4915
P6425
P1454
P8182
P4219
P2638
Atom O of residue 59
P3384
P6584
P5667
P4371
Atom O of residue 73
Atom CD2 of residue 69
P7423
P7499
P6515
P4119
P4629
P7649
Model 255
Chain A
P6789
Atom HD2 of residue 63
P4924
P3774
P4662
P9923
ListSingletonContainer379
P8315
P3785
Atom C of residue 23
P3476
P6948
P5701
P2421
P6060
P7711
P6913
P8159
P3241
P6094
P5926
P3751
P6195
Atom O of residue 43
P4500
P8583
Atom O of residue 11
Atom HZ2 of residue 11
P6265
P1667
Atom HA of residue 49
P2045
P1763
P4590
P6
VAL
P1686
P5887
P7495
P4211
P2118
P4433
P8192
P1455
Atom CA of residue 76
P7866
Atom CZ of residue 4
Atom HH22 of residue 54
Atom HG3 of residue 63
P2411
P5656
P3170
Atom CE1 of residue 59
P8321
P2269
P13567
P5460
P11175
P6426
P6519
P5790
P6487
P7644
P4174
P6799
P4372
P6673
P2749
P6914
P83
P6516
P6938
P6274
Atom NH2 of residue 14
Atom CB of residue 73
P9229
P7577
P5633
P4916
P2639
P2163
Atom HG21 of residue 12
P5668
P8183
P3775
P7502
P6084
P3385
P4120
P4630
P6095
P7424
P1627
P1687
P3786
Atom H of residue 69
P6790
Atom HB2 of residue 63
P7650
P4925
P3246
P200
P8322
P6585
P1458
P4220
P7867
P3477
Atom CA of residue 73
P9924
P4663
P5927
P3752
P7496
P6196
P8352
Atom O of residue 23
P8160
P4501
P8584
P5702
P6266
P2046
P7645
P1764
P4591
P2422
P4212
P2119
Atom HG3 of residue 33
P6949
P8316
Atom N of residue 75
P6061
P3787
Atom N of residue 55
Atom NZ of residue 29
P2
Atom HB3 of residue 40
Atom CA of residue 125
P5657
P3171
P3386
Atom C of residue 63
P1691
P6674
P5461
P6085
P5888
P6427
P6520
Atom HA2 of residue 75
Atom HD2 of residue 59
P6488
LYS
P4175
P2412
P4373
P2750
P7578
P11176
P6517
P6939
P6275
P1448
P5791
P9230
P1656
P5634
P4917
P7503
P6586
Atom CA of residue 14
P6800
P8351
P2640
P4434
Atom HG2 of residue 27
P5669
P2270
P13568
P8184
P2164
P4121
P4631
P7713
Atom HD22 of residue 69
P7425
P6791
ListSingletonContainer572
P1693
P4926
JeffreysRestraint_P0
P6916
P3776
P3332
P5928
P3753
P7651
P9925
P6096
P6062
Atom CE2 of residue 59
P5703
P3387
P4664
Atom HH12 of residue 54
P8317
P1628
P6197
P4502
P8585
P5889
Atom HA of residue 13
Atom C of residue 73
P5658
P3788
P1
P7868
P6267
ILE
P8161
P3478
Atom HA of residue 29
P1765
P4592
Atom HE2 of residue 29
P4213
P4221
P6950
P3172
Atom HD2 of residue 42
P7646
Atom H of residue 4
P2423
P2120
P11177
P2164
P7
P6428
Atom HG2 of residue 40
P5792
Atom CB of residue 59
P6489
P4435
Atom HG3 of residue 27
Atom CA of residue 75
P4176
P6801
P2751
P13569
P1334
Atom HA of residue 69
P2546
P6518
P6940
P6276
P6521
P1449
P2413
P5462
P9231
P1657
P5635
P4918
Atom O of residue 5
P6086
P6675
P2641
P7497
P5670
P4374
P2271
P6917
P3777
P7579
P5929
P4122
P4632
P6587
P8185
Atom O of residue 125
Atom O of residue 45
P7504
P6792
P4927
P2165
P7426
P84
P3754
P8
P0
P4870
P7652
P7714
P3245
P198
P3479
P3388
P4665
Atom HH21 of residue 54
P6097
P6198
P4222
P4503
P8586
P1624
P7498
P5659
P3789
P6268
P9926
Atom HB2 of residue 29
P1766
P4593
P1456
P8354
P8162
P5704
P7869
P4436
Atom CB of residue 2
P5890
P6676
P3173
Atom HE3 of residue 33
Atom HB2 of residue 69
P6951
P2615
P8318
Atom CA of residue 26
P4214
P5636
P11178
P6429
P6522
P6490
P7647
P4177
P4375
P6063
P2752
Atom O of residue 2
P7505
P2424
P6519
P6277
Atom HG3 of residue 40
P5463
P9232
P1493
P4919
P2050
P6915
P2642
P7580
P6941
P5671
P3
P1460
P5793
P3778
P2121
P5930
Atom HG3 of residue 2
P6087
P6802
P2414
P8353
Atom CA of residue 21
P1658
P4123
ListSingletonContainer380
P4871
P13570
P6793
Atom C of residue 75
P1688
P8186
P2272
P4928
P9927
P6588
P4223
Atom CB of residue 45
THR
P4633
Atom CA of residue 63
P6098
P7427
P5705
P7715
P2166
P3480
P7653
P0
P3389
P4666
P3755
P6199
Atom C of residue 26
Atom CB of residue 29
P4504
P1402
P8587
Atom CG1 of residue 3
P7500
P7870
P6269
P1770
P4594
P8319
P4215
P1494
Atom HZ1 of residue 33
VAL
P6064
P8163
P1625
P1461
P5660
P3790
P3174
P4437
P7648
P2616
P5794
P5637
P1494
P6952
P5891
P6430
P6803
P6491
Atom HB3 of residue 69
P5677
P4178
P6677
P2753
ListSingletonContainer131
MovedSingletonContainer1
P6520
P6942
P6278
P5464
P9233
P4920
Atom HD21 of residue 15
P6088
P4224
P13571
JeffreysRestraint_P0
P2643
P0
P6523
P4376
P7506
P5931
P2425
P1326
P4125
P4634
P6589
P4
P7716
P6918
P2122
P7581
P6794
P4929
P2986
P1495
P3756
Atom O of residue 75
P2415
P8187
P1659
P2167
P11182
P7428
P1771
P2273
Atom CG of residue 45
P4853
P3779
P9928
P1404
P2052
P4667
Atom HB2 of residue 2
Atom CG of residue 4
P6200
P7654
P4505
P8588
P199
P5706
P7501
Atom HD13 of residue 61
P3791
P6270
P4438
P3481
P6099
Atom CG of residue 29
P3390
Atom N of residue 35
P4124
P4216
P6065
P8197
P1689
P5892
P1452
P8356
P5661
P3175
P8164
P5678
P6524
P7871
P5638
P6431
P6492
P85
Atom CA of residue 26
P6953
P2580
P8320
Atom HE of residue 74
P4179
P2754
P1489
P5
P1438
P6521
P6943
P6279
P5795
P5465
P9234
Atom HH11 of residue 42
P4921
P7649
P6804
P4225
P6678
P2644
P11179
Atom C of residue 7
P4377
Atom HG of residue 71
P6919
Atom HZ2 of residue 33
P1496
P5932
Atom CE of residue 1
P1634
P7582
P2123
P7507
P1772
P8245
P6795
P6089
P2426
P1
P8355
P7717
P4930
P2988
P3783
P6100
P13572
P4635
Atom N of residue 62
P8188
P8198
P3482
P6590
P3391
P4668
P7429
P3757
Atom HG3 of residue 24
P6201
P2416
P4854
P2168
P4506
Atom HD13 of residue 3
P8589
Atom C of residue 5
P7655
P3792
P6271
P9929
P4439
Atom CB of residue 7
P2274
P1660
P1383
Atom HG of residue 69
P7499
P1453
P6493
P7650
P86
P8321
P5662
P3176
P3780
P11180
P6066
Atom HH22 of residue 42
P8165
P4217
P5639
P1690
P6432
P7872
P2581
P4180
P4378
Model 349
Atom O of residue 69
Atom HD13 of residue 71
P6679
P2755
P6920
P1490
P6954
P6090
P6522
P5893
P6944
P6280
P6525
P5466
P9235
P4922
P5675
P2645
P8246
Atom HZ3 of residue 6
P5796
P3
P201
P7508
P5933
Atom CB of residue 1
P6591
P6805
P13573
P4636
P2012
P4226
Atom HZ3 of residue 33
P11181
P6796
P7718
P4931
P1384
P1485
P1536
P4126
P7583
Atom HG23 of residue 17
P6067
P4440
P3483
P1779
P2427
P8189
P3392
P3017
P9930
Atom HD11 of residue 69
P4669
P6101
P3758
P6202
GLN
P2124
P4507
P8590
PairsRestraint 3
P7430
P1694
P6272
P3781
ListSingletonContainer134
Atom N of residue 25
P2417
P7656
P2169
P4218
P5707
Atom O of residue 70
P5894
P7502
P4855
P4
P6494
Atom HD21 of residue 71
P5663
P3793
P3177
P1498
P2275
P5640
Atom HZ2 of residue 33
P8194
Atom CA of residue 16
Atom HA2 of residue 10
P5676
P6433
P7873
P1661
P8166
P7651
P4181
P4379
P2756
P6921
P1385
P87
P1629
P6523
P6281
P5797
P5467
P9236
P4923
P6955
P8322
P6806
Atom C of residue 85
Atom CB of residue 69
P2646
Atom N of residue 34
P2582
P6526
P8358
P5934
P6091
P6680
P4637
P4
P6945
P4227
P2174
P2987
P6797
P7719
P5060
Atom N of residue 43
P7584
Atom HD12 of residue 69
P3759
P6592
Atom CA of residue 55
Atom CB of residue 57
ILE
P7509
P1332
Atom HG1 of residue 55
P2
P6068
P1548
P1502
P2013
P1486
P4441
P1699
P13574
P4127
P4670
P6203
P8190
P8591
P7503
P6273
P3782
P1386
P3484
P6102
P7431
P2428
P3073
P3393
P4219
P2125
P4856
P4508
P9931
P6495
Atom CA of residue 6
Atom CB of residue 70
P5664
P3794
P3178
P5708
P2418
P7874
P1662
P5641
Atom HZ3 of residue 33
P8195
P8323
Atom O of residue 85
P1339
P6681
phys
P4182
P4380
P2276
P2757
P8167
P1630
P6524
THR
P6282
P6527
P5468
P9237
P1551
P4924
P11183
P7652
P6434
P7657
P2647
P1503
P7510
P6956
P2583
P2176
P5935
Atom CA of residue 69
P4638
P5895
P6946
P5798
P4228
P1387
P5709
P6798
P6092
P6807
P4
P7720
P5062
P13575
P3760
P6922
P6069
LEU
P9932
P2014
Atom HD13 of residue 69
P1487
P3485
P6593
P4128
P7585
P4671
P6103
P6204
GLU
P8592
P8191
P3795
P6274
P4442
P3074
P3394
P2126
P8213
P7432
Atom HA of residue 57
P4857
P2179
P4509
P6496
ListSingletonContainer132
P8247
P5710
Atom C of residue 11
Atom HG13 of residue 26
P2429
P7658
P5665
P3179
P1782
P7504
Atom HG12 of residue 61
P8361
P7875
P3018
P1663
P5642
P6435
P2
P1388
P7653
P1692
P4183
P5799
P2758
Atom N of residue 70
P6525
P5896
P6283
P6808
P2419
Atom C of residue 69
P5469
P9238
P1553
P8168
P4925
P4229
P6682
P6923
P2648
Atom HB of residue 17
P2584
Atom HD1 of residue 68
P4381
P5936
P171
P6957
P8324
P6093
Atom H of residue 55
P2462
P4639
P11184
P6528
P7511
P6799
P2277
P5063
P3784
P4220
P2
P3761
P6594
P6947
P1496
Atom O of residue 55
P6070
P7721
P7586
P1488
P4443
Atom C of residue 70
Atom HB2 of residue 57
P8362
P4129
P8215
P4672
P1780
P5711
P7505
P6205
Atom C of residue 43
P4510
P1389
P8593
Atom HD21 of residue 69
Atom HG21 of residue 26
Atom HG3 of residue 19
P13576
P6275
P9933
P3486
P8192
Linear1DFunction 8
P2173
P3395
P2015
P8244
P4858
P1668
P6497
P6104
P7433
P3060
P7659
P5666
P3796
P3180
Atom CA of residue 34
P5
P5643
P6436
P2430
P6529
P2759
P7876
P1773
P8325
P6526
P5897
P6284
P2420
P5470
P9239
P1497
P4926
P465
P4230
P6925
P2649
P8169
P2127
PRO
P2585
Atom HH21 of residue 54
P4184
P5800
P4382
P2485
P4221
GeneralizedGuinierPorodFunction 26
P7654
Atom OG of residue 57
P6809
P8357
Atom CB of residue 6
P6683
P1390
P4640
P11185
Atom HA of residue 14
P6958
Atom HE1 of residue 68
P6948
Atom CD2 of residue 69
P1537
P6
Atom N of residue 14
P6800
P7722
P3785
P4673
P5937
P172
P4101
P7512
P6094
Atom HA of residue 7
Atom HD2 of residue 19
P5061
P13577
P4444
P6105
P2278
P3396
P2989
P4130
P3762
P6206
P6071
P8594
P6595
P6276
Atom O of residue 43
P7587
P3487
Atom N of residue 7
P7877
P2016
P5712
P7506
P4859
P4511
P9934
P6498
P1489
P3061
P5667
P3797
P8199
P3
P7434
Atom HG12 of residue 3
P3
P4222
P1391
P7655
P6437
P7660
Atom OE1 of residue 34
Atom HG1 of residue 14
Atom C of residue 69
Atom HD21 of residue 69
Atom CA of residue 50
P4185
P2760
P3181
P1774
P6527
P6285
P5471
P9240
P5644
P4927
P11186
P466
P4231
P6684
P6926
P2650
P1538
THR
P2586
P6095
P5898
P6530
P4803
P4383
P1677
P8170
P3786
P5938
P2421
P4641
Atom HB2 of residue 69
P7513
P6959
P8326
P6801
P2431
P6596
Atom H of residue 57
P6810
P7723
P2128
P3763
P2486
P7661
P6072
P3488
ListSingletonContainer423
Atom HD21 of residue 73
P6949
P2990
P4131
P1392
P4674
Atom N of residue 13
P6207
P4512
P7588
P8595
P202
Atom CD of residue 11
P1347
P5801
P3798
P6277
P9935
P8200
P4445
P6106
Atom O of residue 8
P0
P2279
P5066
P3397
P5899
Atom HH22 of residue 54
P4860
P13578
P6499
P1490
Atom CA of residue 5
P4104
P3062
P5668
P3182
P2017
P5713
Atom O of residue 69
P7507
P7878
P5645
P7435
P6438
Atom HG23 of residue 66
P4804
P2761
P1775
Atom OE1 of residue 31
P6286
P5472
P9241
P4928
P7656
P1348
P473
P4232
Atom CG of residue 69
P2651
P11187
P4186
LYS
P4384
Atom N of residue 34
P1393
P6528
P6950
P6811
P6924
P8171
P4223
P4642
P6531
P2463
P2587
P6802
P6096
P5802
P7724
P6685
P3787
P6
P5939
P6960
P8505
P2422
P7662
Atom O of residue 79
P1665
Atom CB of residue 34
Atom NH2 of residue 74
P173
P6073
P2129
P4446
P3489
P2432
P6597
P4132
P4099
P7514
P3764
P6208
P13579
P4513
P8596
Atom HD23 of residue 69
P6278
P1
P5067
P3398
P5714
P5900
P7508
Atom N of residue 55
P4861
P7589
P6500
P6107
P3063
P4805
P5669
P3799
P2991
P1394
P2280
P9936
P5646
P1341
P6439
Atom O of residue 67
Atom CD of residue 18
P2018
P4120
P7436
P4187
P2762
P3183
P7879
P4675
P1776
Atom HA2 of residue 10
P6287
P6686
P5473
P9242
P4224
P4929
P1491
Atom HD2 of residue 38
P4233
P11188
P2588
Atom NE2 of residue 31
P6532
P4385
GLU
Atom CG2 of residue 3
P6529
P4643
ListSingletonContainer133
Atom H of residue 74
P7515
P8172
Atom N of residue 70
P2675
P3788
P5940
Atom HG3 of residue 49
P475
P6951
P5803
P2464
P7663
P5064
P0
P6927
P7
P6961
P6097
P6812
P6074
Atom CB of residue 79
P0
P4447
P6803
Atom CB of residue 67
P4133
Atom CG of residue 34
P4100
P7657
P3765
P6209
P2423
Atom CA of residue 55
P7725
P2130
P9937
P8597
P6598
P6279
Atom HB of residue 3
P6108
P2433
Model 223
P3399
P1621
P7590
P3490
P5901
P4862
P4225
P6501
P3064
P5670
P3800
P3184
P1395
P4676
P8506
P13580
P7880
Atom CB of residue 43
P5647
P1492
Model 298
Atom HD11 of residue 73
P6440
P2992
P5715
P7509
P4188
P4821
P2763
Atom C of residue 34
P7437
P1777
Atom CB of residue 38
P6530
P6288
P2281
P5474
P9243
P2019
P4930
P4234
P11189
P6813
P4386
Atom HH21 of residue 54
P2676
Atom HD3 of residue 38
P6687
P4514
P4644
P7658
Model 32
P5065
P6928
P2589
P6098
P467
P8173
P3789
P5941
P6533
P5804
P7664
VAL
P7516
Atom CG of residue 43
Atom CE of residue 63
P4448
P1377
P6962
P6599
P6952
P2465
P4134
Atom C of residue 34
P3766
P6210
P7726
P2131
P8598
Atom CA of residue 2
Atom CD2 of residue 67
P6280
P1396
P8507
P5716
P7510
P6075
P13581
P3400
P1
Atom HA of residue 74
P3491
P5902
P2424
P4863
P4226
P9938
Covariance1DFunction 78
P6502
P4101
P3065
Atom CG2 of residue 13
P5671
P3801
P3185
P4677
P1778
Atom CD2 of residue 59
P2434
P0
Atom N of residue 3
P7591
P5648
P6109
Atom C of residue 18
P6441
P4822
P4984
P2993
P6804
P4189
P2764
Atom CG of residue 38
P6531
P6289
P5475
P9244
P4515
P2020
P4931
P7438
Restraint 32
P6534
P7881
P11190
P2590
P4387
P2282
P2655
P4645
Atom CA of residue 70
P1504
P1378
P4235
Atom CD2 of residue 43
Atom HH11 of residue 74
P1397
P7659
Atom N of residue 39
P6814
P6688
P3790
P5942
P6953
P8174
P468
Atom HA of residue 20
Atom NZ of residue 63
ListSingletonContainer138
P4449
P3492
ListSingletonContainer424
P5805
P2466
P7665
P6929
P3401
P4135
P7517
P3767
P6963
P6099
P6211
P8599
P6110
Atom N of residue 67
P5677
P3802
P6281
P1617
P4678
P1783
P6076
P7727
P2132
Atom HB3 of residue 73
P6600
P4864
P4227
Atom O of residue 34
P4102
P1
P6805
P3066
P3186
P7882
P7592
Atom HB2 of residue 74
P5717
P5903
P7511
P9939
P5649
P1379
Atom CB of residue 5
P6442
P2425
P4836
Atom HA of residue 4
P1398
P6503
P8508
Atom HA3 of residue 53
P2435
P4190
P4388
P2765
P13582
P6532
P6290
P5476
P9245
P4516
Restraint 71
P2021
P5060
P175
P4985
P7439
P2591
P2656
P3791
Atom CB of residue 24
Atom CD of residue 38
Atom HG21 of residue 66
P5806
P6689
P4646
P11191
P2062
P6100
P6535
P4236
Atom H of residue 43
P7660
Atom H of residue 14
P2283
P2994
P5943
P3768
P7666
P6930
Atom HH12 of residue 74
P7518
P6601
P6815
P8175
Restraint 97
P4450
P2467
P1
P5678
P4136
P5
P4679
P6806
P469
P6212
Atom HD23 of residue 56
P7728
P1618
P8600
P1787
P6964
P6954
P3803
P6282
Atom CD of residue 74
P3402
P5904
Atom CG of residue 16
Atom HB of residue 9
P4865
P4228
P9940
GaussianProcessInterpolationRestraint 30
P1399
P6111
P8509
Atom CE2 of residue 59
P3067
P6077
P3187
P13583
P2133
Atom HG of residue 73
P4517
P5650
Atom CA of residue 4
P6443
Atom CG2 of residue 70
P6504
Atom HE2 of residue 63
ListSingletonContainer426
P5718
Chain A
P7512
P2766
P7883
P7593
Atom C of residue 70
P6533
P6291
Atom HG23 of residue 14
P2426
P4806
P4938
P5477
P9246
P5062
P2064
Atom N of residue 54
P11192
P1495
P3493
P2593
P2436
P4197
Atom N of residue 57
P4389
P7440
P5944
Atom CG1 of residue 44
P4647
P2995
P6816
P4237
P3792
P6536
P5807
P7667
P6931
Atom HD22 of residue 43
P1407
P2024
Atom HG21 of residue 7
ListSingletonContainer137
P7661
Atom CA of residue 51
P6101
P6690
Atom H of residue 63
P4451
Atom HG2 of residue 18
Atom CZ of residue 59
P2284
Atom HH21 of residue 74
P4137
P8176
P4680
P3769
P6213
P2139
P8601
Atom O of residue 2
P2592
P6602
P3804
P6283
P7519
P6965
P6807
P470
P6955
P6078
P3403
P1619
Atom O of residue 70
P5905
Atom H of residue 70
P5675
P4866
P4229
P4518
P1781
P3068
P2468
P3188
P5719
Atom HA of residue 16
P7513
Atom CD1 of residue 13
P9247
P1440
P5651
P6112
P6444
Atom HA of residue 43
PRO
P7594
P6509
Atom C of residue 7
P3494
P4390
P2767
P9941
P9
P6534
P6292
P4807
P4939
P5478
P5063
P8510
P13584
P7884
P11193
P7662
P4198
P7729
P6691
P3793
Atom HA of residue 22
Atom HG3 of residue 18
ARG
P2427
P4648
P7441
Atom C of residue 51
P6537
P2996
P174
P2437
P4238
P1441
P2061
Atom HG3 of residue 19
P7520
P5945
P7668
Atom HD12 of residue 71
P10
P5808
P2285
P6932
P4138
P2023
Atom HG22 of residue 7
P4681
Atom HA of residue 9
P3770
P6102
P6214
P6817
P1316
Atom H of residue 13
P5676
P8177
P4519
P8602
P7730
P3805
P6284
P4452
P1327
P3404
P9942
P6966
P6603
P5906
P6956
P4867
P6113
P6808
P471
P3069
P2469
P3189
P1443
Atom CB of residue 70
Atom CB of residue 2
P9248
Atom HB3 of residue 74
P5652
P8511
P6445
P4193
P6079
P13585
P4230
P1624
P6510
Atom HG of residue 8
P3495
Atom CG2 of residue 44
P2768
P7885
P6535
P6293
P4940
P5479
P5720
P7514
Atom HB of residue 70
P7595
P11194
P1438
P3794
P5061
Atom H of residue 27
Atom HB2 of residue 57
Atom HB2 of residue 43
P4653
P6818
P4239
P7663
P7442
P2438
P4808
P6692
P3072
ListSingletonContainer135
P4682
P5946
P1652
Atom HE2 of residue 48
P5809
P2428
P2594
P6103
Atom HD2 of residue 19
P6538
P3405
P4139
P1405
Atom H of residue 61
P7521
P3771
P6215
Model 213
P4520
P8603
P6809
P6604
P4391
P7669
P6080
P7732
P6285
P8178
Atom HG23 of residue 7
P4453
P2286
P2997
P2137
P2026
P1412
Atom C of residue 60
P472
P4194
P4933
P6933
P4231
P3496
P6967
P5721
P6957
P7515
P3070
Atom HD22 of residue 71
P3806
P3190
GLU
P1600
P9943
P5653
P6507
P6446
Atom H of residue 48
P1632
Atom CG1 of residue 70
ListSingletonContainer425
P5907
SER
Atom CD1 of residue 44
P2769
P6114
Atom HA of residue 27
P6536
P6294
P4941
P5480
P9249
P7596
P4240
P2470
Atom HG11 of residue 70
P4809
P1406
P8512
P6539
P13586
P7886
P4654
Atom O of residue 29
P3073
P3795
P11195
P4683
P7443
P5947
P1413
P2138
P5066
P7664
P2595
P6819
P4392
P6693
P4934
P1601
P3497
P6810
P1654
P2439
P2429
P3406
P4140
P177
P3772
P1314
P6216
P1622
P4521
P8604
LYS
P3071
P2093
Atom HA of residue 48
P5810
P7670
P7733
P3807
Model 72
P6934
P6286
Atom HD12 of residue 61
P4454
P7522
P6104
P8179
P6115
Atom O of residue 60
Atom HD11 of residue 71
Atom CB of residue 5
P4232
P6081
P3191
P2025
P1414
P6968
P6605
P6958
P2287
Atom HB3 of residue 43
P5654
P6508
P6447
P7887
P2998
P5722
P5908
P7516
Atom CD of residue 49
P2770
P9944
P8513
P6537
P6295
P4942
P13587
P5481
P9250
Atom HZ3 of residue 63
P7597
Atom HB3 of residue 57
P4810
Atom HA of residue 61
P2471
P0
P1874
Atom CB of residue 29
P3
P4242
P7665
P6811
P5811
P6694
P3796
P1623
P4651
P11196
P4684
P5948
P6105
P2094
P6540
P3340
P5067
P7444
P2596
P3076
P4393
P3060
P4455
P3498
P476
P4141
P7523
P3773
P6606
P6217
P6820
P4522
Atom CA of residue 61
P8605
Atom H of residue 4
P3808
P6935
P6287
P2440
P2430
P3407
Atom HB2 of residue 48
P4241
P7671
P7731
P8180
P4233
Atom HG of residue 57
Atom OE1 of residue 49
P3192
Atom HG21 of residue 30
Atom CA of residue 48
P1651
P4937
Atom HG of residue 43
P9945
P6116
P6969
P6959
P6448
P6082
Atom CG2 of residue 70
P2771
P1876
Atom HB of residue 61
P6538
P6296
P2288
P4943
P5482
P9251
P2999
Atom N of residue 64
P5655
P5723
Atom CB of residue 60
P5909
P7517
P0
P7888
P5064
P1407
P4811
P7598
P3152
Atom HG2 of residue 37
P1
Atom HA of residue 42
P4394
P8514
P6812
P2472
P3061
P13588
P3797
P1597
P4652
P5949
Atom OD1 of residue 60
P3341
Atom O of residue 72
P2095
P6821
P11197
P3499
P7445
P6541
P5812
P3408
P4142
P4685
P7666
P3774
P6106
P6218
P6695
P4523
Atom C of residue 61
P8606
GaussianProcessInterpolationRestraint 43
P2597
P7672
P3809
P6288
Atom C of residue 48
P4456
P176
ListSingletonContainer574
P1655
P6607
P7734
P6936
Atom H of residue 70
P7524
P1408
P6083
P3193
P8181
P2441
P474
P6449
P4983
P4234
Atom HG3 of residue 37
P2027
P6970
P5724
P5910
P6960
P7518
P4395
P5065
P6117
P6539
P6297
P2431
P5483
P9252
P3000
P7599
P5656
Atom CG of residue 60
Atom HD21 of residue 43
Atom CZ of residue 4
P9946
P8515
P4820
P2772
P13589
GLU
Model 399
Atom CB of residue 72
P2289
Atom CG2 of residue 9
P7889
P3342
Model 283
P7667
Atom HE2 of residue 27
Atom NE2 of residue 49
P6696
P3601
P6813
P3
P3062
P6937
P3798
P11198
P4686
P5950
P1656
P6542
P4944
P1409
P2598
P4243
P2473
P4457
P3500
P7525
Model 18
Atom ND2 of residue 60
P4143
P7446
P3775
P3075
P6219
P1598
P4524
P1843
P8607
Atom HA of residue 70
P91
P5813
P7735
P6289
P4984
P6107
P6822
Atom OD2 of residue 39
P4812
P3409
P417
Atom O of residue 48
P2
P3810
P3194
P9947
P6608
P2096
P7673
P8182
P6118
P1320
P6450
Atom CD1 of residue 43
P4235
P4107
Atom CA of residue 60
P2442
P4396
P2773
P4935
P3602
P6971
P6540
P6961
P6298
P6084
P5484
P9253
P5657
P7890
P3001
P3799
P1417
P5725
P5911
P7519
P2432
P4945
P3343
P2028
ListSingletonContainer575
Atom N of residue 50
P7600
P6814
Atom HD3 of residue 19
P3063
P6938
P1602
P4687
P5951
P6823
P2290
Atom CA of residue 64
Atom HD2 of residue 37
P7668
P2599
P8516
GaussianProcessInterpolation7
P6697
P13590
P4458
P3501
Atom H of residue 4
P5814
P3410
P4144
Atom N of residue 9
P3776
Atom CG of residue 72
P6108
P6220
Atom H of residue 39
P4244
Atom C of residue 56
P4525
P1844
P8608
P7447
Atom OD2 of residue 32
P418
P6543
P6290
P7526
P4813
P2474
P4
P1317
P6609
P6085
P4236
P1653
P3811
P3195
P4985
P1420
P7736
P5658
P5726
Atom CB of residue 60
P5912
P7520
P2813
P6451
P7674
P8183
P4108
P11199
Atom N of residue 108
P4397
P4936
P3603
P6541
P6299
P2097
Atom CD2 of residue 59
P5485
P9254
Atom CD of residue 27
P6972
P6962
P6119
P2443
Atom N of residue 20
P2774
Atom N of residue 44
P4946
Atom HD3 of residue 37
Atom HB of residue 70
P8517
P13591
P3002
Atom HZ1 of residue 63
P7601
P1422
P6815
P2
P6544
P3064
P6939
P7891
P3800
P9948
P2029
P5952
P92
Atom CD1 of residue 13
P2433
P4245
Atom O of residue 56
P3344
P11200
Atom OG1 of residue 22
P2600
P1604
Model 127
P3502
P1658
P2291
Model 232
P4145
P4688
P7669
P3777
P6221
P6824
P7737
P6698
P4526
P8609
P5
P3812
P6291
Atom N of residue 52
Atom HD12 of residue 13
P7448
P4814
P4873
P3411
P5815
P2475
P4237
P4938
Atom CA of residue 108
P7527
P6109
P419
P3196
Atom CD1 of residue 23
P4102
P6120
Atom CE1 of residue 59
P1
P1845
P5659
P2814
P6452
P6086
Atom H of residue 16
P6610
P7675
P2775
P8184
P3604
P1415
Atom CD of residue 72
P6542
Atom CG of residue 60
ILE
P6300
P2098
P5486
P7892
P9255
Atom HG11 of residue 70
Atom CE of residue 27
Atom H of residue 32
Atom H of residue 13
P5913
P7521
P4246
P9949
P4459
P6973
P6963
P4398
P3801
P1605
Atom HA of residue 13
GLU
P3345
P6816
P2444
P3065
P6940
P2030
P5953
P1663
P4947
P3003
P7602
P11202
TRP
P7670
ListSingletonContainer384
P2601
P5727
P5816
P6699
P3503
P1416
P6110
P6545
P3412
P4146
P4689
P3778
P8518
P6222
Atom HG3 of residue 38
P2434
P13592
P4527
P8610
Restraint 112
P6292
Atom H of residue 23
ASP
P7528
ARG
P6611
P6825
P4815
P2292
Atom CB of residue 56
P4874
Atom N of residue 38
P7449
P7738
P4939
Atom C of residue 40
P3813
P3197
P4103
Atom HD11 of residue 30
P1846
P2815
P4238
P4460
P420
P4399
P2476
Atom N of residue 9
P2776
P3605
P6121
P6543
P6301
P7676
P6087
P5487
P9256
P8185
P5660
P6453
P4247
P9950
Atom HE22 of residue 2
Atom CB of residue 59
P6974
P5728
P5914
P6964
P7522
P7893
Atom CB of residue 5
P7603
P6817
Atom HD21 of residue 25
P2099
P3066
Atom CA of residue 24
P3802
P5954
P93
P8519
P4948
P13593
P3346
P11203
P2602
P2445
P6941
Atom HB of residue 23
P3413
P3004
P4147
PRO
P4690
P3779
P6223
P6826
Atom HD2 of residue 38
P1603
P8611
P6546
P5817
P3814
P6293
P3504
P7671
P6111
P2435
P4816
Atom CG of residue 56
P6700
P4875
P1995
P4528
P2031
P4940
Atom O of residue 40
P7450
P3198
Atom HG3 of residue 51
Atom HG12 of residue 70
P6612
P2293
P7739
P3505
P7529
P1657
Atom CD2 of residue 15
P2816
P6088
P4191
P4461
P4400
P2477
P2777
P4239
P3606
P6544
P6302
P5488
P9257
P5661
P5915
P7523
P6454
P4248
P7677
Atom HD12 of residue 23
P8186
P6122
P3803
P1847
P5729
P9951
Atom N of residue 53
Atom HZ2 of residue 6
P6975
P6965
Atom CG of residue 59
Atom CD2 of residue 15
Atom HD12 of residue 43
P2100
P3067
P6942
P7894
Atom HG23 of residue 17
P4691
P7672
P5955
P6224
Atom CA of residue 39
P6701
P4949
P3347
P2603
Atom HD22 of residue 25
P6818
Atom CD of residue 42
P6547
P3005
P4148
P7604
P11201
P3780
P4529
P8612
P3506
P7530
P2446
P6294
Atom HA of residue 23
Atom HG13 of residue 70
P4462
P3505
P8520
Atom NH1 of residue 74
P4817
P4876
P13594
P3414
Atom HG2 of residue 29
P421
P1
P5818
Atom CA of residue 38
P4941
P6112
P6827
P3815
P3199
P9952
P7451
P1996
P2436
Atom HA of residue 3
P1360
P2817
P4192
P6613
P2294
P2778
Atom CZ2 of residue 28
P3607
P2032
P6123
P6545
P6303
P5489
P9258
P5662
P6455
P4249
P2478
P4401
P7678
P6089
P8187
P3804
P4240
P1848
P5956
P94
SingletonScore 22
P7895
Atom H of residue 10
ScoreState 30
P6976
P5730
P422
P5916
P6966
P7524
P3068
P6943
GLY
P3055
Atom HA of residue 17
P6225
P4950
P3348
P2604
Atom CZ of residue 45
Atom N of residue 18
Atom C of residue 38
Atom HG21 of residue 70
P8521
P6819
Atom HE2 of residue 29
Atom NH2 of residue 74
P2101
P6828
Atom HG13 of residue 61
P3415
P3006
P4149
P7605
P1
P11204
P4692
P4463
P7673
P3781
P6702
P8613
Atom HD13 of residue 43
P0
P1357
P5819
P6295
P3506
P6113
P4818
P4877
P1303
P6548
P4942
P4105
P7531
P3200
P1362
Atom HG3 of residue 29
P9953
P6614
Atom HE2 of residue 4
P6090
P7452
P5731
P1959
P2818
P2447
P7740
P3816
P2779
P4241
P3608
P6546
P5917
P7525
P6304
P2437
P5490
P9259
P5663
P1355
P6456
P4250
P2033
P3507
P4402
P2295
P4530
P5957
P2479
P7679
P8188
P3349
P6124
P1358
P13595
Atom HB2 of residue 45
Atom HG21 of residue 61
P3069
P6944
P3805
Atom O of residue 38
Atom HB2 of residue 52
ListSingletonContainer385
P6977
P6967
P4951
P11205
P2605
P6549
P7741
P7896
P1849
P3507
P6820
P423
Atom HA3 of residue 75
P3418
P4150
P4693
P4464
Atom HB3 of residue 39
P3782
P1304
P6226
P4106
P8614
Atom HG22 of residue 70
P6296
P7606
P7674
Atom O of residue 9
P2102
JeffreysRestraint_P1
P6829
P4819
P6703
P4878
Atom HD21 of residue 43
Atom HH12 of residue 42
P13596
P1321
P4943
P8522
P3820
P3201
P0
P3007
P9954
P4
P5820
P7532
P5732
P6114
P2819
P7742
Atom HZ of residue 45
P4242
P7453
P95
Atom CB of residue 1
P2780
P3416
P3609
P1306
P1960
P6547
P6305
P2438
P6091
P5491
P9260
Atom CB of residue 38
P5664
P3508
P7
Atom HB3 of residue 52
P6615
P1
Atom HB2 of residue 74
P6457
P4251
Atom HD11 of residue 30
P2034
P2448
P4403
P7897
P3806
P4531
GaussianProcessInterpolation62
P5962
P3021
P5918
P7526
P3350
Atom HG1 of residue 9
P7680
P3817
P8189
P6125
ListSingletonContainer577
P2480
Atom HG22 of residue 61
P3070
Atom CG of residue 45
P4952
P6978
P2606
P6968
P6821
Atom N of residue 76
P2296
P4151
P7607
P8
P4694
P4465
P7675
P3783
P6227
Atom CB of residue 33
P5821
P6704
P13597
P6945
Atom NH2 of residue 42
P1850
P8615
P8523
P6115
P6550
P6297
P11206
P3508
Atom N of residue 40
P424
Restraint 126
P4848
P4879
Atom HG23 of residue 70
Atom HB3 of residue 45
P4243
Atom CG of residue 38
Atom HG1 of residue 22
P2051
P7533
P6616
P6830
P7746
P3202
P3008
P9955
P5958
P2165
P2103
P5733
Atom HD2 of residue 6
P2820
P4404
P2781
P3417
P3610
ListSingletonContainer161
P7454
P1961
P6306
Atom HG12 of residue 61
P5492
P9261
Atom N of residue 46
P5665
P6458
P4252
P3818
Atom HG3 of residue 42
P4944
P6092
P3807
P4532
P3509
P6548
P2439
P1511
Atom HB3 of residue 19
P6126
P2449
P5919
P7527
P2481
P7681
P3071
P7898
P8190
P2035
P11207
P4695
Atom CG of residue 33
P4953
P3351
P2607
P7743
P3509
Atom CA of residue 40
P6979
P6822
P6969
P4152
P4466
P3784
P6228
P1
P6946
P1851
P8616
Atom CD1 of residue 45
GLY
GLY
P6298
P6831
P4869
P2297
P4880
P3022
Atom O of residue 30
P0
P6551
P5822
P7608
ListSingletonContainer151
P7676
P6116
P6705
P3203
ILE
P1309
P13598
Atom HD1 of residue 45
P3510
P8524
P5734
Atom HB3 of residue 27
P2821
P9956
P4945
Atom HG of residue 56
P6617
P2782
P3611
P7534
P5959
P1962
P6307
P2104
P6093
P5493
P9262
P1944
Atom HE2 of residue 45
P5666
P7455
P6459
P4253
P3819
P3009
P4244
Atom HB2 of residue 27
P4405
P3075
P3808
P4533
Atom HG22 of residue 30
P6549
P5920
P7528
Atom CD of residue 38
P6127
Atom CD of residue 74
P1512
Atom CD2 of residue 45
P96
P6823
P2482
P7744
P4696
P2440
P7682
P4954
P8191
Model 256
P3352
Atom H of residue 61
P2608
P425
P7899
P2036
Atom CD of residue 42
P7677
P2450
P3
P6706
P3419
P4153
P11208
P4467
P3785
P6980
P6970
P6229
P4870
Atom N of residue 5
P8617
ListSingletonContainer143
P6552
P6299
P4536
P3510
P4881
P13599
P6947
Atom HD2 of residue 45
Atom N of residue 71
P7535
P8525
P7609
Atom HD11 of residue 56
P3204
P9957
P5960
Atom CA of residue 76
P5823
P2298
P6117
P2822
P6832
P4946
P1307
P1437
P2783
P1852
P3612
P3511
P5735
P6550
P426
P6308
P5494
P9263
P1951
P5667
P6618
P0
Atom HB2 of residue 38
P6460
P4254
P7456
P3023
P1503
P4406
P7745
P3151
P3809
P37
ListSingletonContainer386
Atom N of residue 30
P2105
P4
Model 350
P3010
P4534
P3353
Atom HB of residue 61
P6128
Atom HG2 of residue 27
P6094
P6824
P1963
P5
P7900
Atom HA of residue 38
P3786
P4955
Atom HG3 of residue 19
P4245
Atom O of residue 6
P2609
P5921
P7529
P7683
P1440
Atom HG22 of residue 30
P8192
ASP
P4154
LEU
P4697
P4468
P6230
P2441
P6948
P2037
P8618
Atom HB3 of residue 27
P6981
P6971
P6833
P2483
P6300
P11209
ListSingletonContainer152
P3511
P7678
P2451
P6707
P4882
P3420
P5961
P5824
Atom ND2 of residue 60
P6118
P4823
P3821
P3205
P9958
P6553
P2299
P7610
Atom HD12 of residue 56
P7536
P5736
P2823
P1
P1310
P6619
P6095
P2784
P13600
P3613
P8526
P6556
P6309
P5495
P9264
P5668
P6461
Atom HE of residue 74
P4255
P1441
P4947
Atom CG2 of residue 30
P5922
P7530
P4407
P1323
P3810
P7457
P6
Atom CG2 of residue 17
Model 175
P427
Atom HD2 of residue 19
P4246
P4535
P1853
P3354
P3024
P1504
P3074
P2158
P6825
P1964
Atom HG12 of residue 61
Atom CA of residue 71
P4698
P6129
P2106
P4956
P1410
Atom HB2 of residue 38
P3513
Atom N of residue 25
ListSingletonContainer413
P2610
P3011
P3512
P7684
P3421
P4155
P4469
P3787
P6231
P6554
P7901
P2038
P8619
Atom CA of residue 32
P2484
P6301
P1324
P6982
P6972
P2442
P4883
P11213
P22
P7611
P7679
P2452
P6708
P3822
P3206
P13601
P6949
P9959
Atom C of residue 71
P8527
Atom H of residue 60
P1411
P0
Atom HG11 of residue 5
P5737
P2824
P2300
P5825
P4824
P4408
P2785
P1936
Atom HD13 of residue 56
P7537
P151
P6119
P6557
Atom HE3 of residue 27
P6310
P5496
P9265
P4247
P5669
P6130
Atom HB3 of residue 38
P6462
P4256
P1430
P4948
Atom CD1 of residue 30
P6834
P6096
P3614
ListSingletonContainer144
P6620
Atom CB of residue 67
P7458
P7902
Atom H of residue 17
P5923
P7531
P7747
P1412
P3811
P1854
Atom HG23 of residue 5
P3025
Atom CB of residue 37
P428
P1505
P4957
P3355
ASN
P5963
P2680
Atom HG13 of residue 61
P2107
Atom CB of residue 60
P4156
P4699
P4470
P6826
P6232
P7685
P2813
Atom HG2 of residue 38
P2039
P8620
P1965
Atom HD13 of residue 23
P6302
P7680
P5826
P6709
P4884
P3422
P3012
P3788
P6983
P6120
P6973
P6555
P1431
P4248
P11210
P4
P7748
P3823
P3207
P1414
Atom HE2 of residue 45
P4537
ListSingletonContainer576
P2443
P6950
P1937
P7538
P5738
P2826
P6835
Model 97
Atom O of residue 71
P2453
P6554
P1
P4825
P2488
P2786
P7612
P3615
Atom HB3 of residue 69
P6311
P5497
P9266
Atom CG of residue 67
P9960
P5670
Atom HG13 of residue 5
P6463
P4257
P13602
P4949
P3512
P3513
P8528
P4409
P3812
P3356
P11211
P6131
Atom H of residue 30
P6621
P6097
Atom CA of residue 3
P7459
P2301
P2825
Atom N of residue 24
P1432
P4958
Atom O of residue 42
Atom HE2 of residue 1
P5964
P2800
P7
Atom CA of residue 6
P5924
P7532
P7903
P1855
P23
P3026
ListSingletonContainer398
Atom CG of residue 37
P1506
P1407
P4157
P4700
P4471
P3792
Covariance1DFunction 3
P6233
P2814
P8621
Atom HG of residue 43
P1966
P7686
P3824
P6303
P4538
P4885
P3423
P3013
P2040
P11212
P6827
P4249
P6984
P6974
GeneralizedGuinierPorodFunction 66
P7749
P3208
Atom HG of residue 69
P2108
P6556
P5827
P2489
P1938
P7681
P8
P6121
P6836
P6710
P13603
P6951
Atom HZ of residue 45
Atom HB3 of residue 38
P24
Atom H of residue 1
P3514
P8529
P6555
P4826
P2787
P1417
P7613
P3515
P3
P3789
P6312
P2444
P5498
P9267
P9961
P5671
Atom CB of residue 71
Atom HD13 of residue 13
ListSingletonContainer399
P6464
P4258
P4950
P7539
P5739
P2454
P429
P4410
P1386
P6098
P3813
P3616
P1433
P3357
P5965
P6622
P5925
P7533
Atom C of residue 67
P6132
P7460
P4959
Atom CD1 of residue 50
P1623
ASN
P2302
P1856
P4
P1507
P3424
P4158
P4701
P4472
P2678
P6828
P6234
P2815
P7904
P8622
Atom O of residue 15
P7682
P3027
Atom OD2 of residue 21
P6711
P3825
P6304
P123
Atom HD11 of residue 69
P7687
P4886
P3516
Atom HD11 of residue 43
P430
P6557
P17
P7750
P3209
P3014
P4540
P2041
P7540
P3790
P6985
P6975
P1939
P5677
Atom CA of residue 14
P3920
P4250
P3515
P5828
P4827
P4411
P2788
P6952
P1967
P6122
P6313
P2109
P6837
P1434
P5499
P9268
Atom N of residue 46
P6465
P4259
P7614
P4951
P5740
P2455
Restraint 125
P2445
P1394
P3814
Atom O of residue 67
P9962
P3617
P6623
P1354
P2827
P13604
P3358
P18
P6133
P8530
P4539
P6831
Atom CA of residue 60
P1419
P4702
P6099
P4960
P5966
Atom H of residue 21
P2487
P2303
P7905
P11214
Atom CB of residue 15
P1508
P1444
P3425
P4159
P4473
P2679
Atom HB2 of residue 69
P5926
P7534
P6235
P2816
P8623
P3028
P6838
P1415
P3826
P0
P6305
P3921
P1625
P1355
P4887
P1857
P19
Atom HB2 of residue 43
P7688
P5678
P3516
P7683
P7461
P7751
P6712
P3210
P3791
P6986
P6123
P431
P6976
P3015
P4251
P2042
P6829
P1968
Atom HD12 of residue 8
P6558
P4828
P4412
P2789
P7615
P3618
P7541
P6314
P13605
P5500
P6953
P9269
P9963
Atom CG of residue 71
P8531
P6466
P4260
P6100
P4952
ALA
P3815
Atom HD11 of residue 73
Atom HA of residue 50
P6624
P2828
P2110
P5854
Atom HG21 of residue 5
P3359
P3514
ListSingletonContainer387
P2651
P5741
P5927
P7535
P1384
P2
P2456
P2446
P4703
P2
P4961
P2179
P1942
P5967
Atom C of residue 60
P1446
P11215
P6134
P7462
P3426
P4160
P4474
Atom HD12 of residue 44
P6236
P2817
P8624
P6839
P3827
P6306
P1858
P3517
Atom CD2 of residue 50
Atom H of residue 50
P6559
P4888
P7906
P1401
P2304
P4252
P1622
P1519
P7689
P3211
P3029
Atom CD1 of residue 71
P7684
P7752
P6713
P2043
P6987
P3865
P6977
P4829
LEU
P2790
Atom HD21 of residue 25
P4541
P3619
P5675
Atom HD12 of residue 73
P6315
P5501
P9270
P3016
Atom HB3 of residue 42
Atom HA of residue 44
P432
P6467
P6908
P4261
P0
P6954
P4953
P3517
P7542
P2652
P5742
P6830
P6124
P4413
P6135
P1969
P2829
P1943
Atom O of residue 39
P7616
P3360
Atom HG21 of residue 61
P5968
JeffreysRestraint_P1
P6101
P9964
P6625
P13606
P3816
P4704
P8532
P2111
P4962
P7907
Atom CA of residue 46
P5928
P7536
P11216
P7463
Atom H of residue 50
P2457
P4161
P4475
P3793
P6237
Atom O of residue 60
P2818
P8625
Atom C of residue 6
P6840
P1438
P3828
P6307
P3020
Restraint 72
P3518
P2447
P4889
P3427
Atom N of residue 1
Atom CD2 of residue 71
P1390
P2305
P4253
P1859
P7685
P3030
Atom HD22 of residue 50
P7753
P6714
P3212
P5676
P1626
P6560
P7690
P99
P6909
P2044
Atom HD22 of residue 15
P4830
P4414
P2791
P9965
GeneralizedGuinierPorodFunction 39
P7543
P6988
P6626
P6978
P6316
P5502
P9271
Atom CB of residue 39
P3866
P6468
P4262
P3
P3053
Atom C of residue 46
Atom HD22 of residue 25
P4542
P4954
P3519
Atom HD21 of residue 73
P13607
P6955
P8533
P6125
P2830
P1392
P1940
P7617
P3361
P1439
Atom HA of residue 50
P3817
P3620
P4705
P6136
P100
P3794
P2618
P5743
P6832
P6102
P4963
Atom CA of residue 23
P5969
P1970
P11217
P3519
Atom HA of residue 15
P3428
P4162
Atom H of residue 71
P5929
P7537
P6238
P2112
Atom HG23 of residue 13
P2819
P7908
Atom N of residue 119
P3073
P8626
P7464
Atom HB3 of residue 6
P6841
P3829
P6308
P2458
P4890
Atom HG22 of residue 61
ListSingletonContainer139
P4476
P1510
P7754
P3213
Atom O of residue 46
P433
P2448
P1388
P0
P3054
P1860
P3031
Atom HB of residue 44
Model 214
P2306
P7691
P4254
P4544
P3520
Atom HD23 of residue 73
P6561
P4831
P2792
P7686
P6317
P6715
P5503
P9272
P7465
P6989
P5744
P6979
P6469
P4263
P4955
Atom HB2 of residue 50
P4415
Atom CG of residue 39
P3818
P9966
P6126
P6627
P3867
P2831
Atom H of residue 2
P6853
P6956
P1941
Atom HZ3 of residue 63
P3362
P2045
P7544
P5970
P6103
Atom CA of residue 59
P21
Atom HG22 of residue 22
P7618
P3621
P3795
P2619
P6833
P4964
Atom CB of residue 46
Atom CB of residue 66
P434
P5930
P7538
P13608
P4543
P3520
P6137
P8534
P4163
P11218
P4706
P4477
P1971
P6239
P2820
P3074
P8627
P3830
P6309
P2113
Atom HZ3 of residue 63
P7909
P3429
P7687
P6842
P6716
P3019
P4255
Atom HG22 of residue 26
P7755
P3214
Atom HG23 of residue 61
P14
P2459
P6318
P6562
P1389
P1861
P1624
P7545
Atom HH of residue 59
P4832
P4416
P7692
P2793
P3032
Atom CG1 of residue 26
P2449
P4891
P5504
P9273
Atom N of residue 64
P7466
P5679
P6470
P6854
P4264
P2307
P4956
P6990
P6127
P6980
P6
P2832
P1966
P7619
P3363
P2046
P5971
P5745
Atom HG2 of residue 16
Atom CA of residue 54
P13609
P6957
P9967
ListSingletonContainer140
Atom HD22 of residue 71
P8535
P6628
P3868
P3819
P3622
P6138
P3796
P2620
Atom HB2 of residue 31
Atom N of residue 64
P4965
Atom H of residue 46
Atom HB3 of residue 73
Atom HG23 of residue 22
P3521
P6104
P3430
P4164
P11219
P4707
P6240
P2821
P7910
P8628
P3518
P435
P6843
P6310
P1972
P1627
P7539
Atom HG12 of residue 23
P4545
P4478
P0
P4256
Atom N of residue 60
Atom C of residue 66
P5680
P3831
P3215
Atom HA of residue 71
P6834
P6319
P2114
P4892
GLU
P1862
P3060
P7
P15
P7688
Atom HG23 of residue 26
P6717
P4833
P2794
P3033
P2460
P5931
Atom HB3 of residue 56
P7693
P7756
P5505
P9274
P7467
P6471
P6563
P6855
P4265
P4957
P7546
P6128
Atom O of residue 54
P4417
Atom HB of residue 9
P3820
P9968
P3623
P6991
P6629
P6981
P2833
P2450
P6105
Atom CA of residue 64
P1955
Atom HB1 of residue 46
P2308
P3869
P6958
P16
P3797
P2621
P5746
Atom HG3 of residue 16
P1629
P7540
Atom HG13 of residue 23
P4966
P8629
P5972
P7620
P3548
Atom CG2 of residue 26
P5932
Model 50
Atom HB3 of residue 31
P3431
P4165
P2047
P11220
P4708
P6241
P2822
P13610
P6139
ASN
Atom CA of residue 66
P8536
P6844
P3832
P6311
P13488
Atom HB2 of residue 71
P3522
Atom HG2 of residue 6
P4546
P3061
P4257
P1973
P436
P6564
Atom HZ2 of residue 63
P3216
P7911
Atom HD12 of residue 61
P4893
P3364
Atom OG1 of residue 7
P5681
P4834
P4418
P2795
P7689
P3034
P6835
P6320
P2115
Atom CD1 of residue 23
P7757
P6718
P5506
P9275
P3624
P7468
P1634
P6472
P6856
P4266
Atom HH22 of residue 42
P7694
Atom CA of residue 64
Atom CB of residue 23
P4958
Covariance1DFunction 91
P2461
Atom HG of residue 56
P1952
P1863
P34
P4479
P2834
Atom HB2 of residue 46
P7547
P6992
P5747
P6129
P6982
Atom CB of residue 54
P3870
P3821
Atom HA of residue 61
P3549
P4709
P3798
P2622
P2451
P6106
P4967
P13611
P6959
P9969
P8630
P5973
P8537
Atom N of residue 21
P6630
P2309
P7621
Atom HB3 of residue 71
P3523
P5934
P3432
P11221
P7541
P6242
P2823
P6845
P3833
P6312
P2048
P6140
P7912
P4166
P4547
P3062
P3365
P4258
P3217
P13489
ListSingletonContainer141
Atom CA of residue 60
P6836
Atom CA of residue 11
Atom N of residue 54
P7690
P1314
P1974
P1452
P6719
P6130
P6565
P4835
P4419
Atom O of residue 46
P4480
P6321
P2116
Atom H of residue 23
P4894
P5507
P9276
P3625
P5682
P6473
P6857
P4267
P9970
P4959
P7548
P6631
P7695
P7758
P2796
P1954
P3822
P1864
P7469
P2835
Atom N of residue 43
P3
P5974
Atom HD11 of residue 56
Atom C of residue 54
Atom O of residue 48
P3035
P6993
P2462
P6983
P1310
P3799
P2623
P4968
P1
P6837
P6960
P5748
P5935
P2452
P6107
P3437
P8197
P4710
ASP
P437
P6243
P1459
P2824
P7622
P8631
Atom HG of residue 71
P3871
P2310
P3834
P6313
P13490
P11222
P3521
P3524
Atom C of residue 60
P7542
P13612
P7913
P4167
P4549
P3063
P3366
P6141
P8538
P4259
Atom HB3 of residue 25
P4481
P1628
P3218
P6846
Atom HB3 of residue 46
P1975
P5683
ARG
P4849
P4420
Atom CB of residue 46
P6322
P7759
P4895
P5508
P9277
P7470
P6474
Atom C of residue 76
P6566
P6858
P4268
Atom HB3 of residue 2
P4960
P7691
P6131
P438
P6720
P2797
P3433
ListSingletonContainer168
P5749
P2836
P2117
Atom HH11 of residue 42
P7696
P1460
P8198
P5975
P1945
P4548
P9971
Atom CB of residue 48
P3036
P6632
P4711
P7549
Atom O of residue 60
P6994
P2624
P6984
P6108
P4969
P5432
P3626
P6838
Atom CD of residue 73
P7623
P1865
P3525
P2463
P0
Atom HB2 of residue 6
P13613
P6961
P4168
P3367
P11223
P3800
P8539
P7543
P6244
P2825
Atom N of residue 26
P8632
P3872
P5933
P3835
P6314
LEU
P2453
Atom HD22 of residue 56
P3064
Atom HD11 of residue 71
P4260
P3522
P6142
P2311
P7914
P3823
P7692
P6847
P4850
P6721
Atom HB3 of residue 25
Atom NH1 of residue 68
P4482
P13491
P6567
P2798
P3219
Atom HE2 of residue 45
P1976
P6323
P1450
P4896
P5509
P9278
ListSingletonContainer142
P7471
P6475
P6859
P4961
P4421
P5684
P2837
Atom H of residue 76
Atom CA of residue 54
Atom HA of residue 56
Atom N of residue 47
P3368
P5976
P6132
P4269
P7697
P7760
P1946
P5435
P439
P3434
P4712
P3801
P2625
P5750
P2118
P4970
P9972
P3627
Atom CG of residue 48
P7550
P6839
P6633
P6985
P1866
P1453
P4169
P11224
P6245
P2826
P6962
P8633
P3037
P2464
P5936
P6109
P3836
P6315
P3824
P8194
P3526
Atom C of residue 34
P7915
P4550
Atom NH2 of residue 68
P7624
P3065
P13492
P4261
P3523
P13
P6995
P7544
P13614
Atom HA of residue 46
P6143
P8540
P2454
Atom H of residue 8
P3873
THR
P5685
P2312
VAL
P6848
P4422
P1451
P7761
P2799
P3220
P4483
P7693
P6324
Atom C of residue 54
P6722
P4897
P5510
P9279
Atom CG of residue 41
P7472
P6476
P6860
P4837
P4962
P1977
P6133
P3435
Atom CB of residue 60
P2838
P6568
P3369
P5977
P4270
P1947
P9973
P6634
Atom HA2 of residue 76
P6110
P4717
P3802
P2626
Atom O of residue 34
P4971
P3825
P3628
P7551
P6840
P6996
P5751
P440
P5937
P6986
P7545
P4170
P5378
P11225
P6246
P2119
P2827
P8634
P3038
P3837
P13615
P6963
P6316
P8195
P3527
P8541
P7698
Atom H of residue 4
P7625
P3066
P0
P1397
P4262
P1867
P3524
P2465
P2804
P3221
P4484
P6849
P2455
Atom CD of residue 41
P6144
P3874
P6569
P7916
GLY
Atom HD12 of residue 71
P4838
Atom HB3 of residue 56
Atom HG12 of residue 3
P4713
P6325
P4898
P5511
P13493
P9280
P5686
P6477
P6861
P4271
P1
P4963
Atom C of residue 17
P7694
P4423
P7762
P6723
P3826
Atom CA of residue 26
Atom CG of residue 60
P2839
Model 233
P3436
P3629
P51
P5978
P1978
P2313
P1948
P4551
P7473
P1387
P7552
P3803
P2627
P5752
P6134
P7699
P4972
P3370
Atom O of residue 9
P3528
P6997
P6111
P4171
P5379
P9974
P4485
P6635
P6987
P6247
Atom HB3 of residue 42
P2828
P8635
P6841
P3838
P2807
P6317
Atom O of residue 1
Atom C of residue 26
Atom O of residue 61
P7546
P6964
P3067
Atom O of residue 17
P5938
P2120
Atom HG of residue 56
P4263
P11226
Atom HD13 of residue 71
Atom O of residue 26
Atom N of residue 34
P3222
P7626
P13494
P1868
P8210
P3039
P3
P13616
P6145
P8542
P1331
P4839
P7917
Linear1DFunction 25
ListSingletonContainer159
P7695
Atom OD1 of residue 60
Restraint 33
P6326
P2456
P6724
P4899
Model 73
P5512
P9281
P3525
P6135
P6478
P4097
P6570
P6862
Atom HG12 of residue 23
P4964
P2466
P4424
P4714
P3875
P5687
P2840
P9975
P3630
P3371
P5979
P6636
P441
P1
P4272
P7763
P1949
Atom O of residue 2
P7474
Atom H of residue 75
Atom OE1 of residue 41
P7553
P3804
P2628
P1979
P7700
P4973
P5939
P2314
P6318
Atom C of residue 117
Atom HB of residue 70
P4172
P5380
P3827
P4486
Atom HG3 of residue 18
P6248
Atom H of residue 2
P2829
P3438
P8636
Atom HD21 of residue 71
P6998
P5753
P6988
Atom CA of residue 23
P6112
P3839
P0
Atom CB of residue 26
Atom CB of residue 26
P3529
P7627
P3068
P13617
P6965
Atom CD1 of residue 84
P4264
P11227
ListSingletonContainer167
P8543
P6842
P7547
P3223
P4552
P442
P1391
P5513
P8211
P3040
P2121
P4098
P2803
Atom CA of residue 16
P4840
P4425
Atom HG12 of residue 5
P4715
P6146
Atom HE2 of residue 33
P6327
P4900
P7918
P9282
P3631
P3526
P6999
P5688
P6479
JeffreysRestraint_P0
P6863
P4273
P1869
P4965
P3
P7764
P13495
Atom O of residue 26
Atom O of residue 38
P3876
P2841
P6571
P2457
P3372
P7696
P5980
P6136
Atom CB of residue 23
P6725
P5754
P2467
P3805
P2629
P1980
Atom HG12 of residue 70
P4974
P2
Atom HG22 of residue 23
Atom HZ2 of residue 33
P9976
P1339
P7475
P6637
P6319
P7554
Atom N of residue 15
P7701
P6113
P4173
P5381
P4487
Atom H of residue 33
P6249
P2830
P3439
P2245
P8637
P1857
P6843
P5940
P2315
P3840
P3828
P3530
Atom N of residue 19
P6989
P7548
P3069
P4265
P8199
Atom ND2 of residue 60
P1398
P3224
P6966
P4553
P4
P1429
P5514
P9283
P11228
Atom C of residue 16
P7628
P70
P7697
P4841
P7702
P6726
P13496
P443
P6328
P2122
P4901
P13618
P4716
P6147
P7000
P8544
P6480
P6572
P6864
P4274
P7919
P4966
P4426
Atom HG13 of residue 23
P7555
P3041
P2842
Atom HZ3 of residue 33
P1870
P3632
P3373
P5981
P1400
P1956
P7476
Atom CB of residue 38
P5689
P1430
P3527
Atom HG13 of residue 23
P2630
P1981
P6137
Atom HG21 of residue 70
Atom HA of residue 33
P2458
Atom CG1 of residue 23
P7765
P4975
P6844
P3829
P1858
P5755
P2468
P3877
P2037
P4174
P5382
P9977
P4488
P3806
Model 299
P6638
P6250
P2832
P2246
P8200
P8638
Atom H of residue 60
P6320
P1634
P3531
P3070
Atom HD23 of residue 71
P5941
P6990
P6114
P3440
P4266
P11229
P2316
P1431
P3225
P4554
P57
P13619
P6967
P9284
P8545
P7549
P0
P7629
P4842
P7703
P1389
P5690
P6329
P2831
P4902
P5515
P7001
P6481
P6865
P7766
P3841
P1957
P4967
P6148
Atom CE of residue 33
P4427
P6727
P7920
Atom HG21 of residue 23
Atom CB of residue 20
P444
Atom HG22 of residue 70
P2843
P2123
P1871
P3633
P3374
Atom CG2 of residue 26
P5982
P6138
P13497
P3042
P6573
P3830
P7556
P4976
P9978
P4718
P6639
P6115
P7698
P3878
P4175
P5383
P1636
P3071
P4105
P4489
P7477
P1859
P3807
P2631
P6251
P2459
P3441
P8642
P3528
P5756
P5942
P1390
P2038
P6321
P3532
P1982
P2469
Atom N of residue 72
Atom HG23 of residue 23
Atom CD of residue 49
P4275
P4267
P4555
P132
P6845
P6991
P3226
P2247
Atom N of residue 67
P6968
P7550
P4843
P2317
P7704
P6330
P6574
P4903
P5516
P9285
P7630
P1313
P7002
P6482
P6866
P3842
P13498
P4968
P1
P1
P4428
Atom CG1 of residue 70
P13620
P3831
P8546
P5691
P7921
Atom C of residue 12
P4556
P3634
P3375
Atom H of residue 26
P8639
P7699
P5983
P7767
P1425
Atom OG of residue 20
P1872
P4106
P11230
P2633
Atom CG2 of residue 70
P2844
P2124
P4977
P1953
P4719
P3043
P1
P3533
P7557
P5757
P6139
P4176
P5384
P3076
P4490
P3808
Atom OE1 of residue 49
P6252
P4276
P3442
P7478
Atom HA of residue 60
P1888
P6846
P4198
P6116
P6728
P6322
P9979
P1983
P6640
P3529
Atom CD of residue 38
P2460
P2039
Atom HB of residue 7
P4268
P3227
P2248
P2632
LEU
P2470
P5943
P6992
P2833
P3879
P1426
P7631
P8265
P445
P7551
P4844
P7705
P13621
P6969
P4557
P8547
P6331
P4904
P5517
P9286
Atom CD1 of residue 13
P11231
P8640
P2049
P6483
P6867
P4199
P3843
P3152
P4969
Atom HA of residue 26
P131
P4429
Model 351
P2318
Atom N of residue 54
P3832
P7003
P6140
P6575
P2130
P3635
P7700
P5984
P2
P7922
P5692
P6729
P9980
P1873
Atom HG12 of residue 26
P7558
P6641
Model 19
P2845
P7768
P1434
P4978
P13499
P3376
P4103
P4720
Atom HB2 of residue 60
P0
P2043
P6847
P2125
P4177
P5385
P4491
P3044
P3809
P446
Atom CD2 of residue 59
P5944
Atom NE2 of residue 49
P6253
Atom HA of residue 38
P4277
P3443
Atom HG22 of residue 14
Atom CG2 of residue 70
P6323
ARG
P3534
P7479
P5758
P0
P6117
P1958
P4269
P1889
P3228
P3153
P3530
Atom C of residue 67
P3880
P2461
P1438
P2834
P3844
Atom H of residue 13
P6993
P7552
P2249
P1984
P4845
P4191
P2471
P6332
P4905
P5518
P6970
P9287
P11232
P8641
P2050
P7004
P6484
P6868
P4200
P7706
P1637
P4970
P3833
P4558
P7632
P5693
P2846
P4430
P13500
P3636
P3377
P4104
P5985
P4278
P2319
ARG
P7769
P13622
P8548
P7923
P7701
P6141
P0
P6730
P4979
P4721
P8297
Atom CA of residue 15
P1877
P3075
ListSingletonContainer198
Atom CA of residue 72
Atom HG13 of residue 26
P6848
P1439
P4178
P5386
P9981
P4492
Atom HB3 of residue 60
P3810
P6642
P6254
P2045
P3444
P1959
P7559
Atom CE1 of residue 59
P6118
P6324
P3535
P3045
P1860
P2634
Atom N of residue 50
P2126
P6576
P3845
Atom HD12 of residue 13
P4192
P7480
P447
P5945
Atom H of residue 70
P4270
P5759
Atom CD of residue 37
P3229
P3881
P2835
P8298
P7553
P3531
P7702
P1985
P6994
P4846
P7707
P4559
P6333
P2462
P4906
P5519
P9288
P7005
P6485
P6869
P4201
P13623
P6971
Atom HA of residue 8
P4971
Atom C of residue 72
P8549
Linear1DFunction 40
P3834
P2250
P7633
P11233
ListSingletonContainer6
P2472
P2847
Atom HA of residue 13
P1909
P3637
P8660
P5986
P4279
P7560
Atom HD2 of residue 59
P3
Atom CG1 of residue 61
Atom HD21 of residue 60
P3811
P6577
P4431
P6731
P4980
P7924
P3378
P6512
P4722
P5694
P2320
P6849
P6142
Atom CA of residue 54
P7770
P1432
P13501
P4179
P5387
Atom CG1 of residue 26
P4493
P6255
P3445
P1967
P66
P6325
P4107
P9982
P11234
P3536
P1861
P2635
P6643
P3846
P1354
Atom CB of residue 70
GLU
P4271
P4560
P7481
P5760
P4847
P3230
P2813
P8267
P5946
P6119
P2836
P1489
P3046
P448
P2040
P1635
P7703
P7708
P7554
P6334
P2127
Atom C of residue 36
P4907
P5520
P9289
P3532
P7006
Atom HG22 of residue 66
Atom HA of residue 59
P6486
P6870
P4202
P4280
P2251
P4972
Atom O of residue 72
Atom HA of residue 37
P3882
Atom O of residue 45
P5695
P1433
P6972
P3835
P2848
P2463
P4432
P3638
P8661
P1986
P7634
Atom N of residue 10
Atom C of residue 54
P13502
P1490
P3812
P6143
P2473
P6995
P6256
P4981
P13624
P3379
P6513
P5987
P8550
P6578
P7925
Atom C of residue 16
P7561
P6850
P6732
P4180
P5388
P9983
P6644
P6120
P7771
P3446
P1875
P4723
Atom CB of residue 8
P4852
P2321
P1437
P6326
P4108
P1639
P11235
P3537
P1862
P2636
P8268
Atom HD3 of residue 6
P3847
Atom HB of residue 13
P2334
P4494
Atom HB2 of residue 45
P5761
Atom OH of residue 59
P5947
P7555
Atom C of residue 4
P4272
Restraint 73
P3231
P2814
P7482
Atom HD22 of residue 60
P2837
P4
Atom CD2 of residue 129
P4561
P7704
P0
Atom CA of residue 10
P101
P1491
Atom CB of residue 45
P6335
Atom CG2 of residue 17
P4908
P5521
P9290
P3533
P6996
P6487
P6871
P4203
P4281
P4973
P3047
Atom O of residue 36
P4433
P3836
P7635
P8644
P2849
P2128
P6733
P6973
P3639
Atom CB of residue 72
P8551
P1987
P3883
Atom H of residue 39
P7007
P5696
P2464
P7712
P3813
P6257
P2041
P4982
P3380
P4724
P5988
P6579
Atom HG of residue 15
P3538
P6851
Atom HA of residue 42
P2474
P7926
P4181
P5389
P1640
P6514
P4495
Atom HB3 of residue 45
P7772
P3447
Atom N of residue 51
Atom HG2 of residue 19
P7562
P6144
P1
P4868
P2322
P1684
P6327
P13503
Atom HD1 of residue 4
P11236
P0
Atom N of residue 61
P2637
P449
P3848
P5762
Atom HG23 of residue 9
P6121
Atom HG3 of residue 2
P4273
P4562
P9984
P6645
P3232
Atom HG12 of residue 13
Atom HG21 of residue 22
P2815
P8269
P2838
P2357
P7483
P7556
P7705
P1863
P5948
P6336
P1319
Atom H of residue 17
P4909
P5522
P9291
Covariance1DFunction 61
P3534
P6997
P6488
P6872
P4282
P4974
GaussianProcessInterpolation75
Atom CA of residue 34
Atom CB of residue 36
P4434
P3837
P8645
P2850
P7709
P4988
P3640
P5989
P3048
P450
PHE
P4204
P6974
P1481
P7008
P6145
Atom CB of residue 40
P3814
P1439
P2129
P6734
P7636
GLU
P3381
P6515
Atom HG3 of residue 19
P4725
P5697
P13504
P9985
LEU
P3539
P7563
ASP
P6646
P3884
P2465
P7773
P2042
P4182
P5390
Atom OXT of residue 129
P8552
P1988
P6258
P6580
P1685
P3448
P6328
Atom O of residue 29
P11237
P2638
P8270
P2475
P5949
Atom CB of residue 2
P3849
Atom HE3 of residue 29
P4496
P4851
P4274
P1638
P4563
Restraint 127
P2323
P3233
P2816
Atom H of residue 45
P5763
P6852
Atom HG23 of residue 3
P6122
P2839
P7710
Atom CG of residue 40
P7927
Atom HG13 of residue 13
P1482
P7484
P1864
P4435
P1498
P1440
P7557
P6337
P4910
P5523
P9292
P7706
Atom CA of residue 45
P6489
P6873
P4205
P4283
P4989
P4975
ILE
P1
P3840
P2252
Model 257
P8646
Atom CG of residue 72
P6998
P2851
P3641
Atom N of residue 20
P3049
Atom HA2 of residue 76
P6581
Atom HA of residue 39
Atom C of residue 67
P5698
P6975
P3535
P3815
P8553
P2130
P2046
Atom CB of residue 29
P7637
P3382
P60
P4726
P7009
P451
Atom CA of residue 12
P6146
Atom O of residue 34
P1441
P7774
P6735
P4183
P5391
P5764
P6259
Atom OE1 of residue 2
P3885
P7711
P7928
P6329
P3838
P9986
Atom CD1 of residue 53
P6516
P3540
P2639
P6853
P1989
P6647
P6999
GeneralizedGuinierPorodFunction 9
P1
P3850
Atom HZ1 of residue 29
P4497
P7564
Restraint 34
P6123
P3449
P13505
Atom HG21 of residue 13
P4275
P11238
P1483
P3234
P2817
P2476
P5950
P2466
P2840
P1
P1499
P5990
P7558
P4564
P7707
P8271
P4436
P2324
Atom CD of residue 72
P7485
P6338
P4911
P5524
P9299
SER
P6490
P6874
P4206
P4284
Atom O of residue 41
P4976
P8647
Atom HD13 of residue 3
P2852
P3642
ListSingletonContainer150
P1865
P2253
Atom CB of residue 67
P7010
P2047
P4986
Atom CA of residue 61
Atom HG3 of residue 40
Atom CD of residue 40
P6736
P6976
P3383
P1484
P4727
P7565
P2131
Atom HA3 of residue 76
P6582
Atom C of residue 51
P3536
P3541
P3050
P1432
P1681
GaussianProcessInterpolation45
P4184
P5392
Atom CD1 of residue 58
P7638
P3816
P5699
P6260
P3450
P13506
Atom HG22 of residue 13
P6147
P3886
P452
P7775
P7929
P6330
P3839
P11239
P2640
P8554
P7000
P3855
P9293
P6517
P4498
P5765
P4276
P9987
P8272
P1990
P6648
P3235
P2818
P36
Atom C of residue 61
P6854
P2477
P2841
P4565
Atom CA of residue 51
P7708
P5951
P0
P6124
P6339
P2467
Model 389
P4912
P5525
Atom O of residue 10
P1485
P7486
P5991
P6491
P1
P6875
P4207
P4285
P1490
P4977
Atom NE of residue 72
LEU
Atom HD22 of residue 15
P7559
Atom N of residue 6
P2325
Atom CB of residue 50
P8648
P2853
P7713
P4987
P3643
P1866
P5700
P2254
P1433
P7776
P3851
P2044
Atom O of residue 50
P7639
P3384
ListSingletonContainer145
P4728
P0
P6977
P3537
P8555
Atom HE21 of residue 40
P6148
P1682
P9294
P4185
P5393
Atom N of residue 5
P3817
P7011
P6261
P6
Atom CG1 of residue 5
P6583
P3451
P7566
P3051
P4437
P6737
P6331
P9988
P11240
P3542
P2049
P2641
P6855
P6649
Model 176
Atom HA of residue 15
P7001
Atom O of residue 121
P1486
P4499
P3887
GeneralizedGuinierPorodFunction 67
P8250
P7930
Atom HG23 of residue 13
P4277
Atom H of residue 67
P6518
P3236
P2819
Atom C of residue 20
P5766
P5952
P7560
P2132
P1793
P2842
P13507
P5992
P1991
Atom HD11 of residue 67
P4566
P29
P2478
P6340
Atom O of residue 76
P7714
P6125
P4913
P5526
P1491
P8273
P6492
P6876
P4208
P4286
P4978
P7487
P1434
P3841
Atom O of residue 16
P8649
P1494
P2854
Atom CD2 of residue 43
P2468
P7931
P3644
Atom CZ of residue 72
Atom H of residue 57
P2255
Atom HD11 of residue 67
P2326
P6738
Atom CB of residue 50
P3818
P453
P3385
P4729
P5701
P6584
P4438
P3543
P6856
Atom HB3 of residue 40
P1
P7777
P3852
P2048
P6978
P9295
P4186
P5394
P4500
P7712
P1867
P6262
P7012
P2
P6332
P7640
P11241
P1500
P2642
P7002
P8251
P13508
P7567
P5993
P3052
P5767
P3888
P3452
P4278
P4567
P8556
P1
P1435
P7
P3237
Atom CB of residue 121
P2820
P6519
P2050
P2843
Atom HD11 of residue 13
P9989
Atom CA of residue 58
P3538
ListSingletonContainer174
P8274
Atom C of residue 56
P6650
P6493
P1683
P454
P2133
P1795
Atom CG1 of residue 55
Atom O of residue 20
P1992
P7561
P6341
P6126
P4914
P5527
ScoreState 43
P5953
P6877
P4209
P4287
Atom CG of residue 43
P4979
P4439
P3842
P8650
P7709
P7488
P2479
P2855
P8252
P8197
P7932
P1492
P3645
Atom HD2 of residue 72
P3057
Atom HD12 of residue 67
Atom HD12 of residue 67
P3853
P1501
P3819
P2469
Atom HA of residue 57
Atom CD of residue 18
P3386
P4730
P1436
LEU
P84
P3544
P5994
P2327
P6739
P4187
P5395
P4501
P5702
P6263
Atom HD22 of residue 43
P6979
P3453
P2256
P9990
Atom C of residue 58
P7568
P8557
P6651
Covariance1DFunction 37
P1686
P7778
P6333
P7641
Multivariate Normal distribution 30
P1868
P7013
P2643
P6857
P6585
P9300
P7715
P8198
P5954
P7003
P3238
P2821
P2844
P6520
P11242
P7710
Atom O of residue 56
P6494
P8198
P4280
P4568
Atom NH1 of residue 72
P5768
P2134
P6127
P13509
P6342
P4915
P5528
P3646
P1437
P1791
P6878
P4210
P4288
P4980
P3539
P3889
P455
P7562
P2
Atom HA3 of residue 75
P3843
P8651
P3058
P8275
P2856
P3854
P7933
P7489
P5995
P0
P1993
P1492
Atom HD13 of residue 67
Atom CG of residue 43
P0
P7711
P2480
P6586
P4279
P3387
Atom HD3 of residue 19
P4731
Atom HG2 of residue 62
Atom HD13 of residue 67
P5703
P7716
Atom CD1 of residue 43
P8199
P4440
P1687
P7779
Atom HB2 of residue 57
P1493
P5396
Atom CD of residue 45
P1447
P6264
P2470
P8253
P3454
P2257
P6740
P6980
P6334
P3545
P2644
P5769
P6858
P7004
P2328
P9306
GaussianProcessInterpolationRestraint 13
P4188
P4502
P3820
P7014
P1
P9991
P7642
Atom NH2 of residue 72
P6652
P3239
P13510
Atom CG2 of residue 22
P2822
P7569
P2
Linear1DFunction 9
P11243
P1869
P8558
P6495
P1419
P6521
P1493
P5955
P6128
ListSingletonContainer149
P8276
P7563
P6343
P2845
P4916
P5529
P3647
P6879
P4211
P4289
ListSingletonContainer580
P4981
P3844
GLY
P8652
Atom HD21 of residue 67
P1448
P2857
P7934
Atom CA of residue 20
P3540
P3
P1998
P2135
P1796
P7490
Atom C of residue 56
P456
P4441
P8194
P3890
P4569
P3388
P4732
P3056
P7717
P3546
P6859
Atom CG of residue 75
P6741
P1494
P5397
P4503
P7570
P3824
Atom HG3 of residue 62
P2481
P6265
P1
P6587
P8254
P1513
P3455
P1420
Atom CD2 of residue 43
P33
P5996
P6335
P7643
P2645
P1449
P5704
P7005
P8214
P6981
P4189
GridCPF
P8559
P2471
P7780
P3856
Atom CB of residue 61
P7015
Atom HD23 of residue 67
P3240
P9307
Atom HD13 of residue 13
P2823
P2329
P2258
P9992
Atom H of residue 72
P8196
P6653
P6496
Linear1DFunction 41
Atom HD2 of residue 19
P2034
P6522
P11244
P1870
P3821
P6344
P1514
P2846
P4917
P5530
P3648
P5956
P6880
P4212
P4290
P6129
P13511
P4281
P4982
P7713
Atom O of residue 56
P8653
P5770
P2858
JeffreysRestraint_P1
Atom CG2 of residue 30
P4442
ListSingletonContainer7
P1421
P4570
P7564
P2136
P1797
P8277
Atom CG of residue 62
Atom HA of residue 15
P8195
P7935
P3845
P3541
P7491
P3891
P5705
P2
ScoreState 13
P3389
P4733
P7781
P6864
P4190
P5398
P4504
P6266
P7718
Atom CA of residue 2
P5997
P1515
P6336
Atom C of residue 47
Atom CB of residue 69
P3547
P2646
P1445
P7006
P6588
P9308
P7571
Atom H of residue 9
P2482
P6742
P3857
P6982
Atom CB of residue 9
P35
P6654
P3241
P1495
P2824
P3822
P7016
P8215
P2847
Atom CG of residue 61
P7644
P11245
P8197
P6497
P2472
P3456
P13512
P4987
P5957
P7565
P2259
P1871
P8560
Atom CD of residue 62
Atom CB of residue 56
P6345
P4
P4443
P2330
P4918
P5531
P1415
P3649
P6523
P457
P6881
P4291
P9993
P8278
P5774
P6860
Atom HD2 of residue 4
P6130
Atom N of residue 14
P3846
P8654
P2859
P1794
P7936
P4282
P4571
P4213
P7714
P1446
Atom CD1 of residue 30
Atom OG1 of residue 9
P3390
P4734
P7492
P5998
P2137
Atom O of residue 3
P7719
P6743
ClosePairContainer
Atom CA of residue 61
P3542
P3548
P3892
P5399
P55
Atom C of residue 62
P5706
P6267
P6589
P8210
Atom CG of residue 60
P5771
P1997
P8263
Atom C of residue 23
P7782
P6337
Atom HA of residue 72
P2647
P458
P1510
P2
P4505
P8201
Atom HB2 of residue 21
P3457
P9301
P4197
Atom O of residue 47
P3242
P6983
P1502
P2825
P7572
P3823
P8561
P8201
P2848
P7645
P7017
P2483
P7007
P6498
P3858
Atom HD2 of residue 27
P4988
Atom CA of residue 14
P9994
Atom CG of residue 69
P6655
P6346
P4444
P4919
P5532
P4283
P4572
P3650
P5772
Atom C of residue 4
P6882
P2473
P4214
P4292
P2260
P6524
P11246
P1872
Atom CG of residue 56
P7566
P3847
P1416
P8655
P5958
P2860
P2331
P6131
P7937
P13513
Atom O of residue 62
P1799
Atom HG23 of residue 36
Atom C of residue 61
P7715
P5999
P6861
Atom CA of residue 5
P3391
P4735
P8279
P1511
P3543
Atom HB2 of residue 72
P7493
P5400
P30
P6268
P8211
LEU
P3893
Atom O of residue 33
P2138
P6744
P6338
THR
P1424
P3549
P2648
P7720
Atom CD1 of residue 13
P4506
P7573
P8212
P6656
P7783
P3859
P9302
P4198
P6590
P8255
P3243
P2826
Atom HB3 of residue 21
P459
P8202
P2849
P6984
P1509
UnaryFunction11
P5959
P7008
P6499
Atom CB of residue 98
P3458
P4284
P4573
Atom OD1 of residue 60
P7018
P9995
P7646
Atom NE2 of residue 2
P6347
P4445
P4920
P5533
P13514
Atom HD3 of residue 27
Atom HG3 of residue 33
P4986
P5776
P2484
P6883
P1427
P7716
P1873
P8562
P6862
P1801
P3848
P6525
P11247
P8656
P2861
P2474
P7938
P0
P2261
P3392
P8280
Atom CB of residue 62
P7567
P1721
P4215
P4293
P6132
Atom HB3 of residue 72
P6000
P3825
P2332
Atom HD11 of residue 36
P3651
P4736
P2027
P8199
Atom CB of residue 33
P6591
P1518
P3
P5401
Atom CA of residue 127
P4507
P7494
P6269
JeffreysRestraint_P1
P4195
P3544
P87
Atom CA of residue 41
P7784
P6339
P1500
Atom CD of residue 2
P3550
P2649
P5707
Atom HB2 of residue 40
Atom C of residue 69
P5773
P3894
P7721
P6745
P3860
P3459
P9303
P1428
P4285
CHARMMStereochemistryRestraint3
P2139
P3244
P2827
P8200
Atom CA of residue 15
Covariance1DFunction 4
P8203
P2850
P7647
P2021
P6657
P6500
Atom CG1 of residue 98
P6985
P4574
P7574
P7019
P6863
P460
P7009
P6348
P4446
P4921
P5534
Atom C of residue 14
P5960
Atom CG of residue 62
P6884
P8256
P4294
P9996
P7568
Atom HD2 of residue 33
P8657
P7717
P2862
P3652
P6526
P11248
GLN
P2485
P4216
P8200
P6001
P6133
P13515
P3849
Atom HG22 of residue 23
P2475
P1521
P1501
P3393
Atom ND2 of residue 60
Atom HG2 of residue 72
P4737
Atom CZ of residue 74
P7939
Atom HG2 of residue 18
P2262
P85
P2654
Atom HB3 of residue 40
P2333
P5402
P4508
P1874
P3826
P8281
P6270
P3460
P4196
Atom HD2 of residue 68
P7495
P6746
P6340
Atom C of residue 127
P3551
P7575
P8211
P6592
P9997
Atom CB of residue 3
P3545
P3861
P9304
P1422
P4286
P5708
P7722
P3245
P2828
P2181
P3895
P7785
P2851
P2328
P7010
P6501
P8257
P4575
P8239
P2140
P4105
P6986
Multivariate Normal distribution 13
P6658
Atom N of residue 33
P6349
P8204
P1798
P4447
P4922
P5535
P7020
P1517
P6885
P4217
P4295
P7648
P5775
P13516
P2456
P3850
P8658
P7718
P5961
P2863
P1714
Model 234
P3394
Atom NH2 of residue 74
P5709
Atom CA of residue 19
P6527
P11249
P6002
Atom CB of residue 5
P2675
P8282
P7569
P6134
P31
P2486
P7940
P3653
P3552
P8240
Atom HG22 of residue 22
P5403
P2263
Atom HG3 of residue 72
P4509
P3827
P6865
P6271
P2476
P7786
P4738
P8391
P1516
P6341
P7496
P1518
Atom O of residue 14
P1423
P9998
P0
P5710
P3862
P9305
P4287
P4576
P2330
P4101
P1875
P461
P6593
Atom HG2 of residue 40
P3246
P2829
P3546
P7576
P3896
Atom CA of residue 4
P7723
P6747
P2852
Atom N of residue 44
ListSingletonContainer148
P6659
P6502
Atom CA of residue 3
P4106
Atom CG of residue 11
Atom CB of residue 57
P6350
P8205
P4448
P4923
P5536
P6987
P5962
P7570
P6886
P4218
P7649
Atom CG2 of residue 61
LEU
P7021
Atom O of residue 50
P7011
P2141
P9707
P7719
P2864
P8258
P0
P3461
P2
P3654
P1715
P2457
P3851
P6528
P11250
P3828
P2022
Atom H of residue 74
P462
P4739
P4296
P8392
Atom HZ of residue 45
P6135
P13517
P32
P5711
Atom O of residue 7
P1517
P5404
P4512
P2487
P6272
Atom O of residue 11
P2477
P6748
P7941
P3395
P4102
P2653
P6342
P3553
P6003
P8283
P6594
Atom CB of residue 14
P9999
Atom CA of residue 44
P6866
GLN
Atom OG of residue 57
P0
P7787
P3863
P4288
P2264
P4577
P1876
P5777
Atom NH2 of residue 42
P3247
Atom HD11 of residue 30
P2830
Atom HD11 of residue 61
P3547
GLN
P3897
P2853
P7724
P9309
Atom HZ2 of residue 11
Atom CB of residue 57
P25
P7577
P9711
P6351
P8206
P8259
P4449
P4924
P5537
P3462
P7497
P8241
P6503
P6887
P4219
P4103
P6988
P2305
P3655
P6660
Atom N of residue 67
P4510
P7720
ListSingletonContainer3
P7022
P7012
P2865
P7650
P2028
P7571
P4297
P13518
P5963
Atom N of residue 46
P3852
Chain A
P3829
Atom CG of residue 2
P6529
P11251
P4740
P1510
P1716
P0
P7942
1G6J_MODEL1.pdb
P6004
P8284
Atom HA of residue 74
P2142
P6136
P2458
P5405
Atom CA of residue 62
P463
P6273
P6343
Atom OG of residue 57
P1331
P3554
P5712
JeffreysRestraint_P0
Atom N of residue 58
P10000
P4099
P6867
P2488
P2478
P8393
P6749
P3864
P4289
P4578
P7498
P5778
ASP
P3248
P2831
P3551
P26
P7578
P6661
P7788
P2854
P2265
P3396
P8242
P6595
P9310
Atom HG3 of residue 63
P2015
P7725
P1341
P1877
P3898
P5964
P6352
P8207
P4450
P4925
P5538
Atom H of residue 57
P6504
P6888
P4220
P4104
P7651
P6989
P3463
P2866
P7023
P7013
Atom OG1 of residue 14
P3656
P9684
ListSingletonContainer146
P7721
P1748
P8260
P3853
Atom HG13 of residue 13
Atom HD21 of residue 60
P4511
P6005
P3830
Atom C of residue 62
P7572
P1787
Atom N of residue 32
P4100
P8243
P4298
ALA
P6530
P11252
P5406
P2306
Atom HD3 of residue 72
P6868
P6274
P1511
P1717
P8394
P6137
P13519
P4741
Model 215
P6596
P6344
P3555
Atom CB of residue 74
P2143
P7943
P2459
P3397
P464
P7789
P3865
Atom H of residue 57
P4579
ILE
P7499
P8285
P5779
P5713
P3249
P10001
P2832
Atom HB3 of residue 4
P2489
P6750
P2855
P2266
P28
P2479
P9311
Atom H of residue 31
P4290
P2016
P3595
P1878
P6662
P6353
P8208
P4451
P7726
P4926
P5539
Atom HD2 of residue 63
P7579
P6889
P4221
P8264
P3854
Atom HD22 of residue 60
P7722
Atom HA of residue 57
P5965
P6510
P6990
Atom HE of residue 72
P2089
P7573
P4299
P3464
P3657
Atom HD13 of residue 61
P9685
P7024
P3899
P7014
P1749
P4191
P7652
ListSingletonContainer147
Atom CA of residue 13
P6006
P3831
P2867
P1788
P13520
Atom HG2 of residue 2
Atom O of residue 62
P5407
P3398
P6531
P11253
P6869
P6275
P4742
P4515
P8286
P6138
P6345
P3556
P5714
P2144
P1512
P1718
P8266
P10002
LYS
P6751
P3866
P7944
Atom HA of residue 31
P4291
P4580
P2307
P7580
P6597
P3250
P8395
P2856
P3465
Atom CG2 of residue 14
P2460
P7500
P9312
P3550
Atom HB3 of residue 4
P2017
P7790
Atom HG of residue 57
P2267
P2833
Atom CA of residue 61
P6354
P8209
Atom HG12 of residue 23
P4927
P5540
P4513
P2480
P4226
P4300
P7727
Atom N of residue 62
P1879
P6663
P3855
Atom HD3 of residue 63
Atom HG1 of residue 7
P7723
P2490
P2868
P6511
P8265
P4452
P3399
P1722
P6991
P3658
P9686
P5780
P5966
P4192
P7653
P27
Atom HH11 of residue 72
P7501
P3832
P7025
P7015
P1747
Atom CA of residue 11
Atom HB2 of residue 68
P3900
P6890
P3557
Atom HG22 of residue 13
P7574
P5408
P6870
P6276
P1782
P3466
P6532
P11254
P4743
P2091
P6346
P4363
Atom N of residue 61
P1513
P8396
P6139
P7791
Atom H of residue 14
Atom NZ of residue 27
P10003
P6007
P3408
P2145
P4222
P3867
P4581
Atom HG23 of residue 9
P3251
P7945
P2835
P79
P1724
P2857
P2308
P8287
P5781
P5715
P6598
P4292
Atom HG13 of residue 3
P7581
P2018
P1488
P6752
P6664
P6508
P6355
P4453
Atom HG13 of residue 23
P4107
P4928
P5541
P2461
UnaryFunction9
P2268
P0
P7728
P3856
Atom CG2 of residue 36
P7724
P5967
P7575
P13521
P4514
P1880
P6891
P2481
P8261
P4301
Atom HA of residue 14
P3659
P2834
P9687
P6992
Atom C of residue 90
Atom CD of residue 11
P7502
P3833
P2491
P2869
Model 258
P3400
P7026
P7016
P7654
P3558
P5409
P6008
P6871
P3901
P6277
P3467
GLN
P4744
P1489
Atom HG23 of residue 13
P5716
P6347
P6533
P11255
P80
P6753
P13522
Atom HE2 of residue 27
P10004
P2052
P8288
P1751
P6140
P3868
P4293
P4582
P6599
P8262
P1783
P7792
P2858
P7946
P5782
Atom HD1 of residue 68
Atom CG of residue 1
P6509
P4223
P4108
P2019
P8397
P3252
P4364
P2309
P6356
P4454
P4929
P5542
P7582
P1490
P1514
P4302
Atom H of residue 22
P1621
P2146
Atom O of residue 90
P2870
Restraint 123
Atom H of residue 27
P2462
P2269
P6665
P6892
Atom CD1 of residue 36
Atom HA3 of residue 47
P3660
P9688
P3857
P7655
P7503
P1881
P3834
P7576
P6993
P3401
P1726
P7725
P5968
P2482
P3559
P7027
Restraint 113
Atom HD13 of residue 15
P7017
P13523
P5410
P6009
P6872
P2492
P3902
P6278
P7729
P3468
P4745
P4516
P3339
P6348
P175
P3367
P1720
P1752
P6534
P11256
P4224
P4365
Atom O of residue 22
P4294
P5717
P8398
P6141
P2078
P0
Atom CA of residue 62
P6754
P2859
P5783
P3869
P7947
P4583
P10005
P7583
P2053
P2020
P8212
P7793
P3253
P8289
P6357
P6600
P4930
P5543
ILE
P1483
P8249
P4303
Atom HD12 of residue 13
P1784
P2310
P3661
P2836
P1622
P5969
Atom O of residue 18
Atom HG21 of residue 7
P2871
P3340
P3402
P2147
P7730
Atom HB of residue 14
Atom HB2 of residue 6
Atom N of residue 48
P1727
Atom C of residue 62
P9689
Atom HE1 of residue 68
P6666
Model 20
P1515
P3858
P2270
P7504
P1882
P3835
P2463
P7726
P6893
Model 74
P6994
Atom HD21 of residue 15
P7577
P5411
P6010
P7028
P7018
P6279
P4366
P7656
P4746
P4517
P0
P2483
P8242
P4225
P6349
P1
Atom O of residue 63
P1750
P4455
P3560
P6873
P2493
P6601
P3870
P3469
P4295
P4584
P6535
P11257
P3370
Atom HB3 of residue 68
P3254
P13524
P8290
P8213
P6142
P7794
P2860
Atom CB of residue 18
Atom O of residue 62
P2054
P5784
P1484
P5718
P10006
P2029
P3903
P6755
P2079
P7948
Atom HD13 of residue 36
P6358
P4931
P5544
P3341
P8399
PRO
P3662
P2837
Atom HD22 of residue 43
P3859
P7584
P2872
P2311
P3403
P2148
P7731
P9690
P176
P6667
P5970
P1516
P1785
P2271
P6011
P1883
P3836
P7578
P8243
Atom HG1 of residue 14
P6894
Atom HA2 of residue 47
P7505
P1619
P4456
P2464
P5412
P7727
P6280
P4192
P1754
P3470
P7657
Atom CB of residue 62
P4747
P4518
P7029
P7019
P1
P1
P6350
P13525
Atom HB3 of residue 50
P3561
P6874
P1485
P4304
P4585
P1722
P3369
P2034
P5719
P2484
P3255
Atom CG of residue 50
P6536
P11258
P6359
GaussianProcessInterpolation21
Atom HA of residue 43
P6756
P2861
P2054
P6995
P4367
P7585
P2494
P3342
P6602
P8400
P6143
P1789
P3871
Atom N of residue 37
P2057
P5785
Atom N of residue 69
P5063
P5545
P7949
P10007
ListSingletonContainer221
Atom CD of residue 63
P7795
P4296
P2838
P8291
P4227
P3860
P1497
P3904
P2873
P1519
P8244
CHARMMStereochemistryRestraint0
Atom CA of residue 37
P2312
P3404
P6668
P3663
P9691
P1623
P2272
P7506
P3837
Atom HB3 of residue 48
P7732
P4748
P7728
P5971
P4193
P1755
P6895
P3562
P4457
Atom HG21 of residue 14
P5413
P6012
P1884
P6875
P6281
P2149
P4305
Atom HB2 of residue 43
P6996
P3471
P4519
P7579
P6351
P178
P7030
Model 177
P7020
P3343
P4368
Atom N of residue 29
P2465
P7658
Atom HD12 of residue 50
THR
P3872
P4586
Atom HG of residue 50
P1493
P1521
P7796
P3256
P6360
P7733
P2862
P5064
P1723
P6537
P11259
P5786
P13526
P4297
P10008
Atom HZ2 of residue 11
P3372
P8292
P2485
P6144
P2055
P2495
P5720
P6603
P1790
P5546
P2
P7586
P2023
P6757
P7950
P2839
P2056
P4228
P3861
Atom CD1 of residue 50
P2874
Atom CE of residue 63
P8401
Atom CG of residue 62
P1624
P6669
P3664
P9692
P3905
P5972
P7580
P4458
Atom HG22 of residue 14
P2313
P7507
P3838
P4306
UnaryFunction1
P3405
P6896
P3563
P8245
Atom H of residue 43
P5414
P1324
P6013
P6282
P2150
P6997
P4749
P4520
P1499
P3344
P6352
P2273
P1
P4109
Atom HE2 of residue 1
P7659
P0
P7031
P6876
P5721
P7021
P1522
P3873
P3472
P13527
P4587
P6758
P3257
LYS
P1885
Atom HG2 of residue 48
P7734
P2863
P1724
P5787
Atom HD11 of residue 50
P6604
P4298
P6538
P11260
P7797
P4369
P1328
P7729
P6361
P8402
P6145
P5547
P2466
P3371
P2024
P2056
P2840
P2486
P4229
P5061
P7951
Atom HG23 of residue 14
P3862
P10009
P177
P7587
P2496
P2875
P1753
P4459
P1792
P3406
P8293
Atom O of residue 38
P3665
P0
P3906
P8246
Atom CA of residue 51
P7508
P3839
P6670
P3345
P6897
P4307
Atom CG of residue 52
P2314
P7730
P7581
P5415
Atom CD2 of residue 50
P6014
P5973
P6283
P4521
P1491
P6353
P2274
P9693
P4110
P6998
Atom CD of residue 62
P2055
P6877
P2151
Atom CE1 of residue 4
P3874
P3473
P4588
P1729
P7032
P7022
P3258
P7660
P1886
P1628
Atom HG3 of residue 48
Model 352
P7735
P2864
P10010
P2547
P5788
P5722
Atom HE22 of residue 62
P4299
Atom HG23 of residue 13
P2
P6759
P4370
P6539
P11261
P6362
P4460
P5062
P5548
P13528
Atom HD23 of residue 50
P4750
P7588
P3374
P8294
P2025
Atom CB of residue 38
P1492
P6671
P8247
P6146
P7798
P2057
P3666
P2841
P3564
P2058
P6605
P4230
Atom HB3 of residue 52
P6999
P2876
P3346
P1520
P7952
P2467
P5974
JeffreysRestraint_P0
P2487
P4308
P8403
Atom N of residue 15
P3842
P2497
P3407
P3907
P6898
P9694
P7732
P5416
P172
P6015
P6878
P6284
P3474
P2315
P4522
P7509
P7582
P4
P6354
LEU
Atom CG of residue 6
P4111
P7661
Atom HG2 of residue 24
P3875
P4589
MolecularDynamicsMover3
Atom OD1 of residue 52
P3259
Atom CB of residue 16
P3863
P3840
P7033
P7023
P6606
P7736
Atom H of residue 63
P2865
P13529
P4751
Atom CG of residue 38
P2152
P2275
Atom OE1 of residue 62
P3565
P7799
P5723
P6363
P4461
P5549
P10011
P6540
P2026
P6760
P2058
P4371
P4300
P2842
P1730
P1887
P5789
P4231
P8404
P6147
P7000
P2877
JeffreysRestraint_P1
P5067
P3408
P3373
P1482
P6672
P7953
P3667
P7589
P4309
P8295
P2498
P3347
Atom C of residue 27
P1317
P2468
P11262
P2059
P6899
P2488
P8248
LEU
Atom C of residue 73
P9695
P7733
ModelScoringFunction9
P7583
P5417
P2053
P6016
P3908
P6285
Atom HA of residue 63
P3475
Atom HG21 of residue 66
P4523
P7510
P1625
P6355
P0
P3566
Atom H of residue 15
P4112
P2316
P1483
Atom HD23 of residue 50
P4590
P5975
Atom CB of residue 31
P3260
P3841
Atom HG3 of residue 24
P2866
P7034
P6879
P5724
P7024
Atom H of residue 64
Atom O of residue 52
P3876
P4301
P7662
P7737
P6761
P4372
P4752
P7590
P6364
P6607
P4462
P5550
P2276
P2030
P2153
P3864
P2843
P6541
P11263
P1891
P5790
Atom CB of residue 51
P4310
P7001
P13530
P10012
MD 3
P2878
P3348
P6148
P7800
P5068
P3409
P3668
P4232
Atom CA of residue 107
P7954
P5418
P6017
P1484
P6673
P2059
Atom HG22 of residue 66
P6900
P8405
Atom HA of residue 64
P2054
P3376
P2060
P2499
P5976
P6286
P2489
P2469
P4524
P7731
P2035
P6356
P9696
P103
P3909
P4113
P2317
P1728
P7511
P6880
P7584
P3877
P3476
P4302
P4591
Atom NE2 of residue 62
P8503
P3261
Atom HD11 of residue 3
P7738
Atom NH2 of residue 42
Atom CG of residue 51
Atom CG of residue 31
P7801
P3865
P7663
P7035
Atom CA of residue 36
P7025
Atom NZ of residue 63
P13531
P3567
P6365
P4463
P2867
P5551
Atom CA of residue 41
P10013
Atom N of residue 73
Atom HD12 of residue 36
P2844
P11264
P4753
P5725
P6608
Atom C of residue 107
P5065
P7002
Atom HD22 of residue 8
P6542
P7591
P1478
P2879
P3349
P6762
P4373
Atom HG23 of residue 66
P3410
P5791
P6674
P2154
P8406
P2277
P3669
GaussianProcessInterpolationRestraint 44
P1892
P4233
P4311
P5419
Atom NE of residue 42
P7955
P1
P7585
P0
P6901
Atom CB of residue 4
P2060
P6018
P2061
P3843
Atom C of residue 8
P5977
P6287
P3477
Atom N of residue 63
P4525
P7734
P7512
Atom HB2 of residue 64
Atom HA of residue 36
P6357
P9697
P3375
P2036
P4114
GLN
P2318
P4754
P2500
P8297
P2470
P4303
P4592
P3910
Atom HA of residue 60
P3262
Atom CA of residue 15
P3568
P5726
P1
P7739
Atom HE2 of residue 63
Atom CA of residue 73
P6881
Atom HE2 of residue 29
P2490
P6763
P3878
P8504
P3866
P7036
P1479
P7026
P6366
P6609
P4464
P2868
P5066
P5552
P7664
Atom C of residue 36
P7802
Atom H of residue 1
P3670
Atom H of residue 62
P5792
Atom H of residue 16
P2880
P4374
P6543
P11265
P7003
P13532
Atom C of residue 15
P10014
P2845
P7592
P0
P3844
P3350
P2155
P4234
P3411
P4755
ListSingletonContainer182
P2042
P6902
Atom HB of residue 36
P7956
P7735
P1491
P6675
Atom N of residue 51
P2061
P5420
P2278
P3569
P6019
P6288
P8407
P4526
P7586
Atom HB2 of residue 60
P4312
Atom HD13 of residue 36
P4984
P6358
Atom CA of residue 67
P9698
P5978
P4115
P11266
P1890
P6882
P3879
P3478
P4304
P4593
P3911
P3867
CHARMMStereochemistryRestraint8
Atom HA of residue 62
P7513
P3380
P2062
P2869
Atom HD3 of residue 72
P8505
P2069
P2501
P2471
P7665
P1488
P3263
Atom O of residue 15
P10015
P2319
P104
P6367
P8298
P4465
P5553
P7037
P7027
P2491
P6764
P13533
P3671
Atom HB2 of residue 39
P7004
Atom CD of residue 24
P7593
Atom O of residue 36
Atom HG21 of residue 26
P6676
P2881
P3351
P7803
P3412
P5979
P2158
P6610
Atom HG12 of residue 36
P3868
P2846
P6544
P4375
Atom HB2 of residue 43
P3845
P5793
Atom HB3 of residue 24
P5727
P8408
P7744
Atom CB of residue 15
P4756
P8506
P6903
P4313
P6359
P7957
P5421
P2279
P3570
P6020
P6289
P1343
P4235
Atom HA of residue 25
P4527
P6883
Atom N of residue 1
P0
Atom CG1 of residue 3
Atom HB2 of residue 62
P9699
P4116
Atom CB of residue 60
P8267
P11267
P7736
P2031
P7587
P2156
P3880
P3479
Atom C of residue 41
P4594
P3912
P2062
P4985
P3264
Atom HA of residue 66
P2870
P5554
P7514
P1492
P4376
P4306
P2063
P1
P6611
Atom HB2 of residue 15
P2320
Atom HG22 of residue 26
P6368
P1346
ListSingletonContainer185
P3377
P5794
P2502
P7740
Atom HB of residue 7
P7804
P2472
P1
P2847
P7038
P5728
P7028
P4314
P7005
P3869
P10016
P7666
P2882
P3352
P8268
P4466
Atom H of residue 49
P6765
P8507
P5980
P2492
P3672
Atom CG2 of residue 14
P6545
P6021
P3846
P6677
P4236
P13534
P4305
P3413
Atom HB2 of residue 25
P4757
P7737
P7594
P6904
P6360
P1369
Atom HG2 of residue 24
Atom H of residue 9
P5422
Atom CB of residue 15
P4595
P6290
Atom HG1 of residue 7
P7958
P3480
P4529
P6884
P1485
P7588
P1852
bonded
P9700
Atom HG of residue 43
P4117
P8409
P11268
P3881
P4938
P4377
P2280
Atom HB3 of residue 39
Atom CG of residue 60
P7741
P3265
P8269
P2871
P5555
P2157
P2063
P7515
P2032
Atom H of residue 21
P3378
P8509
P6369
P4467
Atom HA of residue 49
P3913
P6766
P3673
P2848
P5729
P6612
P4315
P7006
P3870
P7667
P4528
P7039
P2064
P7029
P2883
P13535
Linear1DFunction 26
P3414
P5795
Atom H of residue 29
P1486
P2503
P5981
P2473
P10017
P2321
P4237
P7805
Atom HA2 of residue 53
Atom OD2 of residue 21
P3847
Atom O of residue 16
P3353
P1320
P1
P6546
P6905
P2493
P4378
P7595
P6678
P8410
P7742
P5423
P1881
Atom CG of residue 15
P4649
P6022
P6291
Atom HG3 of residue 62
P4758
P7738
ListSingletonContainer184
P6885
Atom HE3 of residue 48
P7959
P6361
P9701
P1375
Atom N of residue 40
P4118
P1
P11269
P3882
P4939
P3481
P2281
Atom HD11 of residue 43
Atom HD3 of residue 6
P8510
P7589
Atom HB2 of residue 49
P2872
P1487
P2033
Atom CG2 of residue 22
P3266
P7516
P3379
P6370
P477
P4468
P7806
P5556
Atom HA of residue 29
P3914
P1832
P4307
Atom CB of residue 24
P2849
Atom CG2 of residue 22
Atom C of residue 36
P4316
P2064
P3871
P8233
P10018
P2884
P3354
Atom C of residue 41
P3415
P5982
P5730
P7030
P6613
P2322
P7668
P3674
P2065
P4238
P6767
P4650
P5796
P2504
P6679
P7007
P3
P4759
Atom HD22 of residue 8
P6906
P2474
Atom HA3 of residue 53
P6547
P7596
Atom HB3 of residue 43
P7746
Model 235
P13536
P5424
P6023
P7590
P6292
P3482
P4530
P1366
P7040
P6886
P2494
P6362
P9702
Atom CB of residue 34
P4119
P7960
Atom HE21 of residue 62
P7739
Atom HZ1 of residue 48
P3883
P4940
P1850
Atom OG1 of residue 9
Atom CE of residue 1
P478
P3267
P8411
P4379
P11270
Atom HG22 of residue 30
P5731
P8270
Atom HB3 of residue 49
P2873
P2282
Atom C of residue 12
Atom HB2 of residue 29
Atom CG of residue 24
P2038
P2159
P1673
P3848
P6371
P4469
P6768
P5557
P1373
P7517
P1833
P2850
P6614
P4239
P4317
P7743
P3872
P7669
P2885
P3355
P7807
Atom O of residue 41
P4308
P5797
Atom CG2 of residue 3
P6907
P2065
P3675
P7041
P2066
P7031
P13537
Atom N of residue 13
P105
P8511
P5983
P7008
P10019
P7597
P4760
P3382
Atom CG of residue 2
Atom N of residue 54
P3915
Atom CG of residue 34
P5425
P6548
Atom HE22 of residue 62
P6024
P2505
P6293
Restraint 124
Atom CB of residue 9
P3483
P4380
P2323
P6887
P6680
P1635
P8412
P6363
P2475
P9703
P4596
P4120
P3416
P11271
P7591
P2495
Atom HD3 of residue 48
P3884
P4941
P7961
P1882
P4531
P3268
Atom HD3 of residue 6
P5732
P2874
Atom O of residue 22
P8252
P479
P2283
Atom CA of residue 36
P6372
P4470
P5558
P4309
Atom CD of residue 24
Atom NZ of residue 27
P6911
Atom CA of residue 41
P10020
P2851
P3676
Atom CG2 of residue 61
P7518
P2041
P2160
P1674
P8274
P4244
P4318
P3873
Atom CA of residue 13
P8512
PRO
P2886
P3356
P6769
P5984
Atom CB of residue 27
P2066
P106
P3849
P7042
P6681
P7808
P6025
P7032
P6615
P7670
P7598
Atom HB of residue 12
P2067
P5798
Atom HG23 of residue 3
P7009
P5426
P3417
THR
P6294
P5
P7745
P4381
ARG
P2324
P6549
P4534
P4761
P6888
Atom CD1 of residue 4
P1636
P6364
P9710
P4597
P3381
P4121
P11272
P2506
P3916
P3885
P4942
P3484
P2177
P1883
P4240
Atom CB of residue 16
P3269
P7962
P2476
P7740
Atom HA of residue 32
P5733
P7592
P2875
Atom HG2 of residue 62
Covariance1DFunction 5
P6912
P2496
P8413
P4310
Multivariate Normal distribution 43
Atom CD of residue 34
Atom CG of residue 54
P6373
P1669
P4471
P5559
Model 115
P2109
Atom HE2 of residue 27
P6616
P2284
P2852
P3850
P480
P4319
P13538
P3874
Atom CG2 of residue 17
P4532
P7519
P5799
P2887
P3357
P7809
P3418
P1
P5985
P8275
Atom CG of residue 27
P10021
P3677
P9704
P7741
P6770
P6026
P2067
P7010
P7671
P7043
P2068
P7033
P1838
P8513
P6682
P2161
P5427
Atom OE1 of residue 24
P7599
Atom HB2 of residue 32
P6295
P4762
Atom H of residue 27
P1632
P6365
P13539
P6550
P4598
P107
Atom H of residue 22
P4122
P4382
Atom HB3 of residue 62
Atom HG22 of residue 3
P11273
P3917
P7593
P3
P3886
P4943
P8414
P3485
P4311
P7742
P3384
P6889
Atom CG of residue 16
P2477
P3851
P2507
P5734
P2876
P7963
P2325
P7044
P8247
P1853
Atom HZ2 of residue 27
P2037
P4241
P0
P3270
P6374
P8271
P4472
P5560
P2
P2497
Atom CD of residue 54
P2285
P2853
P9705
P1670
P4320
P3875
P4533
P2888
P3358
P6910
P6771
P7747
P7520
P7600
P5986
P6617
P3678
P108
P8514
Atom HG22 of residue 30
Atom OE1 of residue 41
P5800
THR
P2068
Atom OE1 of residue 18
P4383
P10022
P3419
P7810
P13540
P7034
P0
P5434
P7672
P1588
P6027
P6296
P8272
P4763
P3852
P6683
P1633
P6366
P7011
P4599
P7746
Atom HD22 of residue 15
P2162
P4123
P6551
P3887
P4312
P3383
P6890
P4242
P3486
P1839
P2069
Atom CH2 of residue 28
P3918
Atom CZ of residue 42
P2877
P7045
P481
P7964
Atom HZ3 of residue 27
P11274
P92
P5735
P7594
P3271
P2478
P2326
P2508
P6375
P4473
P8415
ILE
P5561
P1854
Restraint 74
P2498
P4944
Atom CZ of residue 54
P2286
P1332
P2854
P9706
P7811
P5428
P3876
Atom OE2 of residue 24
Atom NE2 of residue 41
P8248
P2889
P3359
P7748
P3420
P1671
P8273
Atom HG of residue 65
P10023
P3679
P7743
P7521
P4321
Atom OE1 of residue 16
P0
P6618
P5860
Atom HG11 of residue 17
P7673
P7601
P1589
P4764
Atom CB of residue 16
P6772
P6684
Atom HB2 of residue 46
P482
P5987
P6028
Atom CG of residue 8
P7035
P6297
Atom CA of residue 32
P1336
P8515
P6891
P1634
P6367
P4600
P4124
P7012
P2352
P3888
P13541
P4313
P6552
P2069
P3272
P4384
P5801
P5736
P6376
P2163
P5861
P4243
P2878
P8416
Atom CB of residue 42
P3386
P7046
P4945
P11275
P3853
P7965
P3487
P5429
P7595
Atom O of residue 23
P5562
P2070
P3922
P3680
P2855
P9712
Atom N of residue 6
P4322
P6773
P1840
P3877
P1855
P2479
P7744
P4535
P2890
P3360
P4474
Atom HD2 of residue 54
P7749
P2331
P6619
P1672
P2499
Atom N of residue 66
P2287
P7812
P7522
P2509
Atom HG12 of residue 17
Atom H of residue 24
P3421
P8516
P5988
P10024
P7602
P6029
P5802
P6298
P4765
P1310
P7036
P6368
P7674
LYS
P4601
P483
P4125
P2
ARG
P6685
P3889
P7013
P4314
P1635
Atom CB of residue 41
P8250
P3854
P6892
Atom N of residue 2
P3273
P3488
P4385
P6553
P9738
P6377
P5737
P5862
P2879
P1579
P7047
Atom C of residue 32
P4946
P1675
P1638
P5430
P2354
P7745
P3385
P7596
P2164
P8276
P4475
P2070
P7966
P5563
P11276
P3923
Atom CA of residue 66
P2
P2856
Atom HB3 of residue 46
P4323
P8417
P1856
Atom C of residue 30
ListSingletonContainer178
P4536
P2071
Atom HB3 of residue 6
P2891
P3361
P4245
Atom HA of residue 24
P10025
P3422
P3681
P8251
P6774
P1841
P3878
P2480
P3855
P1
P7523
P7603
P6686
Atom N of residue 3
P2500
P7813
Restraint 35
P6620
Atom O of residue 17
P6030
P2510
P6299
P2288
Atom O of residue 25
P4766
P5803
P5989
Atom HE3 of residue 27
P6369
P7675
P4602
Atom HD3 of residue 19
P7037
LEU
P4127
THR
P8517
P3890
P7750
P3489
P4315
P6893
P3274
P7014
P484
P5738
P5863
P1679
P2880
P1637
P6554
P1
P1580
P4386
Atom CA of residue 72
P11277
Atom N of residue 47
P7597
P1639
P8418
P5436
P7048
P6378
P5564
Atom HB2 of residue 24
P2329
Atom N of residue 56
Atom HA of residue 4
P3924
P4947
P7967
P2857
P3388
P8265
P4324
P4126
P2071
P3879
P4537
P2892
P2165
P4477
P4246
P3423
P9708
P91
P8277
Atom O of residue 30
Atom CB of residue 25
P3682
P2072
P7751
P7814
Atom HB3 of residue 65
P6031
P3856
P3363
Atom HZ1 of residue 27
P1857
P10026
P6775
P7524
Atom CA of residue 67
P5990
Atom CB of residue 17
P4387
P2481
P8518
P6300
P6621
P1850
P2289
P4767
P5804
P6687
P2
P2501
P6370
P7604
P4603
P4476
P6
P2511
P7038
P3891
P3491
P4316
Atom C of residue 72
P7676
Atom H of residue 24
P6894
Atom CA of residue 47
P3275
P4538
P3362
P5864
P2881
P7015
Atom HB3 of residue 24
P7049
P3
P6555
P1609
P7598
P5672
P6379
P5565
P5739
P8278
P4948
Atom CG of residue 25
P3683
P2858
P8253
P7968
P3880
P11278
P7747
Atom OE2 of residue 16
P2893
Atom C of residue 67
P4247
P3490
P1631
P9709
P127
P3387
P2072
P8419
P1581
P4325
P1637
P7752
P6776
P4388
P1858
P7605
P3857
P2166
P1851
P3425
P4768
P2073
Atom HG1 of residue 22
P10027
P7525
P6032
P6301
P6622
P7815
P0
P485
P6371
P7677
P7748
P4539
P4604
P1772
P4128
Atom CB of residue 22
P2482
P5805
P6688
P5991
P3892
P4317
P6895
P7039
P2502
P3276
P8519
Atom C of residue 56
P2882
Atom CB of residue 11
P2290
Atom O of residue 72
P3424
P7050
P2512
LEU
P1
P7016
P5679
P8254
P5865
P7
Model 98
P6556
PairPredicate 6
Atom HA of residue 16
P6380
P4478
Atom N of residue 3
P5566
P130
P7599
P5740
P4949
P8420
P5433
P2859
P1610
P4326
P4389
P3881
P2894
P3364
P486
Atom N of residue 67
P4248
Atom HB of residue 14
P7969
P0
Atom HB2 of residue 24
P11279
P9739
Atom HG12 of residue 70
P7816
P7753
P1632
P3684
P1777
P2073
P10028
P4769
P5806
P2074
P5992
Atom CG of residue 2
P1859
P6623
P1842
P7606
P1582
P6033
P3858
P6302
P2167
Model 317
P6777
P7526
P6689
P8279
P6372
Atom HG2 of residue 24
P7749
P4605
P8520
P4129
Atom CA of residue 43
P3893
P4318
P6896
P7600
P3277
P4540
P1773
P5866
P2883
P2483
P7678
Atom ND2 of residue 25
P5
P7051
P1607
P3492
Atom HD12 of residue 71
Atom HG23 of residue 70
P2503
P7017
P4390
P5680
P2291
ListSingletonContainer195
P6381
P1710
Linear1DFunction 42
P5567
P6557
P9741
P2513
P4950
Covariance1DFunction 42
P5673
P2860
P3882
Atom HE1 of residue 1
P7040
P2895
P3365
P5741
P4249
P1730
P3426
P3389
Atom CD of residue 2
P6778
P7970
P11280
LEU
P4327
P7754
P1633
P6034
P3859
P487
P4479
P2074
P8421
Atom C of residue 38
P8280
P7817
P3
P8255
P6624
Atom C of residue 42
P3685
P1583
P2075
P6303
P1860
P126
P4770
P5807
P6897
P1770
P5993
P6373
P2157
P10029
Atom H of residue 25
Atom N of residue 71
P7750
P7527
P7607
P4541
P4606
Atom NE of residue 42
P2168
P1711
P3894
P4319
Atom HG3 of residue 24
P3278
P5674
Atom CA of residue 3
P1309
P6690
P4130
P5867
P2884
P7679
THR
P7041
P8521
P7601
Atom CA of residue 42
P2292
Atom CB of residue 32
P6382
P3493
P5568
P7018
P5681
P2484
P4
P5742
P2504
P4951
P6558
P2861
P7052
P4328
P4391
P3883
P1612
P2896
P4250
Atom N of residue 17
P8422
P3427
P2514
Atom CD1 of residue 15
P8256
P1731
P10030
P1638
P3686
P11281
P9713
LEU
P6035
P3860
P97
P4771
Atom O of residue 38
P7755
Atom HB of residue 22
P6779
Atom HG23 of residue 22
Atom CG2 of residue 36
P4480
P2075
P7608
P3390
P6691
P3366
P6304
P488
Model 353
P7818
P1844
P1861
P6625
P6374
P7751
P4607
P2076
P7971
Atom CG of residue 32
P7528
P5808
P5994
P8281
P1584
P8522
P3279
P5868
P2885
P3494
P0
P1613
P2169
P7042
P3895
P4131
P7680
P4542
P6383
Atom CA of residue 17
P5569
P7602
P4952
P7019
P5682
Atom N of residue 25
P2862
P7053
P4329
P4392
P3884
P6559
Atom CA of residue 71
P2897
P4251
P1727
P2485
P5437
P4320
P6898
P1779
P2505
P2293
P3687
Atom OE1 of residue 16
P5743
P4481
P6626
P7756
P9714
P3861
P7972
P11282
P2515
P7819
Atom CD1 of residue 36
P1704
P8423
P10031
P3391
P6305
P8282
P6780
P1845
P1862
P3428
P4772
P8257
P5809
P5995
P2076
P6375
Atom N of residue 23
P4608
P1306
P3367
P1585
P6036
P6692
P3495
P7752
P7529
P7609
P2077
Atom HE2 of residue 11
P3280
P4546
P2886
P7681
P3896
ASN
P7603
P4132
Atom HG22 of residue 26
Atom C of residue 42
Atom C of residue 71
P6384
P5744
P7043
P5570
Atom OD1 of residue 32
P4321
P8523
P2170
P5869
P4953
P2863
AngleSingletonScore6
P7020
P5683
P3885
P1636
Atom CD2 of residue 68
P2898
P4482
P4252
P5438
P6560
P7054
P4393
P3689
P4543
Atom H of residue 11
P489
P4330
Atom CG of residue 27
P8424
P7757
P9715
P3862
Atom H of residue 36
P7973
P2294
P2486
P8258
Atom OE2 of residue 16
P2506
P6376
P11283
P7610
P3368
P7044
P6627
Atom HA of residue 25
P67
P6037
P6899
P1611
P6306
P1846
P4773
P2516
P1705
P1728
P10032
P7753
P4610
P7820
P3429
P3392
P3897
P2077
P3496
Atom OG1 of residue 14
P3688
P2078
P3281
P6781
P7530
P1586
P5810
P6693
P1
P5996
P8283
P2887
P1863
P8524
P490
P4322
P4133
Atom HG23 of residue 26
Atom O of residue 1
Atom CE1 of residue 68
P6385
P4483
P5571
P40
Atom HZ3 of residue 48
P1349
P5870
P4954
P13229
P7682
P2864
P4544
P4609
P7055
P4394
Atom CA of residue 25
P3886
P5745
P7604
P2899
P4253
P7021
P5684
P5439
Atom OD1 of residue 58
P1774
Atom HB2 of residue 20
P2171
P6561
GeneralizedGuinierPorodFunction 27
P4331
P7758
P9716
P6038
P3863
P6900
P3369
P7821
P2295
P6377
P7045
P7974
P2487
P10033
P3430
P11284
P44
P5811
P6307
P5997
P2507
P3497
P1847
Atom HG21 of residue 5
P4774
Atom N of residue 57
P1706
P6628
P8425
Atom HB2 of residue 25
P7754
P7611
P8284
P6782
P8259
P6694
P2517
Atom C of residue 17
P3898
P4323
P2079
P3282
P1591
P2129
P1729
P2888
P1864
P7531
P7605
P13230
P1615
P4134
Atom HZ of residue 45
P7975
Atom CG of residue 25
P48
P3393
P6386
P4484
P5572
P6901
P491
P4955
P7683
P2865
P4545
Atom N of residue 69
P4332
P3887
P8525
P3370
P2900
P5871
P5440
P8262
P2172
P7022
P5685
SER
P5746
Atom OD2 of residue 58
P6562
P9717
P6039
Atom N of residue 49
P3864
P7056
P4254
P3431
Atom HB of residue 13
P8426
P3690
UnaryFunction21
P7046
P6629
Atom N of residue 58
Atom N of residue 6
P6308
P7759
P7822
P3498
P4395
P11285
P4775
Atom HB3 of residue 20
P1707
P6378
P7755
Atom NE2 of residue 68
P6783
P1848
Atom OD1 of residue 25
P2488
P1592
P5812
P5998
Atom O of residue 17
P2508
P3899
P4324
P10034
Atom HD21 of residue 25
P7612
P3283
P2296
ListSingletonContainer157
P6902
P1775
P2889
P2518
P7532
P4611
P6695
P4135
P8285
Atom N of residue 46
P7976
P8526
P6387
P4485
P5573
P2080
P7606
P5872
P4956
P2866
Atom CA of residue 57
P3394
P4333
P1732
P3888
P1865
Atom HE3 of residue 48
Atom HD12 of residue 15
P3371
P5747
P2901
P4255
P13231
P5441
P7684
P3432
P492
ASP
P7023
P5686
P9718
P6040
P3865
P4396
P6563
P4776
P7057
P2173
Atom HG3 of residue 2
P10035
P6
P7047
P6309
P7760
P3499
Atom C of residue 30
P3691
P42
P6379
P11286
P7613
P1590
P4547
P6696
P7823
P8263
Model 21
Atom HZ3 of residue 29
P6630
P8427
P3904
P4325
Atom HG2 of residue 74
P1614
P8286
P3284
P6784
Atom ND2 of residue 25
P2489
P5813
P1776
P5999
P2890
Atom HD22 of residue 25
P7756
P1708
P1856
P4612
P4136
P1733
P2080
P7977
P7533
Atom HD21 of residue 15
P6388
P4486
P13232
P5574
P2297
Atom CG of residue 58
P2081
P2519
P2509
P4957
P7685
Model 259
P2867
P3395
P3889
P1866
P6903
P7607
P2902
P3372
P4256
P5442
P3433
P8527
P5873
Atom H of residue 45
P9719
P3866
P6785
P3900
P7024
P3243
P1852
Atom CB of residue 12
P5687
P3692
P65
P5748
P6631
P6564
P7058
P7
P6310
P8428
P3500
Atom OD1 of residue 25
P4777
Atom C of residue 57
P2174
Atom HG21 of residue 55
P7048
Atom CZ of residue 4
P6380
Atom H of residue 25
P10036
P7761
P4397
P2
P11287
P1
P6041
P5814
P1780
P6000
Atom N of residue 30
Atom C of residue 46
Atom HG3 of residue 74
P4334
P3285
P4548
P6697
Atom OG1 of residue 9
P2891
Model 75
P7614
P68
P7757
P8260
P1709
P7824
P4326
1G6J_MODEL1.pdb
P4613
Model 51
P4137
P1738
P7978
P6904
P6389
P493
P5874
P4487
P5575
P7534
Atom HD22 of residue 15
Atom CA of residue 67
P2520
P7608
Atom C of residue 58
P8287
P4958
P3693
P2868
P8528
P5749
P2298
P2490
P3890
P2903
P3373
P4257
P1853
P5443
P2510
P2
P13233
P7686
P9720
P2082
P3867
P6786
P3244
P4398
P3434
P3396
P7025
P1867
P5688
Atom HA of residue 45
Model 178
P7049
P6565
ListSingletonContainer166
P6042
P7059
Atom CG2 of residue 9
P6311
Atom CA of residue 30
P7762
Atom H of residue 5
P3901
P3501
P7615
P4778
P1787
P494
P4335
P6632
P6381
Atom HD2 of residue 4
ILE
P1341
P10037
P11288
P6905
Atom C of residue 67
P2175
Atom OG1 of residue 55
P1712
P3286
P7825
Atom OG of residue 50
Atom HD2 of residue 27
P4549
Atom CD of residue 34
P8429
P2892
Covariance1DFunction 79
P8288
P4327
P5815
P6698
P6001
P4138
P7758
P6390
P4488
P5576
P1854
Atom CG of residue 73
Atom HE3 of residue 11
P4959
P7979
P3694
P2869
P7535
P4614
P13234
P3891
Atom HH22 of residue 42
Atom CA of residue 17
P2904
P3374
P5875
P4258
P5444
P3435
P2521
P2299
P5750
P7609
P2491
P7687
P9721
P38
P8261
P2083
P3868
Atom HG21 of residue 26
P6787
P3902
P4779
Atom C of residue 44
P8529
P2511
P7050
P7026
P3157
P5689
P6043
P3397
P6312
P3502
P1868
Atom HB2 of residue 74
Atom HB2 of residue 45
P6566
P7060
P4336
Model 236
P6382
P4399
P10038
Atom N of residue 51
Atom HG2 of residue 6
P5816
P6002
P8430
P6633
ARG
P7616
P6906
Atom N of residue 67
P495
P3287
P7763
P7826
P1858
P11289
P4551
P6699
Atom O of residue 12
P2893
P7759
P4328
Atom HD3 of residue 27
P4615
Atom OE1 of residue 34
P2176
P4139
P7980
Atom N of residue 43
P6391
Atom CG2 of residue 55
P7610
P1713
P4489
P1355
P5577
Atom CD1 of residue 73
P4960
P3695
P2870
P1778
Atom O of residue 25
P3892
P7536
Atom C of residue 17
P2905
P8289
P4259
P5445
P3436
Atom OE2 of residue 18
P8530
P3903
P2300
P5876
P9722
P100
P6044
P3375
Atom HG22 of residue 26
P6788
P2522
P5751
P4337
P2
P0
Atom CA of residue 72
P13235
P7688
P4550
P7051
P2492
P3398
P3869
P6313
P3503
P7027
P5690
P4780
P6907
LEU
P6634
P2512
P6383
P4400
P1859
P6567
P2084
P7061
P3158
Atom HB3 of residue 34
P4329
P3288
P1869
P1629
P5817
P6003
P1714
P7764
P2894
P10039
GaussianProcessInterpolationRestraint 31
P11290
P7617
P3
P7827
Atom CB of residue 25
Atom HD3 of residue 6
P4616
P496
P4140
P8431
P7981
P6392
P8290
P4490
P5578
Atom HB3 of residue 74
P6700
Atom N of residue 18
P4961
P3696
P2871
P7760
Atom HD23 of residue 43
P2177
P4338
Atom CD2 of residue 73
P3893
P7611
P5877
P4260
P5446
P3437
Atom HE2 of residue 11
P7537
P13236
P5752
P7689
P9723
P2906
P3376
P2301
MovedSingletonContainer8
P7828
P6789
P1630
P6045
P3870
P8531
P6314
Atom HD23 of residue 71
P3504
P10040
P4781
P6908
Atom HH12 of residue 42
P2523
P7028
P6384
P5691
P2085
Atom OE1 of residue 49
P3159
Atom C of residue 25
P2493
P6568
P4554
P7062
Atom C of residue 6
P7052
P4401
P4330
P7618
P6701
Atom HB of residue 30
P2513
P8432
P3905
P3289
P7761
P1721
P6635
Atom HA of residue 34
P2895
GLU
P7765
P1855
P1870
Atom C of residue 10
P11291
P4617
P3399
P5818
P6004
P4141
Atom HG of residue 15
P7982
P6393
P4491
P5579
Atom HE2 of residue 6
P4962
P3697
P2872
P0
Atom CB of residue 61
P8264
P2907
P3377
P4261
P5447
P3438
Atom H of residue 73
P4552
P7538
P2178
P7612
P8291
P4339
P3894
P9724
P6046
P3871
P8532
P6790
P5878
P7829
P2302
Atom HA of residue 14
P5753
P6315
P6636
P13237
P7690
P4782
Atom HG2 of residue 2
P1419
Atom HG12 of residue 30
P6385
P7029
P3160
P5692
P497
P7053
P3
LYS
P3505
P4331
P10041
P6569
P7063
P6909
P2524
P3906
P3290
P5819
P6005
P2896
P2494
P1857
P1871
P4618
P2086
P6702
P4142
P2514
P7766
P11292
P7762
P7619
P6394
P4492
P5580
P41
P8433
P1327
P4963
P4402
P3698
Atom O of residue 21
P5879
P8292
P3895
P1626
P3400
P7613
P2908
P4262
Atom N of residue 112
P7983
P5448
P3439
P1420
P5754
Atom CB of residue 49
P2873
P4553
P498
P4340
P9725
Atom HG3 of residue 19
P7539
P3872
P3378
P6791
P13238
Atom CG of residue 27
P1584
Atom HG13 of residue 30
P2179
P7830
P6047
P6316
P3506
P7691
P6910
P6386
P2303
P8533
P7620
P6637
P7030
P4332
P5693
P4783
P3907
P3291
Atom HD11 of residue 30
P6570
P7064
P7054
Atom CG of residue 49
P2897
P3161
P4403
Atom HG3 of residue 38
P10042
Atom HA of residue 6
P1421
P8434
P1849
P4619
P2087
P2525
P4143
P2495
Atom HB2 of residue 15
P6395
P4493
ARG
P7767
P5581
P1872
Atom CB of residue 31
P11293
P5820
P6703
P6006
PairsRestraint 10
P4964
P3699
P7763
P1343
Atom CB of residue 21
P2515
P4341
P3401
Atom N of residue 43
P2909
P4263
Atom C of residue 27
P7984
P5449
P3440
ListSingletonContainer177
P1585
Atom HD3 of residue 54
P2874
P5880
P3896
P9726
P8298
P3379
P6792
P7540
P5755
P7614
Atom HA of residue 11
P8293
P1627
Atom HD2 of residue 19
P8534
P499
P7831
P6048
P3873
P1414
P6317
P4404
Atom CG1 of residue 61
P4784
P1345
P6387
P2180
P13239
P3163
P7692
P4558
P7055
P3507
P4333
P2304
P10043
P5821
P6911
P6007
P3908
P3292
P7031
P4
P5694
P6638
P2898
P6571
P7621
P7065
Atom HA3 of residue 10
P4620
P6704
P4144
Atom HD2 of residue 38
Atom O of residue 4
P7764
P6396
P4494
P5582
P1873
Restraint 75
P2088
P7768
P4965
P2875
P11294
Atom HE21 of residue 2
P2526
Atom HB2 of residue 59
P7615
P4342
P3162
P2496
P3897
P8266
P2910
P4264
P8435
P5450
P3441
P8294
P3700
P89
P3402
LEU
Atom HA of residue 21
P2516
P7985
P9727
P6049
P3874
P1415
P3380
P6318
Atom HE of residue 54
Atom HD3 of residue 42
P5881
phys
P1633
P4555
P7541
Atom HA of residue 18
GaussianProcessInterpolation26
Atom HB2 of residue 31
P13240
Atom CG of residue 31
P5756
P7693
P6912
P7832
P6793
P6388
P1581
P500
Atom CG2 of residue 61
P6639
P3508
P4334
P2305
P8535
Model 300
P3909
P3293
P4785
P2181
Model 318
P2899
P7032
P5695
P6572
P93
P4621
Atom CD of residue 42
P7066
P5822
P6008
P7056
P4145
P4405
Covariance1DFunction 62
P10044
P7622
P8267
P6397
Atom C of residue 64
P4495
P8436
P5583
P2092
Atom C of residue 41
P4966
Atom HD3 of residue 38
P3701
P2876
Atom HB2 of residue 21
P1
P4343
P7769
P11295
P1416
P6705
P3381
P4265
P7986
P5451
P3442
P7765
Atom HB3 of residue 59
P2527
P7616
P5882
Atom HD13 of residue 30
P2497
Atom CD of residue 31
P9728
P6050
P3875
P2911
P6319
P90
P3403
Atom C of residue 43
P5757
P2517
P1874
Atom HD13 of residue 73
P1636
P4556
P7833
P7542
P8295
P8536
P6913
Atom HB2 of residue 18
Atom HB3 of residue 31
P6794
P6389
P4786
P1424
P10045
P3509
P4335
P2306
Atom CD of residue 18
Atom O of residue 41
Atom HG22 of residue 9
P3910
P3294
P13241
P4406
P3898
P7694
P2900
P7623
P1587
P6706
P7033
P5696
P4622
P7766
P2182
P4146
P6640
P3164
Atom O of residue 96
P6573
P7067
P7057
P6398
P5584
P1603
P5823
P6009
P4967
P3702
P2877
P1429
Atom O of residue 64
P4344
Atom OE1 of residue 31
P2912
P4496
P4266
P7770
P5452
P3443
P11296
P1631
P8268
P8437
P2498
P9729
Model 128
P6051
P3876
P3382
P8296
Model 310
P7617
P0
P7987
Atom N of residue 31
P88
P4787
P4557
Atom OE2 of residue 18
P2528
P7834
Atom HB of residue 36
P3404
P6320
P5883
Atom HG23 of residue 44
Atom HH12 of residue 42
P7543
Atom HZ1 of residue 27
P6914
P2518
P13242
P6390
P3899
Atom HD23 of residue 73
Atom HA of residue 59
P5758
P6641
P1875
P6795
P3510
P1430
Atom HD3 of residue 19
P3911
P3295
P7695
P2901
P2090
P8537
Atom CA of residue 41
P4337
P4623
P5824
P6010
P4147
P7034
P3165
Atom CB of residue 96
P5697
Atom NE2 of residue 31
Atom H of residue 26
P6399
P5585
P2307
P6574
P7068
P6707
P7058
P4968
P4407
P3703
P2878
P7767
P7624
P8269
P2183
P8438
P4655
P2913
P3383
P4497
P4267
P5453
P10046
P3444
P1632
P5884
P11297
P1588
P7618
P4345
Atom HG21 of residue 5
P9730
P6052
P3877
P1607
P3900
P4336
Atom HH21 of residue 42
Atom CB of residue 64
P4788
P7835
P7988
Atom HB2 of residue 42
P2499
P76
P3405
P6321
Atom C of residue 8
P0
GaussianProcessInterpolation46
Atom HD12 of residue 73
Atom HB2 of residue 8
P6915
P7771
P6796
P6391
Atom HG12 of residue 36
P7544
P2529
Atom HD11 of residue 44
P1876
P8538
P5759
P3511
P4559
P2519
P3912
P3296
P4408
P7625
P6642
P2902
Atom N of residue 20
P13243
P7696
P4624
Atom C of residue 62
P4148
P3166
P10047
P6400
P4498
P5586
P7035
P5698
P2308
P4656
P1422
P4969
P2879
P6575
P7069
P7059
P4346
P3901
P5825
P6708
P6011
P2914
P3384
P4268
P5454
P3445
P7768
P3409
P2184
P7772
Atom CA of residue 44
P11298
P9731
P6053
Atom HA of residue 26
P8270
P5885
P8439
P3704
P4789
P3878
P7619
P6322
Atom CG of residue 64
P7989
P6916
P1609
P6392
Atom HA of residue 36
Atom CB of residue 13
P1
P2500
P7545
P5760
P7836
P13244
P3512
P4560
Atom O of residue 62
Atom NZ of residue 6
P2530
P1563
P2520
P3913
P3297
P7697
P6797
P5826
P6012
P1877
Atom N of residue 32
P4625
P4149
P6643
P3167
P10048
P7626
P8539
P1423
P6401
P4499
P2903
P5587
P4657
P1586
P6709
P4970
P7036
P1348
P4338
P5699
P2880
P7769
P4347
P7070
P7060
P2915
P4269
P4409
P5455
P3446
P0
P8271
P7620
P8440
P3705
P7773
Atom C of residue 44
P2309
P9732
P6058
P3410
P3386
P11299
P1604
Atom H of residue 31
P4790
P3902
Atom HH12 of residue 42
P6576
P3879
Atom HG21 of residue 22
P6323
P5886
P6798
P6917
P2185
P7990
P6393
P5761
Atom HZ of residue 4
P7837
P3513
P7546
P1611
P3298
Atom C of residue 1
P8540
P3385
P6644
P2501
Atom HG12 of residue 13
P1564
P1878
P4561
P4626
P2531
P4150
Atom O of residue 19
P2521
P3914
P3168
P6054
P6402
P4500
P2904
P13245
P5588
Atom CB of residue 52
P7698
P4658
P5827
P6013
P8299
P4971
P10049
P2881
P7627
P7037
P5700
P2916
P4410
Atom O of residue 61
P5456
P4339
P6577
P7071
P7061
Atom N of residue 8
Atom HA of residue 31
P6710
P4348
ILE
P2310
P9733
P81
P7770
P3407
P3880
P4270
P0
P3447
Atom CB of residue 62
P7621
P5887
P7774
P3706
P11300
P4791
P8272
Atom HG22 of residue 22
P6324
P8441
Atom HG3 of residue 31
P6918
P6394
P3903
VAL
P5762
P7991
P10050
P6799
P3514
P2186
P3915
P3299
P7547
P1605
P2905
P13246
Atom CG of residue 52
P7699
P8300
P7775
P1628
P4562
P4627
Atom C of residue 38
P4151
P3169
Atom HG13 of residue 13
P7628
P6711
P6403
P4501
P5589
P2502
P1879
P4340
P4659
P2532
Atom HG22 of residue 17
P6645
P4972
P2882
P8541
P1557
P2522
P4349
P6055
P5828
P6014
P2917
P3387
P7038
P5457
P5701
P6578
P3707
Atom HB3 of residue 59
P7072
P1613
P7062
P4411
P9734
P3881
P8273
P4271
P8442
P3448
P7771
P3904
P82
Atom C of residue 2
P11301
P7548
P7622
P6325
Atom CD of residue 16
P3515
P1356
P6919
P6395
Atom CA of residue 31
P2311
P4792
P5888
P10051
GLY
P1609
P7992
GaussianProcessInterpolationRestraint 14
P4341
P4563
P5763
P6646
Atom CB of residue 34
P7838
P6800
P2906
Atom CG of residue 62
Atom HB3 of residue 2
Atom CA of residue 18
P7776
P1629
P1
P4628
P8542
P2187
P4152
P3916
P3300
P3170
Atom HE22 of residue 31
P6056
P6404
P4502
P5590
P4412
Atom HE21 of residue 31
P4660
P6015
P4973
P3708
P2883
P4350
P13247
P3905
P1880
P7700
P6712
Covariance1DFunction 8
P2918
P4272
P2503
P5458
P3449
P7629
P2533
VAL
P7039
P5702
P1558
P2523
Atom OD1 of residue 52
P6579
P3882
P7073
P7063
Atom OE1 of residue 16
P5889
Atom HD1 of residue 59
P7772
P5854
Atom N of residue 38
P7623
P8365
P5764
Atom HE1 of residue 1
P3388
P6326
P3516
Atom HD11 of residue 3
P11302
P6920
P0
P6396
P4793
P8274
P8443
P10052
P9735
Atom HE3 of residue 63
P7549
Atom HG2 of residue 11
P6801
Atom C of residue 31
P4342
P2312
P3917
P7993
P6580
Atom CG of residue 34
P2907
P6057
P7777
VAL
ListSingletonContainer153
P4564
P4629
P7630
P4153
P6647
P7839
P3301
P13248
P3171
Atom H of residue 18
P6405
P4503
Linear1DFunction 43
P5591
P2406
P4661
P4974
P1885
P2884
Atom CD of residue 62
P2188
P4351
P3906
P2919
P3450
P8543
P1610
P1625
P3709
P6908
P6713
P6016
P2504
P5703
P7701
P7773
P3883
P2534
P4273
Atom C of residue 109
Atom HB2 of residue 42
P7074
P7064
P7840
P4413
P8275
P1559
P2524
P8444
P9736
P1608
Atom HD21 of residue 8
P6327
P5890
P8366
P5459
Atom OE1 of residue 35
Atom HZ1 of residue 63
P6921
P1
GeneralizedGuinierPorodFunction 10
P6397
Atom OD2 of residue 52
P11303
P4794
P1
P5765
P7624
P3389
P7040
P10053
Atom HA of residue 18
Atom H of residue 59
P3517
P4343
P2407
P3302
P6581
Atom CG2 of residue 9
P2908
P7994
Atom HG22 of residue 17
Model 354
P7778
P7841
P4565
P4630
Atom OE1 of residue 62
Atom CD of residue 34
P1614
P4154
P6802
P3172
P2313
P6017
P6406
P5592
GLN
P8544
P6648
P4975
P1917
Atom CD1 of residue 8
P2885
ListSingletonContainer154
P7631
P6909
P1351
P3907
Atom HE21 of residue 31
P7550
P6714
P2920
P4504
P4274
P4662
P2537
Restraint 36
P0
P2189
P13249
P7702
GaussianProcessInterpolation63
P0
P3711
Atom HG22 of residue 22
P4352
P9737
P7774
P3884
P7625
P1626
P7041
P5460
P5704
P3451
P1345
P6059
Atom NE of residue 128
P3918
P4414
P7075
P7065
P3390
P2505
P6328
P3518
P6922
P6398
P4795
P5891
P2525
Atom HH22 of residue 54
P7842
P6803
P11304
ListSingletonContainer155
Atom HZ2 of residue 63
THR
P2535
P4344
P3710
P4566
P8276
P1560
P5766
P1352
P8363
P8445
P3303
P10054
P6582
P1616
P2909
P1348
Restraint 589
P7551
P7995
P4631
Atom HD1 of residue 4
P4155
P6649
P3173
Atom HG2 of residue 27
P6407
P4505
P7779
P5593
Atom HG23 of residue 5
P2408
Atom HG12 of residue 13
P4663
P4976
P13250
P2886
P4353
P3908
Atom HG2 of residue 27
P6018
P2921
P4275
ScoreState 14
P2314
P3452
P7632
P3919
P1529
P8364
Atom HB2 of residue 31
P9742
P3885
P8545
MD 17
P3391
Atom CA of residue 6
Atom N of residue 55
P7042
P5461
P1884
Atom HD2 of residue 42
P46
P6060
P6853
P6715
P2190
Atom HG23 of residue 30
P5705
P7703
P4796
P7775
P6
P13542
P7076
P7066
P7626
P6329
P5892
Atom CZ of residue 128
P3519
P4415
P8277
P6923
Atom HB3 of residue 64
P8446
P6399
P5767
P1627
P2506
P10055
Atom NE2 of residue 62
P4345
P11305
Atom CA of residue 4
P3304
P1505
P6583
P2526
P7843
P6804
P2910
P43
Atom HG3 of residue 27
P2536
P1561
P7780
P4632
P7552
P4156
P3174
P7996
P13543
Atom CD2 of residue 4
P6408
P4506
P3920
P5594
P2409
P4977
Atom HG3 of residue 27
P2887
P7633
P6716
P8447
P3909
P1530
P7776
P8546
P2922
P3392
P6650
Atom CA of residue 55
P3453
P4664
Atom CA of residue 28
P8301
Atom O of residue 16
P6854
P6019
P4354
P2315
P9743
ListSingletonContainer156
P3886
P13251
P7704
P4567
Atom CD2 of residue 45
P6061
Atom H of residue 10
Atom HG2 of residue 64
P4416
P1578
P3712
P4797
P2
P7043
P5706
P1
Atom HB3 of residue 31
P3
P6330
P1506
P5462
P7077
Atom NE2 of residue 41
P0
P1612
P7067
P2191
P6400
P7627
Atom NH1 of residue 128
P10056
P7
P4346
Atom CB of residue 9
P6924
P5893
P3305
P13544
P2507
P11306
Atom N of residue 63
P4276
THR
P2911
P8278
P1562
P5768
P6651
P7781
P6584
P83
P4633
P7553
P2719
ListSingletonContainer585
P4157
P7844
P6805
P7044
P3175
Atom CB of residue 16
P6409
P2527
P4507
P5595
P7997
P2410
P8302
P4978
P2888
P3921
P1633
P3910
P6020
P2923
P13252
P3520
Atom HD12 of residue 44
P3454
P4568
P4665
Atom C of residue 28
Atom HG3 of residue 64
P6855
P6717
P4355
P7777
P7634
Atom H of residue 62
P3887
P3393
P6062
Atom HB2 of residue 41
P2316
P9740
Atom OG1 of residue 9
P4798
P8547
Atom HE22 of residue 2
P5894
P1526
GridCPF
P7628
P6331
Model 237
P5463
P7705
P3713
P6925
P5769
P2192
P1
P6401
Atom HG2 of residue 31
P7078
P7068
P4277
P2360
P4417
P10057
UnaryFunction36
P8279
P4347
Atom HA of residue 44
P1566
P3306
P6585
P7845
P6806
P2912
P1579
P11307
Atom CE2 of residue 45
Covariance1DFunction 38
P7782
Atom HA of residue 24
P5710
P4634
Atom HB of residue 9
P2538
P4158
P5
P7045
P3176
P1583
P2508
P2411
P4569
P6410
P4508
P5596
P3521
Atom HA of residue 42
ListSingletonContainer175
P7554
P7635
Atom H of residue 36
P6652
Atom N of residue 65
P4979
P7998
P2889
Atom HB3 of residue 8
Atom O of residue 26
P4356
P1497
P3911
P2748
P2924
P3394
P2528
P4666
P3922
P8548
P6856
Atom HB3 of residue 41
P1356
P3
Atom CE1 of residue 45
P3888
P8303
P3714
P3455
Atom HA of residue 62
P6718
P6021
P4278
P2
P4799
P7778
PairPredicate 2
P1
P1630
P13253
Multivariate Normal distribution 14
P7706
P2
P6332
P5464
P5707
P2317
P0
P6063
P6926
Atom CB of residue 17
P6402
Atom HG12 of residue 44
P8690
P1778
P4418
P1576
P7079
P7069
P2361
Atom CG of residue 16
P4348
Atom O of residue 43
Atom HG3 of residue 31
P2089
P7555
P7629
P2193
P3307
P1585
P1527
P6586
P2913
P10058
P11308
P5
P4635
P7046
P3177
P8280
P6411
P5895
Atom HB2 of residue 24
P5597
P3522
P4667
P7846
P6807
P3923
P4980
P2429
P3715
P2890
P4570
P2539
P6022
P5770
P4159
P3
P7783
P7999
P3912
Atom HD12 of residue 36
P2925
P3395
P6653
P8304
P4509
P3456
P7636
Atom HB2 of residue 62
P1498
P5708
Atom CB of residue 26
P6857
ClosePairContainer
P6719
Atom CE of residue 6
P4357
P13254
P2509
Atom C of residue 7
P7779
P3889
P2529
Atom CG1 of residue 17
Atom HG13 of residue 44
P4800
P7630
P1631
P1532
P8691
P1779
P6333
P4279
P5465
P2318
P47
P6064
P8549
P6403
Atom HG23 of residue 13
MD 14
P7707
P4349
P7080
P7070
P5896
P7847
P6808
P3308
P4419
P6587
P2084
P3
P8281
P2914
P5598
P3523
P2362
P10059
P4636
P7556
P8233
P6927
P2194
P4160
P3924
P7047
P3178
P1590
P1580
P5709
P11309
P2720
P6412
P2430
P5774
P6654
P4981
P3716
P2891
P39
Atom HG22 of residue 26
P7784
P3913
P1565
P2926
P4510
P8000
Atom CD of residue 16
Atom SD of residue 1
P4571
P4668
P2177
Atom C of residue 68
P1499
P6858
P2540
P6023
P4358
P7637
P3890
Atom CB of residue 12
P3396
Atom HE2 of residue 1
P3457
P8550
Atom H of residue 22
P4801
P2530
P8305
P2510
P8692
P4
P6720
P5771
P6334
P5466
Atom NE of residue 42
P7780
P6065
Atom CA of residue 16
P13255
P6404
P7708
P7631
P4280
Atom CA of residue 2
P4420
P2319
Atom HB3 of residue 62
Atom O of residue 16
P3524
P4350
P1533
P6928
SER
P5897
P3925
P3309
Atom O of residue 4
P2085
P7081
P7071
Atom O of residue 68
P2915
P5599
Atom C of residue 3
P1584
ScoreState 31
P7848
P6809
P3179
P1773
P5772
P6413
Model 319
P4511
P0
P10060
P6588
P11310
P4572
P7557
P2363
P4982
P7048
P3717
P2892
P74
P4637
P2721
P8282
Atom HG23 of residue 26
P2195
P4161
P3914
P2927
Atom OE1 of residue 16
P2412
P7638
P4669
P6721
Atom CD of residue 37
Atom HG12 of residue 17
P7785
GLU
P8001
P7781
P6859
P6655
P8306
P3891
P3397
P3458
Atom HA of residue 9
P6024
P13256
Atom HD13 of residue 13
P2541
P2235
P4281
P4359
P8693
Atom HG2 of residue 62
P6335
P5467
GLN
P6066
P6405
P2531
P5432
P1500
P2511
P4802
P8551
GLN
Atom CB of residue 68
P3525
P6929
P7632
P3926
P3310
P1581
P2320
P7712
P2086
P2916
P7082
P7072
P5898
P4988
P4421
P1591
Atom OE2 of residue 16
P4351
P10061
P1531
P4573
P7558
P8283
P4162
P7049
P3180
P1774
P5776
P6414
P6656
P4512
Atom HD13 of residue 56
P5600
P6589
Atom HA of residue 37
P7849
P6810
P5711
P2893
P11311
P73
P4638
P7786
Atom HD22 of residue 50
Atom CD of residue 37
Atom HA of residue 39
P2928
P3398
P4282
P2413
P3459
P2722
P4670
P2196
P2364
P3718
Atom N of residue 14
P6860
P6025
P4360
P8002
P3915
P3892
P2544
P6722
P7782
P7639
P2175
P5899
P1583
P8694
P8552
P6336
P5435
P3526
P5468
P6067
P8307
P6406
P5773
P7633
Atom HA of residue 50
P4989
P13257
P4352
P7709
P4574
Atom O of residue 20
P6930
Atom OE1 of residue 64
P2532
P3927
P3311
P2542
Atom HD21 of residue 56
P2917
P2512
P5712
P4422
P1592
P1501
P2321
P4639
P7083
P7073
P4163
P7850
P6811
P7050
P3181
Atom HG3 of residue 62
Atom HB2 of residue 39
P6415
Atom HB3 of residue 25
P5601
P3719
P2894
Atom O of residue 14
P4361
P3916
P10062
P6590
P11312
P7559
P7640
Atom HB2 of residue 37
P2929
P6657
Atom CG of residue 68
P4513
P4283
P2414
P4671
P8284
Atom HA of residue 37
P6861
P1775
P2153
P2723
P3893
Atom C of residue 31
P3399
P2197
P2365
P7787
P8003
P3460
P8308
P5900
P8695
P6723
P6026
P6337
P13258
P3527
P5469
P7783
P6068
P6407
P7710
Atom HG of residue 50
P1584
P4575
Atom CB of residue 20
P5378
Atom HD11 of residue 56
P3928
P3312
Atom HG21 of residue 9
P77
Atom HE21 of residue 62
P8553
P2918
P10063
P7560
P7634
P1313
P1502
P4353
P5713
P2322
P4640
P6931
P4164
P2533
P0
P7051
P3182
P7084
P2543
P7074
P6416
P4514
P4986
P5602
P4423
P2100
P2513
P6591
P8285
P5775
Restraint 51
P3720
P2895
Atom HB3 of residue 39
P4362
P3917
P2238
P2930
P4284
P7851
P6812
Atom H of residue 16
P11313
P4672
P6027
Atom CB of residue 14
P2093
P6862
P1776
Atom HB3 of residue 37
P6658
P7641
P2724
P3894
P3400
P3461
P6724
Atom H of residue 64
P7788
P8004
P7784
Atom CG2 of residue 5
Atom HD22 of residue 67
P5901
P1586
P2415
P8696
P6338
P2198
P2366
P5470
P56
P6069
UnaryFunction20
P7635
Atom HD12 of residue 56
P6408
Atom C of residue 14
P8554
GeneralizedGuinierPorodFunction 40
P8309
P3528
P4576
P6932
P5379
P3929
P3313
Atom C of residue 49
Atom HD11 of residue 50
P2919
P13259
P7711
Atom O of residue 4
Atom N of residue 26
P7852
P6813
P4987
P4424
P4354
P2323
P4641
P4165
P3183
P5714
P6417
P4515
Atom NZ of residue 33
P5603
Atom HA of residue 16
P1503
P10064
P7561
P7085
P7075
P2534
P2896
Atom HA of residue 64
P3918
P2931
P6659
P4285
P7052
P2514
P4673
P3721
P6592
P11314
Atom HE22 of residue 62
P6863
P2725
P8286
P3401
P12999
P6028
Atom C of residue 38
P7642
P5902
P4363
P7789
P8005
P1587
P2416
Atom C of residue 14
P8697
P3895
P6339
P8310
P3529
P5471
P3462
P52
P6070
Atom HG of residue 8
P6409
P6725
P1550
P13260
Atom O of residue 49
Atom HE21 of residue 2
P7785
P2178
P5777
P2367
P4577
P7636
P5380
P3314
P6933
P2920
P7713
P13000
VAL
P2199
P4642
P8555
P1782
P4166
P2537
P3930
Restraint 114
P6418
P5604
P5715
P2545
P7853
P6814
P4355
P2897
Atom CA of residue 5
P1334
P7086
ALA
Atom NE2 of residue 40
P7076
Atom HE2 of residue 33
P3184
P4425
Atom HB2 of residue 16
P3919
P10065
P7562
P8287
P2932
P4286
P7053
P1509
P2324
P4674
Atom O of residue 58
P3722
P6864
P4364
P6593
P7643
P3896
P13001
P6726
P3402
Restraint 5
P2515
P3463
P7786
P6071
P6660
P2535
Atom O of residue 38
LYS
P1588
P8698
P2726
P6029
P6340
P1551
P7790
P8006
P5472
P5903
P6410
Atom CA of residue 49
ListSingletonContainer160
P6934
P1783
P4516
Atom H of residue 33
P11315
P5778
P2368
P3530
Model 260
P4578
P8556
P5381
P3931
P3315
P2417
P13002
P8311
P2921
P6
P2181
P7637
P4356
P4643
MolecularDynamicsMover4
P4167
P13261
Atom HB3 of residue 16
P7714
P6419
P5605
P10066
P7563
P4675
P2200
P5716
Atom CB of residue 58
P3723
P2898
P6661
P3185
P4426
P7087
P7077
P2933
P3403
P4287
P4365
P7854
P6815
P2325
P3464
THR
Atom C of residue 28
P6865
P13003
P1780
P7054
P3897
SER
P6594
P11316
P6030
Atom CB of residue 38
ListSingletonContainer158
P8288
Atom HE3 of residue 6
P5904
P1589
P3920
P8699
P6727
P6341
Atom HG3 of residue 11
P3531
P2516
P5473
P7
P7787
P7644
P6072
P2536
P7791
P8007
P6411
P6935
ModelScoringFunction10
P8312
P2094
Atom CA of residue 27
P5779
P4579
P13004
P7638
P5382
P3932
P3316
P13262
Atom HG2 of residue 16
P2727
Atom H of residue 40
P4517
P2922
P1461
P2369
P2418
P4644
Atom C of residue 50
P4168
P3186
P7715
P2180
P6420
P5606
P1507
P4676
P8557
P7855
P6816
P4357
P3724
P2899
LYS
P1548
P5717
Atom HB3 of residue 67
P2934
P4288
P7055
P3465
P4
P7088
P13005
P7078
P2201
Model 76
P4427
P10067
Atom OG1 of residue 7
P7564
P7645
P8289
P6866
P1781
ModelScoringFunction20
P6662
P1596
P3924
P3404
P4367
P11317
P5095
P6595
P5905
P1462
P2326
P8700
Atom HA of residue 40
P6342
P5474
P6073
Atom CA of residue 20
Atom HD23 of residue 8
P6412
P53
P6031
P4518
P7792
P8008
P2517
Atom C of residue 58
P7788
LEU
P13006
MD 4
P1552
P3532
Covariance1DFunction 92
P4580
P5383
P3933
P3317
P3921
P4366
P2923
Atom HA of residue 33
P8558
P1508
P4358
P4645
P2728
P4169
P8313
P0
P3187
Atom HG3 of residue 16
P10068
P7565
P3898
P6728
P7639
P6421
P5607
P2419
Atom O of residue 50
Atom HA3 of residue 76
P2370
P13263
P7716
P2900
ListSingletonContainer163
P2183
P4428
P1599
Atom CB of residue 5
P13007
Model 179
P2935
P1553
P1463
P5718
P4677
Atom CG1 of residue 23
P5780
P3725
Atom HG of residue 67
P7089
P6867
P6936
P7079
P7856
P6817
THR
Atom CA of residue 63
P6032
P3405
P4289
Model 56
P3466
P6074
P2202
P6663
P5120
P7056
P7646
P5906
P2327
P6596
P11318
P8701
P6343
P4519
P5475
P7789
P8290
Atom CB of residue 21
P6413
P3922
P13008
P2538
P6729
P7640
P7793
P8009
P3533
Atom HB2 of residue 33
P8314
P5384
P3318
P2090
Atom C of residue 63
P3899
P5781
P2924
P2518
P134
Atom CB of residue 6
Atom HE1 of residue 1
Atom OE2 of residue 16
P1554
P13264
P1447
P4359
P4581
P4646
P4170
P3188
P7717
Atom HA3 of residue 10
P11319
P6422
P1472
P7857
P6818
P5608
P2729
Atom OG1 of residue 66
Atom N of residue 17
P3726
P2901
P13009
Atom CB of residue 50
P3934
P10069
P2420
P7566
P8559
P2936
P4290
P4368
P4678
P2182
P5124
P2371
P5719
Atom HD11 of residue 67
P6868
LEU
P6664
P7090
Atom CG2 of residue 23
P7080
P3406
P4429
P1459
P3467
P8291
P1594
P7057
P8243
P8702
Atom C of residue 119
P6033
P6344
P4520
P3534
P5476
P6597
P7647
P3900
GLY
P13010
P6937
P2203
P6414
P3923
Atom O of residue 63
LYS
P5907
P4360
Atom CA of residue 8
P4582
P6730
P5385
P7794
P3319
P8010
P2328
P2091
P7790
P5782
P2539
P2925
Atom HE of residue 74
Atom C of residue 76
P7641
P4647
P8292
P4171
P3189
P11320
P8560
P6423
P5609
P1460
P2519
ListSingletonContainer200
P6075
P2730
P13011
P8315
P2902
P4521
P3935
P2937
P3407
P4291
P7858
P6819
P13265
P7718
P4679
Atom CG2 of residue 55
P1474
P1595
P10070
P3727
P7567
P6869
P5720
P8244
P1209
Atom CB of residue 63
P3901
P2185
Atom H of residue 11
P1555
P2372
P4430
P2421
Atom CA of residue 11
P7091
P7081
P7648
P8703
P7791
P13012
Atom N of residue 59
P6345
P6665
P5096
P4369
P7058
P5477
Atom CD of residue 16
P3468
P6938
Atom HH11 of residue 74
Atom CG2 of residue 66
P6415
P6598
P6034
Atom O of residue 76
P2204
P5908
P3535
P2128
P4583
P6731
P5386
P3320
P2329
P2162
P69
P5783
P7795
P2926
P8011
P8316
P4361
P4648
Atom O of residue 19
Atom HB of residue 14
P4172
P1464
P3936
P3190
P11321
P13013
Atom N of residue 8
P7642
P6424
P2540
P13266
P5610
VAL
P1445
P2520
Atom CG of residue 28
P4680
P3728
P2903
Atom CD1 of residue 59
P4522
P10071
P1210
Atom CE of residue 6
P7568
P2938
P3408
Atom HA of residue 11
P4292
P7719
P2046
P8561
P6870
P6939
P7859
P6820
P3925
P6076
P5721
P3469
P2422
P2731
P7092
P13014
P2184
P7082
P2373
P4431
P2182
P8704
Atom N of residue 75
P6035
P6346
P5097
P5478
P6666
Atom H of residue 66
P7059
P6416
P8240
P1211
P8293
P4370
P1446
P6599
P7792
P7649
P3902
P3536
P4362
Atom C of residue 11
P4584
P1
P5387
P1465
P3937
P3321
Atom HE3 of residue 6
Restraint 120
P5784
P5909
P2927
Atom CG of residue 38
P58
P6732
P7643
P2205
P7796
P8012
P4653
P13015
P4173
P3191
ListSingletonContainer578
P11322
P6425
P5611
P4681
Atom CB of residue 19
Atom HH22 of residue 74
Atom CG1 of residue 30
Atom HG1 of residue 14
P2330
P2904
Atom HG13 of residue 61
P8562
Atom CG of residue 19
P4523
P3926
P6077
P6940
P2541
P8317
P7860
P6821
P2521
Atom HG22 of residue 12
Atom CD2 of residue 59
Atom CA of residue 17
P3729
P6871
Atom C of residue 25
P13267
P7720
P2939
P3409
P2
P4432
P10072
P7569
P7650
Atom CG of residue 63
P13016
Atom HB3 of residue 42
P5722
P3470
P1228
P54
P8294
P4371
P1466
P8705
P7083
P6347
P5098
P4293
P3537
GridCPF
P5479
P6733
P6667
P6417
UnaryFunction25
P2374
P7060
P2423
Atom CD of residue 38
P2732
P2187
P5910
Atom C of residue 17
P1387
P6600
P2047
P4585
P6036
P5388
P3938
P3322
Atom CD1 of residue 3
P7793
P3903
Atom HD11 of residue 13
P6426
P2928
P7093
P13017
P2127
P4654
P6941
P5785
P4174
P7797
P3192
P8013
P8318
P1
P5612
P4686
P2206
GaussianProcessInterpolation22
Atom HG21 of residue 14
P2544
P2331
P10073
P2905
P11323
P7570
P7644
P4524
Atom N of residue 29
P13268
P3927
Atom N of residue 75
P2940
P3410
PairScore 6
P7721
Atom HG21 of residue 61
ListSingletonContainer170
P6078
Atom HG3 of residue 40
P3730
P3471
P6872
Atom HB3 of residue 20
P0
P13018
Atom CE1 of residue 59
P4372
P1388
P2522
P4363
P7861
P6822
Atom O of residue 17
P1221
P5723
P2044
P8706
Atom H of residue 3
P0
P6348
P6668
P2542
P5099
P4294
P5480
P7651
P7094
Atom CD of residue 19
P7084
P6418
P4433
P3904
P7794
P4682
P7061
P3538
P4586
Atom CD of residue 63
P8295
Atom CA of residue 23
P6734
P5389
P3939
P3323
P2424
Atom HA of residue 38
P6601
P75
P2733
P13019
Atom CG2 of residue 30
P6037
P5786
P7645
P6427
P2929
Atom H of residue 72
P2095
P1246
P6942
P2186
Atom O of residue 64
P4175
P5911
P3193
P11324
P2375
P7798
P5613
P8014
P1389
Atom HB2 of residue 1
P4651
P6079
Atom ND2 of residue 77
P2207
Atom CD2 of residue 45
P3731
P2906
Atom HG3 of residue 74
P4525
P7862
P6823
Linear1DFunction 44
P3928
Atom N of residue 6
P2941
P4373
Atom CG of residue 57
P4364
P10074
P3472
P7571
P6873
P8319
P2183
P3905
P3411
P4295
P2332
P45
Atom HG1 of residue 22
P13269
P7722
Atom HD12 of residue 61
P2048
P8707
P6080
P6349
P6669
P5100
P2523
P5481
P5724
P1212
P7095
P6419
P4434
Atom O of residue 27
P7085
P5912
P7652
Atom CE of residue 63
Atom HE2 of residue 33
Atom HB2 of residue 40
P2543
Atom CD1 of residue 45
P3539
P4587
Atom HG22 of residue 55
P5390
P3940
Atom HA of residue 72
P3324
P7062
P6038
P5787
P6428
P2930
P1381
P6602
P49
P4683
P6943
Atom CD1 of residue 23
Atom HG12 of residue 26
P6735
P2425
Atom N of residue 6
P2096
P7795
P2734
P13020
P2189
P4176
Atom HD12 of residue 13
P3194
P11325
Atom CG2 of residue 14
P7646
MonteCarlo0
P5614
P4365
Atom HA of residue 61
P4652
P2546
P7799
P8015
P3732
P8320
P4526
P2184
Atom N of residue 78
P4296
P4374
P2376
Atom CD2 of residue 68
Atom H of residue 33
P2208
P13270
Atom CB of residue 17
P2907
P6874
AngleSingletonScore4
P7863
P6824
P3929
P50
P3906
P2942
P3412
P10075
Atom C of residue 2
P8197
P7572
P6081
P7723
P1382
P2333
P8708
Atom NZ of residue 63
P6350
P5101
P5482
P1213
P7653
P13021
Atom CA of residue 15
P6420
P5725
LYS
Atom CB of residue 27
P7796
P6670
Atom CA of residue 70
P4684
P7096
P7086
P3540
P4435
P2524
P4366
P4588
P0
Atom HG13 of residue 26
P6736
P6039
Atom HA of residue 16
P5391
P3941
P3325
P3600
P5788
P6429
P5913
P2931
P7063
Atom HG21 of residue 12
P2613
P6944
Atom HG23 of residue 55
Atom CA of residue 51
Atom HB2 of residue 72
Atom O of residue 48
P3473
P6603
P2097
P2735
Atom HA of residue 33
P4177
P3195
Atom CB of residue 22
P5615
P2426
Atom CE1 of residue 68
Atom HA3 of residue 10
Atom H of residue 23
P2188
Atom CG1 of residue 17
P3733
P2908
P8198
P7647
P4527
P7800
P8016
P3
P1991
P7097
Atom O of residue 15
P2943
P3413
P2129
P10076
P7573
P6875
P1383
P3930
P3907
P6671
P4297
P4375
P2377
P6082
P2209
P8321
P7864
P6825
Atom CA of residue 6
P3601
P2363
Atom H of residue 18
P11330
P8709
P13022
P6351
P5102
P13271
P3541
P5483
P7724
P4685
P6421
P4436
Atom OE1 of residue 41
P5726
P6945
Atom CA of residue 56
Atom C of residue 51
P1
P4367
P3474
P1992
P4589
P2614
P6040
P7087
P2545
P5392
P3942
P3326
P7797
P7654
P6430
P2932
Atom N of residue 69
Atom CA of residue 11
Atom HB2 of residue 16
P7064
P2525
P2098
P62
OptimizerState 3
P4178
P5914
P3196
P1384
P6604
P6737
P7648
P5616
Atom CD1 of residue 4
P2736
P5789
P2909
P2427
P7098
P2191
P2944
P4298
P7801
P8017
P11326
Atom HB3 of residue 8
P8322
Atom HE2 of residue 63
P6876
Atom HG21 of residue 55
P4528
P7865
P6826
P2130
P8243
P3908
P3414
P4376
P13272
P2364
Atom NE2 of residue 68
Atom HB1 of residue 28
P0
P7725
P3734
P3602
P3931
P10077
P8194
Atom CZ of residue 4
P8710
P7574
P7655
Atom HD3 of residue 11
P6352
ModelScoringFunction2
P6672
P5103
P2378
P3542
Atom CG2 of residue 17
P5484
P6083
P13023
P2210
P6422
P1385
P6946
P6738
Atom N of residue 17
P0
Atom NH2 of residue 72
P3475
Atom NE2 of residue 41
P4590
P5393
P3327
Atom H of residue 63
P7088
P6431
Atom O of residue 51
P5915
P2933
P4437
P6041
P11327
ListSingletonContainer171
P7798
Atom CD of residue 51
Atom HG of residue 8
P4179
P3943
P7065
P3197
P8244
P2584
Atom O of residue 4
Atom H of residue 9
Atom CE1 of residue 20
P5617
P6605
P5790
Atom CD1 of residue 8
P2526
P4368
P5727
P2910
P4687
P2428
Atom CD2 of residue 4
P2737
P7099
P2945
P3415
P4299
P4377
P10078
P7575
Atom HB2 of residue 28
P7649
P7802
Atom O of residue 14
P8018
P1386
P3735
P3603
P6877
P2190
P0
GLU
P4
P2131
P3909
P1522
P6084
Atom ND2 of residue 60
P3932
Atom H of residue 68
P1960
P8195
P8711
P6353
P8323
P5104
P7866
P6827
P3543
P5485
P3476
P1341
P6042
P6423
P11328
Atom HA of residue 63
P13024
P6673
P13273
Atom H of residue 17
P7726
P78
P7656
P6947
Atom CG1 of residue 13
P4529
P2379
Atom HB of residue 17
P4591
Atom HA of residue 8
P2211
P5394
P3944
P5728
P7799
VAL
P6432
P2934
P4438
Atom N of residue 42
P6739
P7089
P4369
P7650
P4180
PHE
P3328
P3198
P2361
P5618
P7066
P1395
Atom OE1 of residue 51
P5916
P5095
P6606
Atom HG3 of residue 38
P7100
P2585
P5791
P2946
P3416
MolecularDynamicsMover0
P4378
P1
Atom HG22 of residue 26
P7867
P6828
P1523
P2527
P2911
P3477
Atom H of residue 60
P2738
P4688
P6878
Model 22
P7803
Atom HG11 of residue 17
P8019
P3933
ListSingletonContainer165
P3604
P3910
P8324
P10079
P7576
P2193
Atom HA of residue 61
P2132
P3736
P8240
Atom O of residue 18
P13274
P1407
P1961
P6354
P6674
P5105
P3544
P5486
P6085
ARG
P6424
P11332
Model 320
P2433
P7727
P13025
P4530
P8210
P4592
P2
P6043
P5917
P5395
P5729
Atom HD2 of residue 38
Model 301
P6433
P4300
P2380
P2935
P8712
Atom OE2 of residue 51
P4370
P2366
P7090
P2212
P4181
Atom N of residue 10
P3945
P3329
P3199
P4439
P6740
Model 355
P5619
P7800
Atom HB2 of residue 63
P5792
P7067
P5120
P2912
P4689
P7651
P1408
Atom N of residue 25
P6607
P3605
P7657
P2586
P2947
P4379
P3934
Atom HG23 of residue 26
Atom HA of residue 55
Atom HB of residue 61
P13282
P3737
P11329
P7101
P6879
Atom CB of residue 3
Atom HA of residue 17
P6948
Atom HD12 of residue 8
P7804
P8020
ScoreState 32
P6086
P2739
P8242
P2192
P7868
P6829
P2528
P3478
Atom CB of residue 18
P10080
P1317
P7577
P3911
P6355
P3545
P2133
P5487
Atom CA of residue 74
P6425
ListSingletonContainer169
P3417
P8325
P4301
P8713
P4531
P1585
P1519
P8211
P4593
P7801
P13026
P13
P6675
P5396
P3330
P13275
P7728
P1962
Atom CA of residue 21
MD 0
P2936
P4440
P1393
P7658
Atom HB3 of residue 63
P6741
P6044
P5106
P5124
P4371
P5730
P2385
P3606
P4182
P5918
P3946
P3200
P7091
P6434
P2381
P5620
Atom HA of residue 60
P1315
P2213
P13283
P3738
P2913
P7068
P1306
P7102
P2587
P6949
P2948
P4380
P3935
P6608
Atom H of residue 43
P7652
Model 99
ASN
Atom HD3 of residue 38
P4690
P6880
P5793
Atom HB of residue 17
Atom HA of residue 25
P3912
Atom HG12 of residue 61
P5731
P10081
P7578
P2740
P2195
P7805
P8021
P6426
P3479
P3418
P6676
P8326
P6356
Atom HA of residue 44
Atom NH1 of residue 54
P7869
P6830
P3546
P5488
P6087
Atom HB of residue 55
Atom HB3 of residue 6
P13276
P1394
P2529
P8199
Atom C of residue 21
P2134
P2431
P7729
P11331
P8714
P5107
P4532
P4372
Atom HG22 of residue 13
P4594
P6045
P4302
P5397
P3331
P13027
P6435
P2937
P1520
P3607
P7802
P7659
P6950
P4183
P3947
P3201
P5794
P5621
P2365
P94
P7092
P5919
P4441
P2914
P1963
Atom N of residue 39
P4691
Atom CB of residue 55
P6742
MD 16
P7653
Atom HG11 of residue 17
Atom HB2 of residue 25
P7103
P2588
P2949
P3419
P2382
P7069
P5096
P2214
GaussianProcessInterpolationRestraint 32
P3739
P3480
P6609
P6881
Atom NZ of residue 6
Atom HG2 of residue 63
P3913
Atom HD22 of residue 43
Atom HB of residue 44
P4381
P13284
Atom NH2 of residue 54
P3936
P5732
P2432
P2741
P7870
P6831
P6427
P8200
Atom HB2 of residue 31
Atom HG13 of residue 61
P7806
P8022
Restraint 76
P6357
ModelScoringFunction3
P3547
P5489
P6088
P2194
Atom H of residue 10
P7579
P6677
P6951
P5108
P2530
Atom HA of residue 21
P8327
P5398
P3337
P4442
P2135
LYS
Atom HD13 of residue 73
P6743
P6436
P2938
Atom NE of residue 61
P8715
P13028
Atom HA of residue 43
P4303
P1582
P13277
P4373
P7730
P3608
P7660
P4184
P5920
P3948
P3202
Atom HG12 of residue 17
Atom HD3 of residue 27
P10082
P6046
P5622
P4105
P7803
P1528
P2915
P1964
P4692
Atom HG3 of residue 63
P7104
P2589
P5795
P2950
P3420
P13285
P2383
Atom H of residue 54
P5097
P4533
P7070
P3741
P3481
PHE
P6882
P6610
P11333
P7580
P3914
P7654
P4382
P3937
P5733
P2215
P6428
P10083
P7093
Atom HG12 of residue 44
P4304
P1586
P1
P6358
P7807
P8023
P5490
ASP
P99
P6089
Atom HB3 of residue 31
Atom HB2 of residue 21
P2387
P2546
P7871
P6832
P2742
Atom HB2 of residue 43
P6047
P13278
P3548
P4374
P7731
P3740
Atom CE of residue 1
P6678
P5399
P3338
P2136
P6437
Model 238
P8716
P2197
P1329
P5109
P2531
P3609
P7804
P4185
P3949
P3203
Atom NE2 of residue 68
P6744
Restraint 37
P2939
P5623
P4106
P7661
P6952
P7655
P2916
P2590
P7094
P2951
P3421
P5921
P1587
P5098
P4443
P3938
P4534
P3482
P4693
P6883
P5796
Atom HA of residue 54
P7071
P11334
P3915
P6359
P4305
P4383
P2384
P6833
P5734
P1965
P6611
Atom CD of residue 2
P7105
Atom OE1 of residue 2
P6429
P10085
Atom CA of residue 9
GaussianProcessInterpolation76
P2611
Atom CA of residue 45
P7581
Atom HD23 of residue 15
P2216
P5491
P6090
P13545
P7808
Atom HG13 of residue 17
P2156
Atom HD2 of residue 63
P6679
P1524
Atom CD2 of residue 62
P2743
P1347
P4535
P7872
P3549
P4375
P7662
Atom HB3 of residue 33
P5400
P2137
Atom CA of residue 39
P71
P6438
P8717
P6048
P5922
P5110
P3335
P3610
Atom HE2 of residue 6
P4186
P3950
P3204
P8024
P2367
P2196
P1588
P2940
P13279
P5624
P2532
P7732
P1
Atom HA of residue 8
Atom HA of residue 68
P2917
P4694
Atom CA of residue 128
P6745
Atom HD13 of residue 61
P4102
P7805
P2591
P6953
Atom OG1 of residue 66
P5797
P7095
P2952
P3422
P4306
P4384
P5099
P4444
P3939
Atom HG3 of residue 11
P7656
P3483
Atom C of residue 39
P6884
Atom HG13 of residue 17
P11335
Atom N of residue 16
P14
P6360
P7072
Atom HD13 of residue 44
P1966
ListSingletonContainer164
P6091
P7106
P4536
P13546
P6430
P10086
P3742
P6612
Atom HD3 of residue 63
P2612
P5735
Atom C of residue 27
P2385
P1525
P3550
P5492
P7582
P7809
P8025
P2217
P7873
Atom HG21 of residue 17
GLU
P4376
P5401
P6439
P2941
P13280
P8718
P7806
Atom HB2 of residue 68
Atom HG2 of residue 33
P6680
P5111
P6834
P3336
P7733
P3611
P7663
Atom N of residue 25
P4187
P3951
P3205
P2368
P13036
P2744
P3916
P6954
P6746
P6049
P5625
P2106
P8249
Atom HD2 of residue 11
P15
P5923
P2138
P2918
Atom O of residue 39
P64
P4537
Atom HG22 of residue 5
Atom HG21 of residue 17
P4103
P2592
P2953
P4307
P5100
P2533
P3940
P8264
P3484
P4695
P6885
Atom CG2 of residue 66
P7096
P1589
P4445
P3423
P4385
P13281
P5736
P6092
Atom HD11 of residue 61
P5798
P7073
P6431
Atom C of residue 128
P13037
P6613
P7583
P7107
P6361
P5493
P10084
P3743
P8241
P6681
P2580
Atom O of residue 27
P7874
P6835
P8026
P6955
P7657
P13547
P2386
P7810
P3551
P139
ASN
P7097
P5402
P1967
Atom CB of residue 39
P3917
P6440
P2942
P11336
P8719
P6050
P5112
P2
Atom O of residue 128
P4377
P3612
P1347
Atom C of residue 16
P4188
P3952
P1833
P3206
P2369
P2745
Atom HB3 of residue 68
Atom HG3 of residue 33
P5626
P13038
P7807
P7664
P1348
P8392
P2218
P1592
ALA
P4446
P2919
P2198
P5799
P7734
Atom CB of residue 9
P2107
P2593
P2954
P3424
P5924
P4308
P5101
Atom HG22 of residue 17
P3941
P6747
P2139
P3485
P4191
P8239
P4696
P6886
P4538
P2534
P4386
P5737
P3744
P1348
P7108
P7658
Atom HD11 of residue 13
P6432
P11337
P7074
P6362
P13548
P5494
P10087
Model 395
P6614
P6093
Atom CA of residue 25
P2581
ClosePairContainer
P1326
P7875
P6836
P6956
Atom CB of residue 66
Atom N of residue 57
P3552
P4378
P1968
Atom HG23 of residue 9
P7584
Atom CD2 of residue 8
P7098
P6682
P5403
P7811
P8027
P6441
P0
P2943
P1834
P8720
P5113
P2387
Atom CA of residue 28
Atom HG23 of residue 17
P3613
P7665
P3918
P6748
P4189
P3953
P3207
P7634
P5627
Atom O of residue 16
LYS
P5925
P13035
P2920
P6051
P2370
P7735
Atom HB3 of residue 46
P7808
P2955
P3425
P4309
P5102
P2537
P3942
Atom H of residue 68
Atom CG2 of residue 14
P2219
P8028
Atom CB of residue 128
P3745
P4192
Atom OD1 of residue 39
P2746
P4697
P6887
P5800
Atom CG2 of residue 3
P2594
P8217
P4387
P5738
P2108
P6094
P6433
P4447
P10088
P3486
P11338
P7585
Atom HE3 of residue 63
Atom HE3 of residue 1
P7659
Atom H of residue 18
P2199
P6363
P7075
P3553
P2140
P5495
P2582
P6615
P7109
P2535
P1324
P6957
P3
Atom N of residue 18
P7099
P4539
P5404
THR
P7876
P6837
Atom O of residue 32
P6052
P6442
P13549
P7812
P2944
P7635
P8721
P2
P136
SER
P6683
P5114
P4379
P0
P3614
Atom O of residue 107
Atom O of residue 59
P4190
P3954
P1835
P3208
P1969
Atom N of residue 47
Atom HG1 of residue 9
P5628
P7809
P3919
THR
P2388
P2921
P4107
P0
P4698
P6749
Atom CB of residue 11
P7666
P2956
P3426
P5103
P3943
Atom HB3 of residue 34
P8029
P7736
P3746
P3487
P6888
P5926
Atom HA of residue 18
Atom HD22 of residue 56
P2595
P3
P8218
Atom H of residue 14
P4310
P4388
P6838
P6095
P2747
P2220
P4448
P2371
P11339
P7660
Atom CA of residue 66
P7877
Atom CB of residue 32
P6364
P2141
P5496
Atom HZ1 of residue 63
P2583
P4540
Atom HA of residue 17
P7076
P6434
P5739
P2109
P7586
P3920
P13550
P7636
P10089
P6616
Atom CG of residue 32
P7110
P6958
P3554
P4380
Atom OD2 of residue 39
ListSingletonContainer201
P2200
P5801
P7100
P4196
P6684
P5405
P3955
Atom CA of residue 4
Atom HD23 of residue 56
P6443
P2945
Atom CA of residue 18
P2536
P8722
Atom HA of residue 56
P7667
P5115
P7813
P1836
Atom CB of residue 107
P3209
P4108
Atom CG of residue 59
Covariance1DFunction 9
P6053
P5927
P5629
Multivariate Normal distribution 31
Atom N of residue 45
Atom HE22 of residue 31
Atom CA of residue 63
P3747
P2922
GLY
P3615
P2750
P7737
P2596
P2957
P3427
P4311
Restraint 144
P2389
P5104
P1970
P6750
P8030
P3488
P7810
P4699
P6889
Atom C of residue 66
P3921
P8219
Atom HG2 of residue 34
P4541
P4389
P6839
Atom HG3 of residue 41
P3944
P10090
Atom HZ2 of residue 63
P6435
P11340
P5802
P7644
GLU
P6365
P2221
P4449
P5497
P72
P6096
P7661
P2584
P1858
Atom C of residue 29
P5740
P4197
P7878
P7077
P2372
P2071
Atom HB2 of residue 56
P6959
Atom HZ1 of residue 11
P3555
P4381
P6617
P2110
P7587
P7111
Atom HE2 of residue 48
P5406
P3956
P2779
P6444
P2946
P8723
ScoreState 44
Atom CD1 of residue 59
Atom CE of residue 63
P2201
P7101
P1348
P5116
P3616
Atom HG23 of residue 44
P13551
P7814
P3210
P2142
P7811
P6685
P5630
Atom H of residue 39
P7668
Atom NE1 of residue 62
P3748
P2923
P6751
P6054
P2597
Atom NH2 of residue 42
P2958
P3428
P5928
Atom HE21 of residue 41
P5105
P8031
P4700
Atom H of residue 48
P7662
P1971
P3922
P8220
P4312
P4390
P2390
P6840
P3945
P7738
P1
P6436
P4450
P3489
Atom HG3 of residue 34
P4542
P7646
Atom HD3 of residue 11
P2780
P5803
P6366
Atom N of residue 66
P5498
P10091
P2072
P11341
P6097
Atom HE3 of residue 48
P2585
Atom O of residue 29
P2373
P7588
P6890
P6960
Atom C of residue 59
P2222
P6686
P1859
P7078
P3556
P4382
P5741
Atom HD13 of residue 3
P2111
P7102
P5407
P13552
P7879
P3959
P6618
Atom HB3 of residue 56
P7112
P6445
P2947
P8724
P2202
ASP
P4194
P5123
GeneralizedGuinierPorodFunction 15
Atom C of residue 18
P2538
P3211
Atom NZ of residue 63
P6055
P7815
P5631
Linear1DFunction 27
Atom HZ3 of residue 63
Atom HG3 of residue 62
P1601
P3749
P2924
P3617
P4701
Atom HA of residue 48
Atom CG of residue 42
P7812
P7669
P2598
Atom CE2 of residue 62
P1
P2959
P3429
P4315
P2143
P2749
P0
Atom HZ1 of residue 48
P5929
Atom HE22 of residue 41
P3923
Atom HZ1 of residue 48
P6752
P8221
P4391
P6841
P8032
P3946
P7739
P3957
P0
P6437
P3490
P1972
P11342
ListSingletonContainer181
P6891
P7663
Atom HG22 of residue 9
P5804
P6367
P5117
P2391
P5106
P5499
P6098
P4543
P7637
P5742
P2374
P4313
P7880
P4451
P10092
Atom HA of residue 39
Atom CG of residue 54
P6961
Atom NE of residue 21
P4195
P3557
Atom CA of residue 10
Atom HB3 of residue 11
P7103
P2586
P5408
Atom OG of residue 65
P7079
P6446
P2948
P1837
P6619
P8725
P2112
P7589
Atom N of residue 64
P7113
P2223
P6687
P4383
P2203
MET
P5632
P2053
P7670
P6753
P13553
P7816
P2539
P2925
P3618
P4702
Atom HE2 of residue 63
P3212
P2599
P2960
P3430
Atom CG of residue 52
P5930
Atom HB2 of residue 48
P6056
P8033
P3750
P7813
P2144
P96
P3924
P8222
P5118
P4392
Atom O of residue 13
P5107
P3947
Atom HD2 of residue 33
P4545
P6438
P2
P11343
P1425
P6892
P6842
P7746
P3491
Atom HB2 of residue 39
P6368
P1
Atom O of residue 18
P5500
P1973
P7590
P6099
P7664
P2587
P3958
P7638
Atom HZ2 of residue 48
Atom H of residue 63
P5805
P4314
P2392
P4452
Atom O of residue 2
P6964
P7104
P5409
P3558
Atom CD of residue 54
P6447
P1318
P2949
P7080
P5743
P8726
Atom HG2 of residue 11
P2224
P13554
P7881
P4384
P6620
P3619
P7114
P2
P6057
P4544
P1838
P3213
P2113
P2462
P6688
P5633
P1593
P2375
ListSingletonContainer180
P3751
P2926
P4703
P2204
P2
P7817
P10096
P7740
P2054
P7814
P2601
P6962
P2961
P1427
P6754
Atom O of residue 55
P8034
Atom CB of residue 18
P2540
P7671
Atom HA of residue 23
P2145
GLU
P3925
P8223
P5806
P5119
P4393
Atom CB of residue 13
Atom HA of residue 52
P6843
P5108
P3948
P6100
P6439
Atom CA of residue 31
P11344
Atom HB3 of residue 19
P7665
P3492
Atom HE3 of residue 48
P3431
P6369
P5501
P7882
Atom HB3 of residue 39
P2600
P6893
P1974
P7591
Atom HD3 of residue 33
P5931
P2588
P5410
P3559
P4453
P10093
Atom HB of residue 7
P6448
P2393
P2950
P3960
P7741
P8727
P1428
P6689
P7639
P7081
P4385
P5744
P3620
Atom HE2 of residue 59
P1839
P3214
P7672
P7115
Atom CB of residue 55
P7105
Atom OD1 of residue 52
P5634
P2225
Atom HG21 of residue 17
Atom CG of residue 18
P3752
P2927
P2114
P4704
P6058
P6963
Atom HG2 of residue 19
P2962
P4546
P13555
P6
P7818
Atom HB2 of residue 52
ListSingletonContainer176
P2205
P5932
P8035
P2376
P10094
P2055
Atom NE of residue 54
P1594
P6621
P3926
P6755
P8224
P5125
P4316
P4394
P6844
P0
P3949
P7815
P6440
P2541
P2146
P3493
Atom H of residue 52
P5807
P6370
Atom HG23 of residue 44
P5109
P3560
P5502
P6101
Atom CA of residue 64
Atom CE of residue 11
P2589
Atom CA of residue 94
P7742
P6894
Atom HH of residue 59
P4454
P1975
P11345
P7666
P2463
P7640
P10095
ASN
P5411
P7883
P3432
P6449
Atom OD2 of residue 52
P2951
P8728
P7592
P1343
P4386
Atom OG1 of residue 55
P1840
Restraint 54
P7082
P3215
P5745
P7106
P13556
Atom HB3 of residue 52
P5635
P6622
Atom C of residue 64
P7116
P5215
P2928
Atom CG of residue 39
P7816
P4705
P6690
P7673
P2602
P2963
P4317
P2394
Atom HG22 of residue 17
P2115
P1422
P6756
P6059
P2226
P5934
P7819
P3753
P3494
P3621
Atom O of residue 11
P3961
P2544
P1318
P3927
P2206
P8225
P4547
P4395
P6845
P3950
P2377
P2056
Restraint 181
P6102
P7667
P6441
P1595
Model 321
P8036
P6371
P5110
Atom CD of residue 18
P2147
P5503
P2464
P2590
P7743
P6895
P5808
P3433
Atom HD11 of residue 44
P11346
Atom HD2 of residue 74
P6965
P7
P7641
P7593
Atom N of residue 60
P5412
P2542
P1976
P6450
P6691
P2952
P5636
Atom CA of residue 25
Atom HA of residue 52
P8729
P1351
Atom O of residue 64
P7884
P0
P4455
P4387
Atom C of residue 94
P8247
Atom OE2 of residue 16
P7083
P5746
P6623
P1431
P2929
Atom O of residue 9
P4706
P7117
P6060
P7107
P4
Atom H of residue 47
Atom N of residue 53
P3216
P2603
P2964
P4548
P4318
P3561
P2116
P5935
P1841
P3754
P3622
P7817
P7674
P13557
P7820
Atom HD3 of residue 74
P2207
P8226
P4396
Atom OE1 of residue 18
P3951
P2378
P2057
P2227
P6442
P1596
ARG
P6757
Atom HE1 of residue 59
P3434
P5121
P3962
P8037
P10097
P3928
P5809
P6372
P5111
P5504
P6103
Atom CB of residue 64
P7668
P2591
P2395
P6846
ListSingletonContainer162
P6896
Atom HG21 of residue 44
P5
P2148
P8730
P1434
P6966
P1813
P7642
P7744
P5413
P7885
P1323
P11347
P6451
Covariance1DFunction 43
P2953
P5637
P4456
P4388
Atom HD13 of residue 67
P3495
P1977
Atom NZ of residue 11
P3217
Atom O of residue 11
P2543
P7594
P7108
P6692
P3562
Atom OD2 of residue 52
P7084
P5747
P3755
P2930
P4707
P2465
P13558
P6624
P7675
P7118
P6758
P2965
P3435
P4549
Atom N of residue 21
P2117
P3
Atom HA2 of residue 47
P1842
P3623
P3963
P1435
P2604
P2208
P8227
P6061
P5933
P4319
P4397
P7821
P3952
P2058
P7818
P6104
P6443
P8248
P5122
P2379
Atom CA of residue 1
P3929
P6373
P5112
UnaryFunction5
P5505
P2228
P2593
P6847
P8038
P7745
P6625
P6897
P13559
Model 77
P10098
P11348
P8731
P6967
P1597
P7669
P2396
P7651
P1334
P3496
Atom HG22 of residue 44
P5810
P5414
P2149
P6452
P2954
P5638
P1597
PRO
P4389
ASP
P3218
Atom HH11 of residue 74
P8249
P1688
P2466
P7886
P3563
P4457
P1978
P7595
Atom HA of residue 2
P6062
P2592
P3964
P3756
P2931
ListSingletonContainer179
P4708
P6693
P7085
P5748
P2966
P4550
P4320
P3953
P1339
P7119
P7109
Atom H of residue 26
P7643
P3624
P7819
P0
P1429
P6759
P8228
P3436
P5936
P4398
P7676
P6105
P7822
P6444
P2605
P5811
P5216
P8039
Model 261
P2118
P3930
P6374
P1843
P5113
P5506
P3497
P7670
Atom HA3 of residue 47
P2380
Atom CG of residue 64
P6898
P2209
P10099
P6968
Atom HB2 of residue 1
P7887
P6848
Atom HB of residue 44
P1809
P5415
P2150
P6626
P2059
P2955
P5639
P3564
P7747
P8732
Atom HB2 of residue 18
P2229
P3965
P4458
P4390
P11349
P3219
Atom HH12 of residue 72
P1430
Atom HB2 of residue 74
Atom C of residue 15
P1
P6453
P6694
P2545
Atom HG2 of residue 24
P7596
P8266
P7647
P1598
P2932
P1337
P3625
P7677
P4709
P1591
P2397
Atom C of residue 68
P1979
Atom CA of residue 21
P2967
P4552
P4321
P7086
P1679
Atom HB3 of residue 74
P5749
P5937
P3757
P3498
P7120
P7110
P5217
P3931
P8229
P3437
P2467
P4399
P13294
Atom HA of residue 26
P3954
P6106
P6445
P2606
P6760
P7823
P10100
P2119
P7820
P6375
Atom C of residue 38
P1844
P5114
P3565
P5507
P1339
Atom HB3 of residue 18
P6063
P2594
Atom N of residue 48
P6849
P6899
Atom CD of residue 112
P2210
P5812
P4
P6969
P8040
Atom NH1 of residue 73
P2381
P2060
P4551
P5416
Atom HH21 of residue 72
P2151
P6627
P8250
P1684
P7671
P2956
P5640
Atom CG of residue 21
P8733
Atom HG1 of residue 7
P7888
P7648
P4391
P3220
Atom HG2 of residue 74
P11350
P7597
Atom CD of residue 64
Restraint 115
Atom O of residue 15
P6454
P1592
P2230
P2398
P3966
P3758
P2933
P4459
Atom CB of residue 68
P1980
Atom HG3 of residue 24
P3626
P2968
P4322
P4400
P13295
P1599
P3955
P7748
P7821
P1810
P6695
P7087
P5750
P3499
P7678
P4710
P3932
P7121
P6761
P8230
P6064
P7111
P3438
P6376
P6446
P2607
P5938
P7672
P5115
P3566
P5508
P10101
P6107
Atom HZ1 of residue 11
Atom OE1 of residue 16
P5126
Atom CD of residue 72
P6628
Atom CA of residue 24
P6900
Atom CB of residue 61
P2120
P6972
Atom HB2 of residue 8
P2061
Atom NE of residue 112
P5813
P5417
P8041
P2211
P6850
P2957
P1845
P5641
Covariance1DFunction 63
P2382
P8734
P2595
P7824
P3967
Atom HH22 of residue 72
P4392
Atom OE1 of residue 64
P6696
P3221
P7749
P3627
P7598
P6455
P7889
P11351
Atom HZ2 of residue 27
P1593
P2231
P2468
P1324
P2152
Atom HG3 of residue 74
P2934
P4711
P8251
MolecularDynamicsMover5
P2399
P4460
P1981
P6970
P1685
P2969
P3439
P5939
P4553
P7645
Atom OD1 of residue 21
P1811
P3759
ListSingletonContainer183
P7088
P1600
P5751
P5095
P3933
P8231
P6065
P6377
P4401
P3956
Atom HD13 of residue 69
P7822
P7679
P7122
P7112
Atom NE of residue 72
P6447
Atom C of residue 24
P2608
P13296
Atom CG1 of residue 44
P6851
P5116
P5509
P10102
P6108
P6762
P5127
P5418
P7825
P3500
P6901
P5814
Atom OE2 of residue 16
P7673
P3567
P6629
P1689
Atom HG of residue 8
P4323
P2958
P1846
P5642
P8042
P2383
P8735
P102
P2469
P2596
P7890
P4393
P8252
P3222
P2121
P6456
Atom N of residue 73
P2062
P3968
P2153
P3760
P2935
P11352
P7599
P4712
P2212
P2232
P1814
P6697
P13051
P3628
Atom HZ3 of residue 27
P6971
P2970
P3440
P4402
P3957
Atom CE of residue 105
Atom NH2 of residue 72
P4461
P7680
Atom HA of residue 38
P8247
P6763
P13297
P2400
P7750
P5120
P1594
P8232
P5940
P7089
P5752
Atom HD21 of residue 69
Atom CG of residue 29
P6448
P1604
P3501
P1982
P7123
P2609
P6066
P7113
Atom HZ1 of residue 48
P7823
Atom CG2 of residue 44
P6378
Atom CG2 of residue 66
P5123
P5510
P10103
P5128
P5419
P7826
P6630
P6902
Model 23
P3934
P1815
P6852
P3568
P4394
P6109
P4554
P7600
P8246
P7674
P2959
P5643
P2384
P8736
Atom OE2 of residue 64
Atom SD of residue 105
P1690
P5815
P2597
P8043
P3333
P13052
P3223
P6457
ListSingletonContainer172
P6067
Atom HH11 of residue 72
P3969
P7751
P2936
P2122
P4713
P4324
P7891
P1847
P4462
P2063
P11353
Atom HB2 of residue 1
P5124
P3629
Atom HE2 of residue 4
Atom N of residue 4
P3441
P2470
P2401
P5117
P8253
P2213
Model 52
P6698
P3761
P3502
Atom HZ2 of residue 48
Atom CB of residue 21
MD 5
P1598
P8233
P2971
P4403
P2154
Atom HB2 of residue 38
Model 180
P7090
P6449
P5753
P1983
P2610
P6764
P5941
GaussianProcessInterpolation47
Atom CD of residue 29
P7681
P3935
P7124
P7114
P6379
P2233
Atom H of residue 66
P3569
P5511
P3958
P10104
Atom C of residue 15
P5816
P5129
P13298
Atom NH1 of residue 72
Atom CZ3 of residue 111
P6631
P6903
P1314
P6973
P7675
P7827
P4395
P2388
P7824
P6110
P5420
Atom C of residue 2
P7892
P2960
P8737
Atom H of residue 44
P1692
P2598
P3334
P4325
P3224
P8044
P7601
P6458
Atom N of residue 17
P5644
P5118
P1602
P8254
P6068
P3970
P3762
P2937
P2123
P4714
P2471
P6699
P1848
P3630
P8250
P3442
P7828
P11354
P7682
Atom H of residue 64
P2214
P13053
P3503
Atom CH2 of residue 108
THR
P4555
P5
P8234
P2972
P5942
P4404
P2402
P4463
P3962
P2064
P13299
P6450
P7752
Atom C of residue 21
P5096
P1599
P7091
P2155
P5754
P6380
Atom HE21 of residue 31
P3570
P5512
P6111
P7125
ModelScoringFunction11
P6765
P7115
P5130
Atom CH2 of residue 111
P6632
P7825
P6904
P2234
Atom HA of residue 66
P10105
P3936
P2722
P6974
P1603
P1984
P1341
Atom CB of residue 3
P5817
P5421
P2389
Atom HG21 of residue 14
P1816
Atom CA of residue 17
P2961
P5645
P3959
P8738
ListSingletonContainer173
P2599
Atom O of residue 72
P3971
P4396
Atom HA of residue 64
ARG
P7676
P3225
P1696
P6459
P4326
P7893
P8045
P5119
P3246
P2547
Atom HB3 of residue 38
P6069
P2472
P13054
P2938
P7602
P1526
P3631
P2973
P3443
P4405
P7829
P7753
P3763
P11355
Atom N of residue 109
P4715
P4556
Atom O of residue 21
P8255
P8235
Atom HG2 of residue 2
P6700
P4464
P5513
P2124
P7683
P1817
P1849
P6451
P3504
P5097
P1710
P1596
P6766
Atom HG1 of residue 66
P2065
P3937
P2215
P6381
P2403
P7092
P4595
P5755
P10106
P6112
P2723
P8248
P5943
P5131
P7826
P7126
P6905
P7116
P7677
P2235
Atom HE22 of residue 31
P3960
P6977
Atom HB3 of residue 15
P13300
P2156
P4397
P1985
Atom HB2 of residue 64
P4557
P5422
P4327
P2962
P5646
P6633
P8739
P5818
P2600
P1527
P3226
P7603
P1691
P6460
P5125
P0
P3247
ASP
P6070
P2473
P6701
P3972
P8046
Atom CA of residue 12
P3764
Atom N of residue 70
Atom HB2 of residue 31
P7894
P3632
P8256
P6975
P2974
P3444
P4406
P7830
P0
Atom CA of residue 7
P2939
P3505
P4716
P5944
P4328
P2386
P11356
P8236
P1818
P13055
P5514
P1711
P6113
P3938
Atom HB2 of residue 50
Atom HG of residue 15
P6452
Atom OE1 of residue 62
P5098
P4558
P4465
P2066
P2125
P7684
Atom CA of residue 1
P6382
P13301
P2404
P1850
P4649
Atom CZ2 of residue 108
P10107
P7754
P2679
P5132
P5756
P1528
P6906
Atom CB of residue 2
P2216
P3961
P7127
P6767
Atom CB of residue 37
P7117
P5215
P4398
P61
P7827
P5819
P5423
P7678
P2130
P2963
P5647
P2157
P6634
P8740
P2601
P2236
P7093
P3227
P6461
P7895
P3248
P1986
P1822
P3973
Atom CA of residue 64
P4717
Atom CB of residue 30
P8047
P3633
Atom CA of residue 121
P6976
P6071
Atom HE3 of residue 63
P2975
P3445
P4559
P4329
P7831
P13056
P7604
Atom HB3 of residue 50
P6702
Atom HB3 of residue 31
P3765
P2940
Atom N of residue 63
P1705
Atom CA of residue 21
P2474
P7755
P7828
Atom CA of residue 70
P8237
PRO
P4650
P4466
P7685
P3939
Atom OE1 of residue 51
P6768
P3506
P5099
P8257
P2680
P6907
P5945
P1498
P2126
P6383
P2131
P1851
P5515
P10108
P1523
Atom HB3 of residue 64
Atom C of residue 17
P5133
P6453
P2067
P2217
P7094
Atom CZ3 of residue 108
GaussianProcessInterpolationRestraint 15
P5757
P59
Atom CG of residue 37
P11357
P6114
P7128
Atom HZ1 of residue 63
P7118
Atom HD12 of residue 61
P5424
Atom H of residue 62
P4407
P13302
P2964
P5648
P2158
P8741
P2602
P4400
Atom C of residue 64
P7605
P7679
P2237
P3228
P6635
P3634
Atom CD of residue 2
P5820
P6462
P3249
P1987
P6072
P3974
P2941
P2475
Atom CG1 of residue 30
P5121
P63
P2976
P3446
P4560
P4330
P2405
P8048
P3963
Atom HG2 of residue 31
P7896
P3766
P1706
Atom C of residue 121
P4718
P8258
P6911
Atom HA of residue 61
P7832
P7829
Atom HG of residue 50
P8238
P6703
P4399
Atom HG2 of residue 64
P3507
P11358
P5100
P13057
Atom OE2 of residue 51
P6384
P5516
P6118
P3940
P6769
Atom CA of residue 38
P5946
P5134
P1500
P6454
P4467
P2068
Atom HA of residue 62
P7686
P2653
P4408
P13303
P7095
P4596
P7756
P6978
Atom HG of residue 69
P5821
P5758
P1524
P5425
P2406
P10109
P7129
P7119
P7680
P2965
P5649
P6636
P8742
Atom CD of residue 37
P2603
P3975
P2127
P1852
P3229
P2159
P3635
P6463
P3250
Atom O of residue 64
P6115
Atom HZ1 of residue 27
P2218
P6073
P2081
P2942
P7606
Atom HG3 of residue 64
P4719
P6912
P2238
P7897
P5122
P2977
P2476
Atom N of residue 38
P7833
P6704
P8049
P3767
P1707
P1332
P1494
P13058
P1988
P7830
P7687
P8239
P3447
P4561
P4331
P4409
P3964
Atom NE2 of residue 62
P3941
P7757
P3508
P11359
P5101
P2654
Atom HD11 of residue 50
P5947
P1
P6385
HIS
Atom CD1 of residue 56
P5517
P8259
P5135
P6455
P4468
P1310
P4597
P6979
P6770
P4401
P5426
P7096
P10110
Atom HG21 of residue 12
Model 356
P2407
P5650
P8743
P6116
P7130
P5822
P7120
P2604
P3976
Atom HG of residue 15
P1530
P13304
P3230
P2160
P3636
P6464
P2966
P3251
P2069
Atom CB of residue 64
P6074
P7681
Atom HB3 of residue 42
P2943
P6637
P2242
P7898
P1495
P5216
P5759
P2128
Atom H of residue 51
Atom C of residue 24
Atom HD2 of residue 68
P2978
P3448
P4562
P4332
P7834
P1853
P3965
P7607
Atom CA of residue 65
P7097
ScoreState 15
P3768
P4720
P2219
P2239
P0
P8050
GaussianProcessInterpolationRestraint 45
P7831
Atom CG of residue 18
P8240
P2477
P2082
P8260
P2616
P6910
Atom HB3 of residue 6
P3509
P1989
P5102
P6705
P7688
Atom HZ3 of residue 27
P6386
P5518
P11360
P1708
P3942
P6771
P5136
P13059
P6456
Atom CD2 of residue 56
P4598
P6980
P5948
P4410
P4469
Atom CB of residue 30
P7682
P5427
P13305
P7758
P6638
P95
P2967
P5651
P5760
Atom CG of residue 64
P8744
P6117
Atom N of residue 65
Atom HE1 of residue 68
P2605
P3977
P10111
P1533
P7131
P7121
Atom CG of residue 29
P2241
P1496
P3231
P5217
P3637
Atom C of residue 11
P5823
P6465
P2408
P3252
Atom HD11 of residue 15
P11361
P4402
P3769
P2944
P7608
P2979
P6706
P4333
P7835
Atom HD23 of residue 67
P7899
P7098
P2070
P98
Atom NE2 of residue 68
P2129
P4721
P2220
P6075
P1854
P8241
P3449
P2083
P4563
P8051
P2161
P3966
P1712
P3943
Atom N of residue 28
P5949
P1506
P13060
P3510
P5103
P7832
P0
P2240
Atom CA of residue 36
Atom HD21 of residue 8
P6387
P4411
GaussianProcessInterpolation27
P5519
P7759
P5860
P5137
P6457
P4470
P7689
P4599
SER
P8261
P2478
P0
P5434
P10112
P6772
Atom HA of residue 41
P2968
P5652
P5761
P1995
P8745
P6981
P5824
P2606
P7683
Atom CG of residue 56
P3232
P6639
P7132
Atom HB2 of residue 28
P7122
P6466
Atom CA of residue 68
P3253
P11362
P5861
Atom HG3 of residue 6
Atom CD of residue 29
P13306
P1507
P3978
P3770
P2945
P2075
Atom HA of residue 68
P4722
Atom CD of residue 34
P2618
P7900
P1529
P3638
P2980
P3450
P4334
P2409
P4403
Atom HD22 of residue 8
P7099
P5126
Atom CA of residue 49
Atom HD1 of residue 68
P6076
Atom CD of residue 51
Atom C of residue 36
Atom CD of residue 64
P7833
P7609
P8242
P6707
P4564
P3967
P2130
P1713
P6119
P2221
P4412
P5428
P7836
P1855
P8052
P3511
P5104
P2
P7690
P8262
P6773
P6388
P5520
P3944
P5950
P5138
P6458
P2162
Atom HB2 of residue 41
P2084
P4600
Atom O of residue 2
P1508
P13061
P2030
Model 322
P2180
ListSingletonContainer193
Atom HB3 of residue 68
P2241
P2969
P5653
P4471
P8746
P6982
P2607
P13307
P7760
GLN
Atom OE1 of residue 34
P3233
P5762
P2122
P6467
P3254
P4404
P11363
P7610
P7133
P5862
P7123
P7684
P8450
P3979
P2946
P6640
P2619
Atom O of residue 42
P5825
Atom OE1 of residue 51
P3639
Atom CG1 of residue 13
P2981
P3451
P4335
P3968
Atom CE of residue 29
P4413
P5429
P7100
P5127
P3771
P3512
P4
P2479
Atom HD21 of residue 67
P7834
Atom C of residue 65
P8243
P4565
P7901
P10113
P2131
P6077
P7837
P1856
P5763
Atom O of residue 36
P1993
Atom OE1 of residue 64
P5105
P6708
P8053
P1600
P2222
P6389
P1501
Multivariate Normal distribution 15
P5521
P6120
P3945
P1311
P5139
P2410
P6459
Atom CA of residue 69
Atom HB3 of residue 28
Atom HB3 of residue 41
Model 218
P2085
Atom H of residue 75
P4601
PHE
P7761
P6983
P6774
P5951
P2163
P7691
P4723
P8263
P5826
P5654
P4472
P10114
Model 116
P8747
P8451
P2608
P2181
P3980
P4405
P7685
P3234
Atom CG of residue 1
P6641
P2073
P6468
P2242
P2970
P3255
P11364
P5863
Covariance1DFunction 10
P2947
P2620
P7124
P3640
P2982
P2480
P4336
P13308
Atom H of residue 68
P7611
Atom HZ1 of residue 63
P4414
P5430
P5128
Atom C of residue 63
Atom C of residue 37
P3772
P4101
P6078
Atom HG23 of residue 23
P13094
P7835
P8264
P8244
P3452
P6709
P4566
P7101
P3969
P1601
P6121
Atom C of residue 15
Atom HA of residue 68
P7902
P5764
P3513
P7692
P7134
P1502
P2132
Atom O of residue 14
P6390
P1857
P8054
P5522
P1994
Atom OE2 of residue 64
P3946
P1694
P5952
P5140
P6460
Atom HB2 of residue 27
Atom HG2 of residue 64
P2223
Atom HA2 of residue 75
P4603
P2411
P13095
P5106
P6775
P2971
P2164
P10116
P8748
P6984
P2609
P7841
P4406
P2086
P3235
P4473
P2074
P3641
Atom O of residue 65
Atom C of residue 49
P5827
P6469
P2243
P2182
P13309
P5655
P3256
P7762
P4724
P5864
P8452
P3981
P2948
Atom C of residue 50
P4102
P2621
Atom O of residue 15
P4602
P11365
P7135
P1695
Atom H of residue 64
P7125
P7686
P2983
P3453
P4567
P4337
Atom HD11 of residue 23
P1307
P6642
Atom HD13 of residue 8
GLU
P4415
P5436
P7102
P5129
P3773
P3514
P86
Atom HG of residue 71
P7612
P3970
P6122
P3947
Atom HG2 of residue 37
P1861
Atom C of residue 11
P5765
P7903
Atom ND1 of residue 68
P6079
P6391
P7838
P5523
P7836
P6710
P5141
P8055
P6461
P5107
P2133
P7693
P2224
Atom HA of residue 64
Restraint 77
Atom CB of residue 65
P6985
P6776
P8245
P2481
P13063
P4407
Atom HG3 of residue 64
P7763
P5953
P2972
P4474
P10117
P8749
PairPredicate 8
Atom HH11 of residue 74
P7687
P8453
P2610
P2412
P3982
P6643
P2087
P3236
P2165
P1317
P4099
P6470
P5656
P3257
P1602
P11366
P4725
P2244
Atom HB3 of residue 27
P2949
Atom O of residue 50
P2622
P5828
Atom HD12 of residue 71
P2183
Atom HA3 of residue 75
P3642
P7136
P5865
P2984
P4338
P1358
P7613
Atom O of residue 14
P6080
P7126
P4416
P5672
P7103
P5130
P3774
Model 394
P6711
P13310
P3454
P4568
P3971
Atom CD1 of residue 45
P6123
Atom HG3 of residue 37
P1863
P5766
Atom HB2 of residue 64
Atom CA of residue 64
Atom H of residue 64
P140
Atom OG of residue 65
P8246
P6392
P5954
P7904
P13064
P5524
LEU
P7837
P3948
P2482
P5142
P6462
P5108
P2225
P2052
P7839
P8056
P6986
P2134
P7694
P4726
P1693
P2973
Atom CA of residue 76
P4604
P1359
P8750
Atom N of residue 65
P2680
P3983
P4408
P3515
P6777
P2413
P3237
P10115
P1603
P6471
P5657
P3258
P11367
P5866
P7688
P4475
P2166
P2950
P6644
P2623
P13311
P7840
P7764
P1836
Atom CA of residue 18
P3643
P4100
P2985
P3455
Atom HD13 of residue 71
P8454
P4569
P4339
P2245
P2088
P2184
P4417
Atom HD2 of residue 37
P7104
P5131
P3775
P7137
Atom HB3 of residue 64
P7127
GeneralizedGuinierPorodFunction 11
P2
P1
Atom HA of residue 64
P5854
P5433
P3972
P6124
P6081
P7614
Atom HG21 of residue 9
P6712
Atom CG2 of residue 44
P141
P8247
P6393
P5525
P5767
Restraint 382
P4727
P8296
P1342
P5143
P7905
P6463
P7695
P6778
GLY
P1696
P5955
Atom CD of residue 29
P8057
P4409
P3516
P7138
P2057
P5109
P2483
Atom N of residue 64
P2974
P1860
P13065
P5658
P8751
P2135
P2799
P7765
P2226
P3238
P4605
P10118
P3644
SER
Atom H of residue 65
P6472
P8455
P3259
P1837
P11368
P3949
P5867
P6987
P1343
P0
P3984
P4600
P2167
P1604
P2951
P2624
P2414
P7615
P7689
P2986
P4340
P3973
P6645
P138
P6908
P4418
Atom HG22 of residue 5
Atom CG of residue 15
P5132
P3776
P1697
Atom CA of residue 21
P4728
P7128
P3456
P2089
P5673
Atom HG2 of residue 64
P2246
P13312
P7842
P5768
P3517
Atom HB2 of residue 64
P1318
P2185
P7105
P6082
P6394
P5526
P6125
Atom CG1 of residue 5
P6713
Atom HD23 of residue 71
P5144
P6464
P7906
P13066
P7838
P8248
Atom N of residue 48
Atom CE of residue 29
P7139
P8058
P1605
P5110
P6779
P5956
P4570
P2975
P5659
Atom CD1 of residue 44
P10119
P8752
P2136
P7696
P3950
P6991
P4410
P1838
P2227
P3239
P4606
Atom HB2 of residue 51
Atom CG1 of residue 61
P6473
P2484
P2678
Atom C of residue 21
P5868
ARG
P6909
P7690
P5674
P3985
Atom HG21 of residue 30
P2952
P6646
Atom HA of residue 65
P2625
P3
P3645
P8361
P2987
P3457
P6
P4341
P4601
P3260
P2168
P13313
P5133
P7766
P3777
Atom HB3 of residue 64
P11369
P8456
P2415
P3518
P7616
P4729
P6988
P2090
P3974
PHE
P6083
P7129
P4419
P2803
P5769
Atom HA of residue 74
P6714
P7106
P6395
P5527
P0
P7697
P6126
P2247
LYS
P5145
P6465
P8362
ASP
Atom HB1 of residue 28
P8249
P5957
P2186
P7907
ListSingletonContainer202
P7140
Atom CA of residue 26
Atom CG2 of residue 17
P5111
P7839
P1699
P2976
P8059
P8753
P2137
P4411
P6780
Chain A
P3240
P4607
P1606
Multivariate Normal distribution 44
P3951
P6474
P2679
P4571
P5660
P3261
P7767
Atom O of residue 25
P3986
P4612
Atom H of residue 44
P10120
P2953
P4730
P2626
P8457
P7843
P1839
P3646
P6989
P2988
P4342
P2228
Restraint 38
P2485
P4420
P5134
P3778
P11370
P7840
P5869
Atom HE22 of residue 2
P7691
P2169
P6647
ListSingletonContainer203
P6853
P3458
P3975
P6127
P7
P2804
Atom HB3 of residue 51
P7617
P8363
P1700
P7130
P5437
P2416
Atom HG22 of residue 22
Model 302
P6396
P13314
Restraint 145
P5528
P5146
P7844
Atom H of residue 17
P7107
P6466
P6084
P13332
Atom O of residue 23
P8250
Atom OE2 of residue 51
P6715
Atom CB of residue 7
P2650
P2187
P4412
Atom HG2 of residue 64
P7841
Atom CB of residue 25
P7141
P2091
P7908
P10121
P3519
P5112
Atom CA of residue 48
P4572
P2977
P8754
Atom CD1 of residue 62
P2248
P3987
P8060
P142
P5958
P3241
P4608
P5774
Atom HD12 of residue 8
P7692
P6475
P5661
P3262
P6648
P2954
P7698
P3952
P2627
P2
P13333
P3647
P2138
P6781
P2989
P3976
P1607
Atom OG of residue 20
Atom O of residue 26
P6854
P4421
P5135
P3779
P4731
P5870
ILE
P2728
P4476
P7618
P6990
P6085
P3459
P4343
P13315
P7768
P1841
P11371
P6128
Atom HB2 of residue 65
P6716
P8458
P2170
GLY
Atom CB of residue 23
P2229
JeffreysRestraint_P0
P5438
P7846
P7108
Atom CE1 of residue 45
Atom HG23 of residue 22
P7842
P1310
P7131
P6397
P5529
Atom HG3 of residue 64
Atom HG2 of residue 51
P2651
P5147
P2417
P6467
P3520
Atom C of residue 48
P5959
P5770
P3953
P8251
P2249
P4573
P8364
P2486
P3246
P5113
P2188
P7909
P2978
P8755
P7699
P7142
P4413
P1698
P0
P0
Atom O of residue 49
P13334
P8061
P4609
P10122
P6476
P2092
P5662
P6782
Atom H of residue 51
P3988
P1608
P3780
P2955
P4732
P2629
P4990
P7769
P3648
P2139
P7693
P2990
P3460
P4344
P3263
P3977
P6649
Atom O of residue 73
P1315
Atom H of residue 20
P6855
P8459
P4422
P5136
Atom OG of residue 20
Atom CA of residue 53
P11372
P2730
P4477
P7847
P5771
P6129
P5871
Atom CG1 of residue 5
Atom O of residue 16
P143
P8299
P5439
P3521
P6086
P6398
P2487
P2171
P5530
P7619
P3954
P2628
P7132
P6717
P6468
Atom HE1 of residue 45
Atom CG of residue 51
P13316
Atom HG3 of residue 51
P7843
P6992
P2230
P8252
P4574
P7109
P4414
Atom HB3 of residue 65
P7143
P2418
Atom CB of residue 49
Atom C of residue 36
P2729
P3247
P5114
Atom HZ2 of residue 63
P5960
P2617
P2979
P8756
P7700
P7910
P4991
P5148
P2189
P4610
Atom CG2 of residue 66
P3649
P6477
P5663
P8062
P3264
Atom N of residue 65
P6783
P3989
P5772
P10123
P1840
P3781
P2956
P4733
P2250
P2093
Atom CE2 of residue 45
P2991
P4345
Atom CB of residue 73
P6856
LEU
P13335
P5137
P7620
P8300
P5872
P7694
P1739
P4478
P3522
P6650
P3461
Atom O of residue 44
P3978
Atom H of residue 20
P6130
P3955
P4423
P2140
Atom HG of residue 65
P4575
P5440
P13317
P7770
P11373
P1673
P6399
P8460
P2172
P5531
P7845
P6469
Atom HZ3 of residue 63
Atom CG of residue 41
Atom OE1 of residue 2
Atom HD2 of residue 4
P6087
P7133
Covariance1DFunction 39
P8253
P6718
P4415
P145
P7144
P5149
P7110
Atom H of residue 66
P5115
P7844
P2231
P2618
P2980
SER
P8757
P2488
P1741
Atom HG22 of residue 14
P5961
P2419
P7911
P4611
P4992
P10124
P1843
Atom N of residue 53
P7701
Atom CD of residue 51
P6478
P5664
P3265
P1602
P2190
Atom CG of residue 49
P13336
P3245
P8063
P5776
P2957
P4734
Atom HB3 of residue 43
P6784
P7695
P2992
P3979
P6651
Atom CB of residue 15
P6857
P2251
P2094
P3990
P5138
P7771
Atom N of residue 66
P2630
P4576
P4479
P3523
P3650
P6993
P3462
Atom CB of residue 44
P8461
P4346
Atom HG3 of residue 1
P3956
P4424
P2141
P7621
Atom N of residue 64
P5441
P5873
P6088
P6400
P2173
P5532
P1844
P11374
P7702
P6131
P8301
P1674
P2035
P6719
P2731
P6470
P7845
P8254
P2489
P5773
P3782
P7145
P6785
P5150
P13318
Atom HA of residue 66
P5116
P2232
P5962
P2619
SingletonScore 7
P2981
P7111
Atom HG of residue 43
P8758
P1603
P7848
P4416
P2420
Atom N of residue 14
P4612
P6479
P7912
P5665
P4097
P3266
Atom H of residue 2
P4993
P2014
P7134
P3991
P2958
P2287
Atom CA of residue 65
THR
P4735
P8064
P3651
Atom CG of residue 15
P2993
P4347
P2191
P10125
Atom HD3 of residue 63
P5874
P6858
P2252
P2095
P5139
Atom CD of residue 24
P4577
P4480
P1847
P13337
P3980
P3957
P8302
P2631
P7696
P4425
P7772
P6652
Atom HA of residue 32
Atom HZ2 of residue 11
Atom CG1 of residue 44
P5442
Model 262
P3524
P2036
P3463
P6401
P1738
P5533
P3783
P7622
P7703
P6132
Atom NH2 of residue 128
P1671
P13319
P2732
P6471
P11375
P6994
P8462
Atom CB of residue 16
P8255
Atom CB of residue 41
P6786
P6089
P7135
Atom CA of residue 14
Atom C of residue 65
Atom CB of residue 20
P5123
Atom HD2 of residue 4
P6720
P2620
P2982
P4098
P2174
P8759
P1595
P2142
JeffreysRestraint_P0
P3992
P7112
P4417
P10126
P1315
P7846
P2233
P5151
P7849
Atom CD2 of residue 8
P4613
ListSingletonContainer204
P7146
P6480
Atom H of residue 12
P5666
P3268
P5963
P7913
P4994
P2959
P4736
P7697
P2421
P5775
P6653
P6511
THR
P2994
P2192
P13338
P8065
P3981
Atom HD12 of residue 43
P1842
P6859
P4426
P5432
P5140
Atom HB2 of residue 32
P2490
P4578
P4481
P3525
Atom CA of residue 66
P3464
P4348
P7773
P3652
P6133
P2632
P5875
P1742
P2
Atom HB of residue 66
P5117
P7623
P6995
P6090
P8463
P2096
P5443
Atom CA of residue 5
P3267
Atom H of residue 65
P6402
P2253
P6721
GeneralizedGuinierPorodFunction 16
P5534
P3784
ListSingletonContainer212
P7704
P3958
Atom H of residue 6
P2733
P6472
P7847
Atom CG of residue 16
P11376
P8303
Atom N of residue 129
P1678
P8256
P4418
P6787
P7136
JeffreysRestraint_P0
P5964
P2621
P2983
P2175
P8760
P1596
Atom CE1 of residue 59
P13320
P3993
Model 24
P5152
P7113
P4614
P7147
P6481
P7850
P5667
P2234
P1999
P10127
P5
P1845
P2960
P2143
P4737
Atom OE1 of residue 24
P7914
P5435
P4995
P6512
P6996
Atom C of residue 11
P2995
P3465
P2491
P4349
P2193
P2549
Model 239
P3982
Atom HG of residue 65
P3653
Atom HG21 of residue 3
P6860
P8066
P5141
P5118
Atom HG13 of residue 13
P4579
P2422
P4482
P3526
P2286
P6654
P3785
P6134
P3959
P2633
P3
P2097
P4427
P5444
P13339
P8304
P5876
P6403
P2254
P5535
P7705
P1743
P2734
P6473
P2239
prior
P6091
P7698
P1846
P159
P7624
Atom HD2 of residue 59
P1679
P8257
P6722
P13321
Atom HA3 of residue 47
P7774
P11377
P6788
P8464
P5777
P7848
Atom C of residue 66
P2622
P2984
Atom HA of residue 65
P8761
Atom N of residue 26
P7137
P3994
P4419
P6997
P5965
P5153
P4615
P6482
P5668
P7114
Atom HZ2 of residue 48
P3269
Atom CA of residue 26
P7851
P3786
P2961
P4738
P7148
P2176
P6513
P2000
P2996
P3466
P7915
P4996
Atom H of residue 52
P10128
P2335
P2144
Atom NZ of residue 48
Atom CE2 of residue 59
P6861
P5142
P3
Atom HG23 of residue 22
P1597
P5119
Atom HB3 of residue 6
P4580
P13340
P8067
P4483
P7138
P4350
P2194
P5378
P3983
P3654
P7625
P6135
P3960
P2634
P5877
P7699
P2492
P4428
P6655
P5445
P2423
Atom OE2 of residue 24
P2550
P7775
P3527
AngleSingletonScore3
Atom O of residue 13
P2334
P6404
P2098
P5536
P8465
P2735
P6474
P1740
P7706
P8258
P2255
P4420
Atom C of residue 26
P6092
Atom HA of residue 6
P5778
P11378
ListSingletonContainer215
P8305
P1675
P6723
P2623
P5
P2985
Atom HZ3 of residue 48
Atom N of residue 48
P4
P8762
P6789
P7849
P6998
P5154
P4616
P7149
P6483
P13322
P5669
P2354
P5966
P3995
Model 78
P7115
P10129
P3787
P2962
P4739
P7852
P2177
P6514
P2997
P4351
P3270
P3984
P3655
P2145
P6862
P4429
P7916
P5143
P4997
P5125
P4484
P6656
Atom HB2 of residue 65
Atom O of residue 66
Atom HE2 of residue 48
Atom CZ of residue 59
Model 406
P7139
P5379
P8068
Atom N of residue 23
P165
P2635
P7700
P1848
Atom CB of residue 72
Atom CB of residue 13
Restraint 39
P2001
P4581
P5446
P1446
P3528
P1598
P3467
P6405
P2493
Atom H of residue 47
P5537
P7626
P7707
P3961
Atom HD21 of residue 8
P6
P2551
P2736
P13341
P6475
P8306
P5878
P6093
P2099
P2195
P2424
Atom CB of residue 52
P6999
P8262
P6724
P4421
P2236
P6790
P5779
P7850
P1676
P1744
P2624
P13323
P2986
P7776
P11379
P8763
Atom H of residue 48
P2256
P8466
Atom CB of residue 66
Atom HD12 of residue 3
P5967
P5155
Atom N of residue 49
P4617
P5215
P6484
P5670
P3656
P3996
P3788
P2963
P4740
P7116
P1458
Atom OH of residue 59
Atom CG of residue 43
P2998
P7853
P3985
P7150
P6863
P4430
P5144
P6515
P4582
P7917
P2552
P4485
P3271
P4998
P10130
P3529
P2146
P5879
Atom HG1 of residue 14
P8259
P7140
P3468
P4352
P5380
Atom CE of residue 48
P2636
P8069
P2178
Atom CG of residue 72
P2002
P5447
P7701
P6406
P1745
P5538
P2288
P6657
P7708
P3962
P2737
P6476
P7777
P1599
P2100
P3
P7627
P7000
P2494
P8467
P4422
Atom H of residue 3
P6791
Atom N of residue 10
P2196
P1459
Atom CG of residue 52
P2237
P2625
P0
P2425
P2987
P8764
P6094
P11380
P8307
P6725
P5156
P4618
P6485
Atom C of residue 40
P5671
P10131
P7851
P2257
GLN
P2964
P4741
P7702
P13324
P4
P6516
P8260
P2999
P5968
P13342
P7117
P3986
P3657
Atom C of residue 31
P1677
ILE
P6864
P1746
P4431
P7854
P3997
P5145
P3789
P6658
Atom O of residue 65
ListSingletonContainer214
P7151
P1524
Atom CD1 of residue 43
P4583
P3272
P5780
P7141
P3469
P4353
P7918
P5381
P4999
P5121
Atom OG1 of residue 66
P2637
P2179
P2147
P5448
P8070
P4486
P3530
P5880
P6407
P5539
Atom C of residue 72
ILE
P7628
P3963
P6095
GLY
P2553
P2738
P6477
P1444
Atom N of residue 4
P6726
P2101
P13343
Atom HB3 of residue 1
P7003
P1
P4423
P1600
P7852
P8308
P6792
P2003
Atom C of residue 50
P2626
P2988
P5677
Atom CD2 of residue 73
P2289
P8765
P164
P5969
P2197
Atom O of residue 40
P5781
P1681
P5157
P13325
P2426
P4619
P7778
P11381
Atom CA of residue 15
P6486
P8468
P3658
Atom O of residue 31
P3998
P3790
P2965
P7703
P6517
P7712
P7001
P8261
P3000
P3470
P4354
P10132
Atom O of residue 42
Atom CG2 of residue 66
Atom CB of residue 22
P6865
P2258
JeffreysRestraint_P1
P7118
P5146
P1445
GeneralizedGuinierPorodFunction 28
P1614
Atom O of residue 72
Atom CB of residue 65
GLU
P4742
P1505
Atom CB of residue 43
Atom HA of residue 9
P4584
P7855
P4487
P3273
Atom CD of residue 2
P7152
P2495
P5382
P5122
P3964
P2638
P4432
P7919
P2554
P6659
P7142
P5449
P13344
P3531
P6408
P8071
P5540
P3987
P2148
P2739
P6478
P1605
P5881
P8766
P5678
P2180
P4424
P7779
Atom HA of residue 21
P6096
P2004
P5000
P7629
P7709
P6727
P8469
P2627
P2989
P2198
P5782
P7853
Restraint 128
P5158
P2102
P4620
Atom H of residue 73
Atom CD1 of residue 30
P1682
P6793
P6487
Atom O of residue 50
P11382
P3659
P4990
Atom H of residue 66
P1
P8309
Atom N of residue 36
P5970
P2966
Atom C of residue 34
Atom HZ1 of residue 11
P6511
P7704
P2427
P3999
Atom C of residue 58
P2290
P6518
P7002
P8393
P3001
P3
P6866
P2496
P13326
P5147
Atom C of residue 13
P3791
P4743
P4585
P7119
P1410
P4488
P3274
P10133
Restraint 78
P7143
P4355
P7856
P5383
P3988
P5216
P7153
P2639
P1510
P2259
P4433
P5450
P7920
P5001
P3532
P1606
P7630
P7710
P5882
Model 181
P6409
P5541
P6660
P3965
P2563
P2740
P8072
P6479
SER
Atom CG of residue 73
P1617
P8767
P2149
Atom CA of residue 16
P4425
Atom OG of residue 65
Atom CA of residue 6
GLY
P13345
P1411
P168
Atom HB3 of residue 11
P3471
P2990
P2181
Atom HB of residue 66
P8310
P6097
P5783
P4991
P2005
P5159
P2103
Atom N of residue 8
P4000
P5675
P4621
P7711
P6794
P8394
P6488
P2628
Atom CB of residue 50
P7854
P13327
P7780
P3792
P2967
P1
P6512
P7705
P8470
P2555
Atom O of residue 58
Atom OE1 of residue 41
P3002
P5971
P10134
Atom HB3 of residue 2
P5217
P3660
Atom O of residue 34
P6867
P1412
P2291
P4744
P6728
P4586
P2199
P2428
P4489
P3275
P7144
P4356
P7120
P5384
P6519
P2640
P1512
P7857
P6661
P11383
P7154
P2497
Atom HA of residue 38
P4434
P5451
P5002
Atom CD1 of residue 73
P3533
P1900
P6410
P7921
P5542
P3989
P3966
P1680
P2260
P2741
P13346
P5148
P6480
Atom C of residue 124
P3472
P8073
P1579
P2150
P7631
Atom HG1 of residue 66
P7004
P1438
P5883
P6098
P5676
P2186
AngleSingletonScore9
Atom CE1 of residue 68
P7781
P6
P8768
ListSingletonContainer217
P4992
P4426
P5784
Atom HD3 of residue 11
P7855
P8471
P5160
P2556
P4001
P4622
P1604
P6489
P6729
Atom CA of residue 47
P2629
P2991
Atom OE1 of residue 31
P5972
P1
P2968
P1442
P6513
P6795
P1618
Atom CG of residue 58
Atom CG of residue 50
P11384
P8311
Atom CG2 of residue 9
P3003
Atom O of residue 31
P3661
P2006
P6868
P7706
P2104
P4655
P3793
P2292
P4745
Atom NE2 of residue 41
P8265
P4587
P3276
Atom CA of residue 60
P1901
P7145
P13328
P5385
P3990
P6520
P2641
Atom N of residue 69
P2429
Restraint 56
P7121
P5149
P10135
P5884
P2498
Atom HB2 of residue 38
P4435
P5452
P7858
P4490
P1580
P3534
P5126
P7155
P1508
P6411
P4357
P2200
P3333
P3073
P5543
P1443
P3967
P7922
P2742
P6481
P5003
P3473
P2557
P2244
P6662
P2151
P7005
P1681
P8074
P1378
P7
P7713
P2261
P7632
Atom HG21 of residue 66
P2630
P8769
P13347
P4427
P166
P4993
Atom NE2 of residue 68
P5161
P4004
P4623
P8312
P6796
P6099
P6490
P2992
P5785
Atom C of residue 60
P1444
P6730
Atom C of residue 13
P5004
P3794
P2969
P8233
Atom HD12 of residue 15
P6514
P7707
P1619
P4656
P10136
Atom NE2 of residue 31
P11385
P7856
P2
P3004
P13329
Atom CB of residue 31
P3991
P7782
P3662
P6869
P8472
P2105
P4746
P8266
Atom N of residue 47
P5973
P4588
P4491
P3277
P1581
P3535
P1899
P2007
P2499
P4358
P5386
P6663
P2642
Atom N of residue 42
P4436
P3334
P3075
P5150
P3474
P5453
P7122
P6521
P5127
Atom HA of residue 16
P6412
P7859
P1379
Atom O of residue 13
P5544
P2293
P3968
P7156
P7146
P2430
P4002
P2743
P6482
P5885
P2201
P7923
P7633
P7006
P1509
P1683
P6100
P13348
P4428
P8232
Atom HE3 of residue 11
Atom HE21 of residue 40
P8075
P2631
P2558
P2993
P8770
P7857
JeffreysRestraint_P0
P5786
P7714
P3
Atom CD2 of residue 68
P2262
P5162
P4624
P7783
Atom CA of residue 32
P2152
P4994
P6491
P5974
P1929
P6731
P8473
P5005
P4747
Atom HD13 of residue 15
P7708
P4657
P1582
P3475
P4359
P3663
Atom O of residue 60
P6515
P6797
P6870
P4437
P3795
P2970
P11386
Atom HG22 of residue 66
P8313
P8267
P4589
P4492
P3278
P2185
P10137
P2008
P3005
P5387
P1380
P6522
P2643
P1739
P1581
P5454
P13330
P3536
P5128
P1434
P6413
P2500
Atom HG3 of residue 49
P2106
P7123
P5545
P6664
P3969
P7147
P7860
P2744
P5151
P6483
ListSingletonContainer216
P7157
Atom HB2 of residue 16
P2202
P2559
P3157
P3060
Covariance1DFunction 80
Atom CD of residue 64
P2294
P7007
P7924
P11387
P1930
P5886
P4003
P1583
ASN
P0
P2632
P2994
P8076
P3992
P8771
P6101
P4429
P5787
P7634
P7715
P6798
P5163
P2431
P4625
P2153
P6492
P13349
P4995
P7858
P1677
Model 57
Atom HA of residue 28
P5006
Atom HG23 of residue 66
P8314
Atom HB3 of residue 40
P6516
Model 357
P4658
P3006
P6732
P4360
P1381
P167
P3664
Atom HG21 of residue 13
P6871
P2263
P4438
P3796
P2971
P4748
P8268
P4590
P13331
P4493
P3279
Atom HB3 of residue 31
P7784
P1435
P3476
P8474
P5388
Atom OE1 of residue 64
Atom HZ1 of residue 11
P2644
P2501
P10138
P1584
P5455
P0
P3537
Atom HB3 of residue 40
P5129
P6414
P1741
P5975
P5546
P3970
P2745
P7124
P5152
P6484
P6523
P7635
P5887
P2009
Atom HE21 of residue 49
P2107
P7861
P3158
P3061
Atom HB of residue 5
P3993
P2295
P6665
P7158
P7008
P7148
P7712
GaussianProcessInterpolation23
P11388
P7716
P2203
P7925
P6493
P2633
P2560
P2995
P13350
P1382
P8772
P1582
P6733
P8077
P4430
P5788
Atom N of residue 67
P5164
P4626
Atom HB3 of residue 54
P6102
P4005
Atom CA of residue 14
P5007
P7785
P1585
P2972
P4996
P6517
P6799
P2432
P4659
P7859
P1436
P1678
P3007
P3477
Model 228
P8475
Atom HZ2 of residue 11
P3665
P6872
Atom ND2 of residue 74
P3797
P2154
P4749
P8269
P5976
P4591
P4494
P3280
Atom HG3 of residue 31
P10139
P3538
P6524
Atom HG21 of residue 14
P7709
P4361
P5389
P1750
P3971
P8315
P2645
P2264
Atom HG3 of residue 40
P5456
P0
P1383
Atom OE2 of residue 64
P5130
P1732
P6415
P5547
Restraint 8
P1902
P7149
P2746
P5153
P6485
P1
P1738
P3159
P3062
P7125
P7009
P2502
P7862
Model 100
P4431
P1586
P11389
P7159
P1324
P2010
Atom OG1 of residue 14
P3994
P7636
P7717
P1437
Atom HG2 of residue 54
P6494
P2634
P7926
P2561
P2996
P8773
P5888
P6103
P1583
P2108
P2204
P4439
P6666
P5165
P8078
P4627
P1734
P4008
ListSingletonContainer218
P3666
P7860
LEU
P7710
Atom HG2 of residue 49
P6734
Atom N of residue 75
P3798
P2973
P2296
P6518
P13351
P1384
P5789
Model 418
P4997
P1752
P1679
P1
P3478
P5008
P8316
P1325
P6800
P6873
P4750
Atom HB2 of residue 40
P8270
Model 323
P5977
P4592
P2433
P4495
P3281
P4660
P3539
P3008
P5390
P1587
P2646
P2265
P7786
P8476
P5457
P4006
P6525
P5131
P7711
P6416
P4362
P5548
P10140
P3972
P5889
P2747
P5154
P6486
P1326
P171
P2212
Atom HG3 of residue 54
P3160
P3063
P4440
P7126
Atom HB2 of residue 31
P4432
P11390
Atom CA of residue 45
P2011
P7863
P1385
P6667
P7718
Atom CD of residue 7
P7160
P7150
P6495
P1742
P2635
P2997
P8774
P1903
P7010
Restraint 55
P3995
Atom HA2 of residue 10
P7637
P1577
Covariance1DFunction 11
P5166
P13352
P4628
P1584
P2205
P2562
P8079
P1588
P5009
P2974
P6801
P6104
P2503
P2109
P5790
P4661
Atom H of residue 64
P3009
P3479
P6735
P7787
P3667
P4998
P6874
P7927
P1
P10141
P3799
P7861
P4751
P8271
P8477
P4593
P4496
P3282
P2297
P6519
P4363
P5391
P3973
P2647
Atom N of residue 45
P5978
P4441
P1386
P2266
P5458
P2434
P3996
P3540
P5132
P8317
Atom HB2 of residue 54
P6417
Atom C of residue 1
P5549
P1680
P2748
P5155
P6487
P6526
P4007
P3161
P3064
P1589
P7011
P1748
P5890
P7127
GLY
P6668
P7638
P7719
P6105
P6496
P2636
P7864
P2579
P2998
P11391
P8775
P7161
P1725
P7151
Atom OE2 of residue 24
P4433
Atom CG2 of residue 36
P169
P1928
P5167
P7928
P4629
P7862
P1743
P5979
Atom N of residue 11
P6736
P1697
P8080
P1387
P5010
P3800
P2975
P2157
P1578
P1585
P2206
Atom HA of residue 66
P2012
P3010
P3480
P4364
Atom HA of residue 36
P3997
P3668
P6875
P2110
P13353
P5791
P4999
P4752
P8272
P7713
P4594
P4497
P3283
P4662
P8318
P6520
P6802
P5392
P3974
P2648
P10142
P2298
P1751
P1590
P3541
P6527
P170
P5133
P6418
P2504
P5550
P7788
P1684
Atom CD of residue 27
P8478
P2435
P2749
P8214
P5156
P6488
Atom C of residue 35
Atom HG3 of residue 1
P3163
P3065
P1388
Atom CD1 of residue 36
Atom O of residue 10
P11392
P1740
P4442
Atom HB of residue 36
P7720
P6497
P2637
P5459
P2999
P7128
P8776
P1963
P5891
P7012
P2267
P7865
P6669
P7162
P7152
P5168
P7929
P4630
P4434
P1726
P6106
P5980
P4009
P2158
P7639
P6803
P13354
P5011
P3801
P2976
P1573
P2207
P3162
P8081
P5792
P4663
P7863
P3011
P3481
P1701
P2564
P3998
ARG
P3669
P6876
P1586
P2111
P1754
P1316
P4753
P1689
P8273
Atom CE of residue 27
P6737
P4498
P3284
P7789
P1591
P3542
Atom N of residue 12
P4365
ALA
P5393
P1389
Atom HA3 of residue 76
P2649
P2013
P2505
P8479
P6521
P7714
P6670
P5134
P6419
Atom H of residue 24
P5551
P10143
P2299
P3975
P8460
P4443
P2750
P5157
P6489
P8319
P5460
P3066
P5000
P7013
Atom CD2 of residue 68
Atom H of residue 10
P6528
P11393
P7640
P5892
Restraint 116
P2436
P8215
P6498
P2638
P3000
P8777
P7129
Atom HG12 of residue 36
Atom CA of residue 35
P1350
P7721
P5169
P7866
P4631
P1592
P1904
P7163
P1727
P7153
P2268
P6738
P5981
P1693
P4010
P1390
P155
P3670
P7930
P2977
P4754
P6107
P2208
P4435
P0
P3012
P3482
P1750
P4366
Atom CA of residue 42
P8082
P3999
P1574
P6804
P6877
P3802
P7864
P8274
P4444
P4499
P3285
P5012
P4664
P3543
P6522
P1587
P2112
P2565
P13355
P5394
P5793
P5001
P3976
P2650
P1682
P2014
P10144
P6529
P8320
P7715
P6671
P5135
Atom H of residue 68
P6420
P7931
P5552
P2300
P1755
P2751
P5158
P6490
Atom H of residue 36
P1593
P2506
P2359
P5461
P3067
P1391
Atom C of residue 15
P7790
P7014
P8480
P8461
P8201
P7722
P6499
P2639
P3001
P8778
Atom CG2 of residue 26
P7641
P5170
P2437
P3164
P7130
P4632
P4436
P5893
P6108
P2269
P5982
P7867
P4011
Atom CZ of residue 42
P7164
P7154
P3803
P2978
P11397
P1905
P7865
P3013
P6739
P1751
P4367
P2566
P13356
P3671
P6878
P8083
VAL
P4755
MolecularDynamicsMover6
P8275
P7716
P4445
P1694
P1392
P4500
P3286
P5013
P4665
P6805
P3483
P1588
P5395
P4000
P5002
P1756
P2651
P1728
P2209
P5794
P7791
P1594
P2113
P3544
P6672
P5136
P1587
P6421
P8481
P7932
P5553
P3977
P6523
P8462
P2752
P5159
P6491
P6530
Atom HA of residue 68
P2015
P3068
P10145
P154
P5894
P7019
Atom H of residue 26
P2507
Atom O of residue 7
P8321
P8202
P2301
P7723
P6500
P2640
P5462
P3002
P8779
P4437
P2360
P5171
Restraint 146
P2438
P3165
P1393
P4633
P11394
Model 383
ModelScoringFunction12
P4012
P7131
P3672
P7642
P7868
Atom HD2 of residue 29
Atom CZ of residue 74
P1595
P3804
P2979
P4756
P7165
P7155
P5983
Atom N of residue 23
P3014
P1744
P4372
P4001
P6806
P6109
P6879
P1906
P6524
P8276
P2270
P6740
P4446
P1695
P8084
P4501
P3287
P4666
P3545
P7015
P7717
P3484
P1589
P2567
P5396
P5554
P10146
P7866
P2210
P5014
Atom HE22 of residue 2
P13357
P2253
P5795
P6673
P5137
P5003
P6422
P7933
Atom HE22 of residue 41
Atom SG of residue 115
P3978
P8322
P2114
P2753
P5160
P6492
P1394
P2675
P1729
P2016
P3069
P11395
Atom HB3 of residue 18
P1753
P3458
P4438
P1596
P2302
P6531
P8203
P7792
P7724
P6501
P8482
P2641
P4368
P5463
P3003
P8780
P8463
P7643
Atom CE1 of residue 68
P6110
P5172
P3166
P4634
Atom HD2 of residue 74
P5004
MD 6
P2335
P5984
P4013
P3673
P2508
P7132
P2980
P7867
Atom HD13 of residue 13
P2439
P7869
ILE
P7156
P3015
P6741
P1745
P2568
Atom HD3 of residue 29
P4002
P1576
P5895
P6880
P3805
P8277
P2271
P4447
P13358
P4502
P3288
P5015
P4667
P3546
ListSingletonContainer210
VAL
P7718
P3485
P5397
P8085
Atom HA of residue 31
P5555
P11396
P3979
P1907
P6493
P1395
P3459
P2676
P6525
P6807
P5138
P7166
P7016
P6423
P1590
P7934
P5796
P10147
P7793
P1597
P2211
P2754
P5161
P6674
P6532
P8483
P3070
P2115
P8464
P4439
P4757
P1730
P2017
P6502
P2642
P5464
P3004
Atom CD of residue 74
P2303
P8781
P8323
Atom N of residue 116
P157
P1760
Atom HE21 of residue 31
P5173
P1700
P3167
P8204
P4635
Atom HB3 of residue 42
Model 263
P5005
P5896
Atom N of residue 14
P2509
P5985
P4369
P4014
P7725
Atom C of residue 17
Atom C of residue 76
P2981
P6111
P7133
P7644
P6808
P3016
P7870
Atom HB2 of residue 31
P1598
P3674
P1439
P7167
P6881
P7157
P2336
P1396
P3806
P7868
Atom CG of residue 68
P8278
P4448
P2440
P4503
P3289
P4668
P3547
P2655
P7017
P1735
P7719
P2569
P5398
P4003
P3486
P6742
P6494
Atom HD2 of residue 33
P2272
P3071
P6675
P5139
P6424
P5556
P2196
P5016
P3980
P6526
P2755
P13359
P5162
P5797
Atom HZ3 of residue 11
P0
P7935
Atom CB of residue 5
P10148
P1908
P8324
P2116
P158
P8086
P1591
P2643
P4370
P5465
P3005
P1599
P6533
P8782
P7645
P2018
P2212
P1397
P7794
Atom HG1 of residue 12
P8484
P5174
P3168
P2
P8205
P4636
ARG
P2304
P11398
P5006
P5897
ModelScoringFunction25
P6503
P5986
P8465
Linear1DFunction 28
Atom CB of residue 31
P7726
P4758
Atom HE22 of residue 31
P1736
P3456
P3807
P2982
P2510
P6743
Atom CA of residue 32
P3017
Atom NE2 of residue 41
P2570
P4015
P3675
P7168
P2656
P7018
P6112
P6882
P7871
P8279
P7158
P4449
P3076
Atom HG3 of residue 31
P4504
P3290
P4669
P6809
P7720
P2337
P5399
P4004
P4440
P7869
P3981
P13360
P6495
Atom HD3 of residue 33
P6527
P2441
P1698
P8087
Atom OD1 of residue 103
P1600
P3548
P6676
P5140
P6425
P7936
P7134
P1398
Atom C of residue 2
P5557
Atom CB of residue 74
P10149
P6534
P3487
P2756
P5163
P5017
P2273
P2197
P5798
P7795
Atom O of residue 11
P2117
P4371
P8485
P11399
P1909
P2644
P8466
P5466
P3006
P8783
Atom HG21 of residue 12
P1592
P5175
P3169
P8206
P4637
P3461
P2305
P3334
P5007
P8325
P2019
P6504
P2
P2213
P4016
P3676
Atom CG of residue 31
P7646
P4759
P2983
P5898
P6113
P1494
P2
P4670
P1601
P156
P7727
Atom H of residue 14
P3018
P1699
P3151
Atom CB of residue 7
P4005
P4441
P6883
P5987
P7135
P3808
P7870
P8280
P2511
P6744
Atom N of residue 42
Atom HG2 of residue 16
P7169
Atom C of residue 32
P7159
P6426
P2571
P5400
P1399
P3982
P3488
P6496
P6810
P7721
P0
P2338
P4450
P8088
P3291
Atom ND2 of residue 103
P3549
P6677
P5141
P7937
P5558
Atom HE3 of residue 33
P3335
P1
P2442
P2757
P5164
P4505
Atom CA of residue 1
P7872
Atom HG13 of residue 70
P2198
P5018
P5899
P6528
P1733
P13361
P5799
P6535
P4760
P7020
Atom CB of residue 18
P3
P1495
P10150
P1602
P2
P7170
P8326
P2274
Atom H of residue 41
P2645
P5467
P3007
P8784
Atom HA of residue 14
P3462
P1910
P1593
P5176
P3170
P8207
P4638
P2306
P2020
P6509
P2118
P2214
P1400
Atom CD2 of residue 34
P7796
P7728
P8486
P2984
P5008
P8467
P7647
P3019
P2572
P4017
P4006
P4442
Atom CB of residue 28
Atom O of residue 1
P3677
P6884
P5988
P4373
P7136
P3809
Atom HG22 of residue 3
PRO
P8281
P4451
P3292
P4671
P3550
P8327
P6811
P6114
P7722
P3490
P6427
P7873
P5401
P3983
P6529
P7160
P6745
P3074
P1496
P6497
P1603
P2339
P10151
Atom HG1 of residue 66
P11400
P5142
P7871
OptimizerState 6
P7938
P13362
Atom O of residue 10
P5559
P4761
P2758
P8089
P5165
P4506
Atom N of residue 13
P2512
P1401
P5900
Atom HH21 of residue 72
Atom CB of residue 14
P5019
Atom CE1 of residue 34
P6678
P7021
P2443
P5800
P7797
ILE
ListSingletonContainer211
P7171
P3489
P2646
P5468
P3008
P6536
P8785
Atom CG of residue 18
P8487
P3460
P5177
P8468
P3171
P8208
Model 129
P5009
P2021
P6510
P2275
P5
P2119
P4443
P7648
P1911
P6115
P8090
P2199
P1604
P3810
P2985
P4639
Atom HG21 of residue 70
P3020
P4018
P11401
P3678
P6885
P1594
P4374
P1489
P2307
P8282
P6746
P2215
P4673
Atom CA of residue 91
Atom H of residue 28
P3249
P4762
P7723
P6428
P5989
P7874
P2573
P7137
P5402
P4007
P160
P3984
Atom HG13 of residue 5
P6498
P2546
Model 182
P7161
P4452
P1402
P3293
P5143
Atom N of residue 73
P5560
P3551
P7872
P6530
P6812
P2340
P2759
P5166
P4507
P7729
P10152
P5901
Atom N of residue 14
P4444
P1605
P6679
P6537
P7022
Atom HD13 of residue 13
P7939
P2812
P5020
P4672
Atom HA of residue 6
P7172
P2647
P5469
P3009
P13363
P7138
Atom HG22 of residue 70
P8786
P3
GaussianProcessInterpolation64
P6507
P5178
P2444
P3172
P8209
SER
P5010
JeffreysRestraint_P0
P3500
Atom C of residue 38
P1912
Atom CD2 of residue 4
Atom O of residue 66
P8091
P1490
P2986
P7730
P2276
P2513
P1403
P4640
P7798
Atom HG21 of residue 66
P161
P2022
P3021
P3491
P8488
P2120
P2574
P4019
P4008
P5801
P11402
P3679
P6116
P6886
P5990
P8469
P4375
Model 240
P3811
P2308
P7649
P2614
P6813
P8283
P3294
P2200
Atom CZ of residue 68
P4763
P7724
P6429
P1595
P5403
P1606
P3985
ListSingletonContainer11
P2216
P6499
P4453
P7875
P5144
P3250
Atom HB2 of residue 62
P7162
P6747
P5561
P3552
P7873
Atom CA of residue 14
Atom NH1 of residue 61
Atom N of residue 9
P2760
P5167
P4508
LEU
P13364
P5902
P6531
P4
P2341
SingletonScore 8
P4445
P7023
P7940
P2813
P1404
P10153
Atom CA of residue 38
P7173
P2648
P5470
P3010
P7139
Atom HA of residue 70
P5021
P6680
P8787
P1491
P5802
P7799
Atom HB2 of residue 6
P1316
P6508
P2514
P5179
P7876
P3173
P4641
P3501
Atom OE2 of residue 16
P6538
P5011
P7650
P1607
P3680
P8470
P2445
P8092
P2987
P7732
P1913
P3022
P3492
P4020
ALA
Atom CD1 of residue 45
P6887
P6748
P3813
P1542
P4764
P2651
P8284
Atom O of residue 20
P4454
P3295
P11403
P3251
P6117
P6430
P1596
P2575
P5404
P4009
Atom HG23 of residue 66
P4376
P2217
P6500
P1405
P2201
P1920
P6814
P2023
P3339
P2277
P5991
P2121
P4674
P3553
P5145
P7874
Atom C of residue 9
Atom HB3 of residue 28
P5562
P2309
P3986
P6532
P7163
P7725
P2761
P5168
P4509
Atom HH22 of residue 72
Atom HB3 of residue 62
P2654
P10154
P6539
P1492
Atom ND2 of residue 37
P4446
P3812
P6681
P162
Atom HZ1 of residue 11
P7024
P0
P2814
P5903
P2342
P5471
P3011
P7140
P1608
P8788
P7941
P5022
P5803
Atom HB of residue 70
P7174
P5180
P7877
P3174
P13365
P4642
Atom HB3 of residue 6
Atom CA of residue 28
Atom CD2 of residue 45
P3340
P8093
P1406
Atom CA of residue 52
P2988
Atom C of residue 43
P7733
Atom CB of residue 20
P3463
P7651
P3023
P5992
P2576
P4021
P1499
P4010
P11404
P3681
P5012
P6118
P6888
P2515
P4377
P2446
Atom N of residue 29
P7800
P4765
P1914
P8285
P4455
Atom HD12 of residue 15
P3296
P3554
P3252
P6431
P8471
P5405
P2584
P6749
P6501
P2202
P1315
P1545
P2024
P1609
P5146
Atom HG11 of residue 70
P7875
P3493
P5563
P2310
P3987
P6815
P7726
P2122
P2762
P5169
P4510
P4675
P163
P7164
P2278
P2675
P5904
P1407
P4447
P7025
Atom HG2 of residue 62
P1597
P7942
P13366
P2815
P7175
P6533
P2218
P5472
P3012
P7141
P6540
P8789
P8212
P10155
P2343
P5181
P7878
P3175
P4643
P5023
Atom HB of residue 66
P6682
P1324
P3341
P4022
P5804
P7801
P3682
LYS
P2989
P4766
Restraint 121
P1505
P3024
P8472
P8094
P1415
P5013
P7731
P6889
P4378
P3464
P7652
P8286
P3297
Atom C of residue 52
P3253
P6432
P5993
P2577
P5406
P4011
P1915
P2585
ListSingletonContainer9
Atom CG of residue 45
P6502
P4676
P3814
P11405
P1344
P6816
P6119
P4457
P5805
Atom HB3 of residue 46
Atom CG of residue 40
P5147
P6534
P2516
P6750
P5564
P1610
P3988
P1
P2123
P2447
P2763
P5170
P4511
P10156
P1546
ListSingletonContainer213
P7876
P3494
P2203
P6683
P5905
P7165
P7727
P4448
P7026
P2025
Atom OG1 of residue 12
P2652
P2816
P8213
P7176
P2279
P5473
P3013
P2311
P8790
Atom HG3 of residue 62
Atom CB of residue 70
P1346
P4990
P2344
P5182
P4456
P7879
P3176
P7142
P4644
P3555
P6541
P3342
P1598
P7943
Atom N of residue 94
P1462
P5024
Atom HA of residue 70
GeneralizedGuinierPorodFunction 12
P2219
P13367
P8095
P2990
P1440
P4677
P7653
P6120
P3025
P2578
P4012
P3683
P7734
P4379
P3465
Atom HG2 of residue 6
P4767
P8287
P1497
P3298
P3254
P5014
P7877
P6433
Model 358
P5407
P7802
P1916
P2586
P6751
Atom O of residue 52
P1
P1556
Atom HD3 of residue 74
P3495
P2517
P5994
P8473
P4
P1465
P5806
P1543
P11406
Covariance1DFunction 12
P5565
P1611
P3815
P3989
Atom HB1 of residue 46
P6890
P7728
P2764
P5171
P6503
P1442
P4512
P2204
P144
ModelScoringFunction24
P4991
P4023
P5906
P6535
P6817
P4193
Atom N of residue 47
P1319
P7027
Atom CG1 of residue 70
P2653
P2448
P2817
P10157
P3556
P7177
Atom HG22 of residue 5
P3343
P5474
Atom HG13 of residue 44
P3014
P7143
P6684
P6542
P8791
P5148
P2026
P2124
P13368
P4449
P4
P2345
P5183
P3177
P1498
P4645
P2312
P2280
P2220
P7880
P7944
P8096
P5025
P2991
P7735
P0
P7166
P1599
P4678
P7803
P3026
P4013
P5015
JeffreysRestraint_P1
P4380
P3684
P4768
P8288
P8474
P4458
P1413
CYS
P3299
P3255
P6121
P3496
P5995
P5408
P3816
P7654
P2587
P6818
P1311
P6891
P2518
P1466
P1544
P5807
P7878
P6434
P4194
P5566
P11407
P3990
P1917
Atom HG21 of residue 44
P2651
P2765
P5172
P6504
P4513
Atom C of residue 40
P4992
P6752
P3466
Covariance1DFunction 64
P5149
Atom HH12 of residue 74
P2205
P4450
P7028
P3344
P2818
P3557
P6536
P7167
P5475
P3015
P4024
P7144
GLY
P8792
Atom H of residue 70
P2027
P1644
P10158
Atom O of residue 57
P5907
P6
P5184
P2449
P7881
P3178
P1414
P4646
P6685
P2125
P7178
Atom HB2 of residue 42
P8097
P1619
P3817
P2992
P6543
P7655
P7945
P1457
P5026
P4679
P1547
P7729
P3497
P2281
P2221
P13369
P4014
Atom O of residue 65
P2313
Atom C of residue 4
P1551
Atom O of residue 45
P1431
P1600
P2346
P4769
P8289
P3300
P3256
P7736
P6435
P6753
P5409
P3991
P2588
P6892
P3027
P4381
P2652
P1439
ListSingletonContainer205
P3685
P5016
Atom HB2 of residue 2
P6122
P3
P5808
P7804
P5567
P6819
P5996
P8475
P2766
P4109
P5173
P6509
P4514
P1645
Atom CB of residue 55
P3558
P11408
P7879
P7730
P4459
P4025
P5150
P1918
P6537
Atom HG12 of residue 44
P7029
P4993
P3345
P2519
P2819
P10159
P1550
P6544
P3
Atom HH21 of residue 74
Atom CA of residue 47
P7168
P5476
P3016
P7145
Atom HB3 of residue 18
P2206
P6686
P8793
P1434
P3467
P4451
P5908
P5185
P7882
P3179
P1988
P4647
Atom HA of residue 70
P2126
P13370
P151
P7737
P7179
P3818
P2993
P4770
P2450
P1552
P2028
P3498
P7946
P1647
P4015
P5027
Atom CB of residue 45
P1601
P2347
Atom CB of residue 31
P7805
P7656
P8290
P0
P2282
P5997
P2222
P2580
P8098
P3301
P4680
P3257
ILE
P6123
P6436
P5410
Atom OG1 of residue 55
P3992
P2589
P3028
P8476
P4382
P1459
P2314
P3686
Atom HA of residue 46
P3559
Atom CD of residue 48
P5017
P7880
P1435
P6754
P4026
P5568
P1615
Atom OD1 of residue 25
P6893
P3346
P4110
P5174
P6510
P4515
P5809
Atom CA of residue 47
P4994
P7732
Atom CA of residue 101
P11409
P6820
P2520
Model 79
Atom OG of residue 65
P7030
P4460
P2767
P2820
P5477
P3017
P3468
P2207
P8794
P5151
P1919
Atom CA of residue 29
P4452
P6538
P7169
P5186
P7883
P1992
P4648
P6545
P10160
P1616
P5909
P7146
GaussianProcessInterpolation48
P3819
P2994
P6687
P4
P4771
P2581
P3180
P4681
P150
P7180
Atom HD23 of residue 69
P3499
P1472
P7738
P7947
P5028
Atom SG of residue 76
P3687
P1553
P8291
P2029
JeffreysRestraint_P0
P2451
P13371
P8099
P3302
P3560
P3258
Atom HD11 of residue 73
Atom CG of residue 45
P1425
P6437
P1602
P5411
P1639
P4016
P3993
P2590
P7170
P3029
P2127
P4383
P2223
Atom H of residue 65
Atom C of residue 47
Atom CG of residue 29
P2283
P5998
P5810
P2348
P4027
P6507
P5569
P2315
P5018
Atom CA of residue 44
Atom ND2 of residue 25
P6821
P6124
P6894
P3347
P4461
P2768
P4111
P5175
Atom HB3 of residue 72
P4516
P7806
Atom CE of residue 48
P6539
P7733
P6755
Atom N of residue 60
P2521
P8477
P4453
P10161
P11410
P7881
P7657
P7031
P1
P2821
P6688
P5478
P3018
P1473
P2208
P8795
P5152
P4995
P5910
P5187
P3181
P4653
P3469
P1920
P1426
Atom CB of residue 59
P7181
P7147
P3820
P2995
P6546
P13372
Atom CG2 of residue 55
P4682
Atom CA of residue 77
Atom HD23 of residue 43
Atom HD12 of residue 73
P3500
P7884
P2156
P4017
Atom OE2 of residue 51
P4772
P8292
P2030
P4462
P7948
P2582
P4028
P3303
P1474
P5029
P3561
P3259
P7739
Atom CA of residue 16
P6438
P5412
P7807
P2591
P7171
P3030
P1519
P4384
P2224
P2452
P8100
Atom HG2 of residue 72
P7882
P7658
P1562
P1603
P5811
Atom H of residue 9
Atom CD of residue 29
P2349
P6756
P8478
P6508
P5570
Atom O of residue 47
Model 303
P6895
P3348
P5999
P2769
P4112
P5176
P5019
P6125
P2284
P2128
P2316
P3688
P1640
P4454
Atom HG1 of residue 7
Atom NZ of residue 48
P1892
P3994
P7032
P7731
P2822
P4517
P11411
P6540
P1427
P6822
P5479
Atom CG of residue 59
P3019
P8796
P5153
P2522
P10162
P4996
P5188
P3182
P4654
P6689
P6547
P1463
Atom CD1 of residue 44
Atom C of residue 16
P2004
P3339
P3470
P3821
Atom CB of residue 38
P2583
P2209
P1921
P5911
P3501
P7885
P7148
Atom HG21 of residue 9
P1520
P2996
P4773
P7182
Atom HD13 of residue 73
P4463
P1674
P4029
P8101
P3304
P4683
P3562
P3260
P1310
P6439
P7949
P5413
P4018
P5030
P2592
P7172
P3031
P4385
P2225
P13373
Atom HG3 of residue 64
Atom H of residue 47
P1428
P6000
P2
P1464
P5812
P7659
P6823
P1341
P3340
P5571
P3995
P6896
P1604
P2453
P2770
P4113
P5177
P7883
P8293
P6126
P2285
P5020
P2031
Atom N of residue 107
P1641
P4455
P7808
P7033
P7734
P3349
P6757
P2823
P4518
P2317
P2132
P8479
P5480
P3020
P11412
P8797
P5154
P3689
P5912
Atom H of residue 51
GLU
P1901
P6541
P1436
P1355
P2350
P5189
P4997
P1343
P10163
GeneralizedGuinierPorodFunction 41
P1
P1991
P7149
P4651
P3471
P3822
P6690
P1557
P4030
P3183
P2210
Atom CG2 of residue 44
Atom CB of residue 8
P3502
P6548
Model 25
P0
P2523
P13374
Atom CG of residue 11
P2997
P4774
P1922
Atom CG2 of residue 26
P4464
P7886
P1675
P2584
P3305
P4684
P3261
P6440
P5414
P4019
Atom HD21 of residue 73
P7173
P3032
P4386
P7950
P5031
P7740
P8294
P6758
P7809
P3563
P7660
P1518
Model 53
P8102
Atom HD2 of residue 72
P3341
P5572
Atom HA2 of residue 47
P3996
P2593
Atom O of residue 8
P1439
P6127
P6897
P3350
P4114
P5178
P4519
P7735
P8480
P3690
P7183
Atom HA of residue 51
P6824
P1605
P6001
P2226
P5813
P5021
P7884
P7034
P2454
P2771
P2824
P2318
P6542
P2286
P5481
P3021
ALA
P1642
P8798
P5155
P1882
P4456
P10164
P6549
P11413
P7741
P2032
Model 229
P5190
P3184
P6691
P2529
Atom N of residue 21
P5913
P1440
P4998
P2134
P4652
P3472
P3823
P2998
P4775
Atom H of residue 26
P2585
P4031
P3503
P2351
P7887
P1989
P4020
GaussianProcessInterpolationRestraint 16
Atom H of residue 44
P1558
P4465
P7150
P3306
P2211
P4685
P3564
P6441
P2167
P1667
P5415
Atom HA3 of residue 47
P7742
Atom HD3 of residue 42
P7184
P6002
P4387
P0
P8295
P7951
P5032
P3262
P7174
P13375
P3342
P5573
P3691
P3997
P1923
P2594
Atom HB3 of residue 73
MD 15
P6128
P6898
P3033
P2772
P4115
P8103
P5179
P4520
Atom HE of residue 54
PRO
P7885
P7661
P6759
ListSingletonContainer223
P1606
Restraint 129
P2227
P2358
P4457
P5814
P7035
P3351
P2455
P2825
P5022
P6825
Atom NZ of residue 27
P2524
P5482
P3022
P3601
P7810
P8799
P5156
P7736
P2319
P5191
P8481
P3185
P1649
P2287
ASP
P6543
P1432
P2033
P0
P2999
P6550
P4999
P7
P4032
P4686
P10165
P5914
P3504
P2352
P1990
P6692
P1893
Atom HB of residue 26
CYS
P3824
P7746
P4776
Atom HE of residue 42
P3307
Atom HH11 of residue 54
P11414
P3263
P7662
P6442
P1668
P13376
P7151
P5416
P3473
P4021
P7185
P2595
Atom HG2 of residue 31
P7175
P3034
P4388
P7888
P1335
Atom CA of residue 38
Atom CE of residue 6
P1522
P4466
P3343
P3565
P7952
P5574
P5033
P3692
P6899
P7737
P3352
P6003
P2773
P4116
P5180
Atom CA of residue 19
P4521
P2212
P7811
P6
P8296
P2038
P2133
P8104
P6826
P6129
P1607
P2525
P181
P3998
P6544
P6760
P8482
P2826
P1924
Atom HE2 of residue 27
P5483
P3023
P3602
P5815
P10166
P8800
P5157
P5023
P7886
Atom CA of residue 15
P1337
P4458
P6693
P7743
P7036
P5192
P2456
P3186
P1433
P2228
P2320
P11415
P5915
P3825
P3000
P1717
P4033
Atom N of residue 48
Atom CB of residue 48
P3505
P2288
P2359
P2003
P4022
P1561
Restraint 79
P6551
P1902
Covariance1DFunction 44
P4777
P2353
P4467
Atom C of residue 19
P3308
P4687
P3566
P3693
Atom H of residue 27
P2039
P6443
P5417
Atom C of residue 80
Atom CA of residue 24
P7
Atom HD2 of residue 37
P2596
P6130
P7176
P3035
P4389
Atom HZ1 of residue 63
P7152
P12
P1521
P7889
P1669
P3344
P3474
P3264
P7663
P7186
Atom HG3 of residue 31
P5000
P5575
P7887
P3999
Atom C of residue 15
Model 388
P6900
P3353
P7953
P2774
P4117
P5181
P4522
P5034
P8297
P6761
P13377
P1646
P6004
P8105
P2213
P4459
P5816
P182
P7037
P7738
P2827
Atom HH12 of residue 54
P7744
P1718
P5484
P3024
P3603
Atom N of residue 2
P8801
P5158
P5024
P1925
P6545
P6827
P5193
P3187
P7812
LYS
P7187
P1608
Atom N of residue 24
P10167
P11416
P8483
Atom CG of residue 52
P3826
P3001
P6694
P6552
P1357
P4778
P2457
P4034
P2321
P3694
Restraint 147
P2335
P1996
P5418
P1562
P1369
P5001
P2526
P4390
P2229
P5916
Atom CG of residue 48
P4468
P3345
P3309
P4688
P3265
P3506
P6444
P2289
P4023
P4000
P2597
P7177
P3036
P2354
Atom HZ2 of residue 63
Atom N of residue 34
P13378
P7153
P3475
P3567
Atom CA of residue 1
P7890
P5576
P6131
P6901
P6005
P1670
P2775
P4118
P5182
P4523
Atom HH21 of residue 54
P7664
P7745
P2052
P6828
P8298
P7954
P5035
P2214
P7813
P7888
P1358
P2037
P3354
P2828
P8106
P1
P5485
P3025
P3604
P1
P8802
P5159
P1885
P7739
P6762
P8484
Atom N of residue 55
P1926
P1719
P7038
P5194
P3188
P5817
P1375
P5025
P7188
P5917
P1609
P6546
P3827
P3002
P1450
P2527
P4035
P1564
P10168
P2322
P11417
P3695
Atom HB2 of residue 49
Atom HG2 of residue 72
P5419
P6695
Atom CA of residue 48
P5002
P3346
P4779
P4469
P2458
P1993
P3310
P4689
P3568
P6553
P3266
P3507
P6445
P4024
P4460
P183
P2598
Atom NZ of residue 29
P4391
P2336
P2230
Atom HB2 of residue 21
P7665
P2290
P2355
Atom HE3 of residue 63
P7154
P5577
Chain A
P4001
P1453
Atom C of residue 48
P6902
P3037
P3355
P6763
P7891
P2776
P4119
P5183
P4524
P11418
P1376
P8299
P7178
P6132
P1671
P7955
P5036
P1886
P7039
P13379
P2829
Atom N of residue 35
P1721
P6829
P6006
P5486
P3026
P8107
P3605
P8803
P5160
P7889
Atom HB2 of residue 45
Atom HB3 of residue 49
P3476
Atom C of residue 48
P6547
P5195
P3189
P7189
Atom HG3 of residue 72
Atom NE of residue 14
P2215
P5818
P10169
P6554
P5026
P1927
P7814
P3828
P3003
P6696
Covariance1DFunction 93
P8497
P4036
P4690
P2323
P3696
P5918
ModelScoringFunction23
P8485
P4025
P4461
P1454
P3347
P4
ListSingletonContainer206
P4780
Atom CB of residue 69
P2036
P1610
P4470
P3311
P1565
P3569
P1367
P3267
P5003
P3508
P6446
P2528
P5420
Atom HG21 of residue 7
P4002
Atom HE2 of residue 29
P3038
P4392
P2459
P2123
Atom HD3 of residue 38
P2356
P6007
P2337
Atom CB of residue 18
P5578
P2599
P6133
P6903
P3356
P2231
P2777
P13380
P7155
P4120
P5184
P4525
Atom HB3 of residue 21
MET
P11419
P8300
P7179
P2291
P7892
P0
P7890
P7666
P1887
P1931
P7040
P6764
P7956
P2831
P5037
P1368
GLY
P7747
P5004
P1340
P5487
P3027
P3606
P7815
P8804
P149
P5161
P8108
P4462
P1722
Atom N of residue 50
P6830
Atom H of residue 29
P8498
P5196
P3190
Atom CG of residue 48
Atom HB3 of residue 45
P7190
Atom HD13 of residue 8
P7740
P8486
P1681
P1994
P5819
P3829
P3004
P5027
P4037
P3477
P2216
P4691
P0
P3697
P6548
P4026
P6555
P1448
P4393
P2830
P3348
P1563
P10170
P1374
P7748
P4781
P5919
Atom CG of residue 69
P1611
P1341
P4471
P3312
P6697
P147
P3268
P2037
P3509
P6447
P5421
P4003
P3039
Multivariate Normal distribution 16
P2324
P7667
P1932
Atom H of residue 49
P7741
P3570
Restraint 40
Atom CB of residue 31
Atom CG of residue 18
P5579
P2600
P6904
P3357
P2232
P2778
P4121
P5185
P4526
P11420
P8301
Atom N of residue 39
P2460
P2338
P7156
P6008
P7893
P0
P1888
P1720
P7041
P7180
P4463
P6831
P6134
P5005
P2292
P5488
P7957
P3607
P5038
P8805
P5162
P1449
P6549
P2362
P6765
P13381
Atom CG of residue 41
Atom C of residue 35
P7742
P5197
P3191
P8109
P10171
P7891
P3028
P1995
Atom HD23 of residue 56
P6698
P3349
P3830
P3005
Atom HD1 of residue 45
P7191
P4038
P3478
P2217
P5820
P3698
P5028
P5920
Atom CD2 of residue 23
P7816
Atom HH11 of residue 72
P8499
P146
P7749
P4782
P2038
P8487
P4472
P1
P3313
Atom HA of residue 65
P4692
P4595
P6556
P3269
P3510
P6448
P1
P5422
P2601
P3040
P4394
P2325
Atom CD of residue 48
P1405
P6135
P5580
P6905
P3358
P2530
P2779
P4122
P5186
P4527
P1
P11421
P7668
P8302
P7181
P2339
Atom CA of residue 44
P7892
P1612
P2233
P1673
P13382
P7157
Atom N of residue 57
P1889
P4004
ASP
P6766
P2461
P7894
Atom CG2 of residue 26
P5006
P7746
P6009
P5489
P3608
P4027
P8806
P5163
P1966
Atom NZ of residue 63
Model 324
P7958
Atom CG of residue 31
P5039
P1724
P1383
P5198
P3192
Model 217
Atom CA of residue 15
P7817
P7192
P2293
P3029
P2005
P8110
Atom CD of residue 41
P6550
P6832
P8500
P3350
P3831
P3006
P4783
P8488
P4039
Atom HB2 of residue 65
P1567
P4693
P10172
P3699
Atom HB2 of residue 71
P5821
P6699
P6557
P5029
P4395
P2832
P3479
P4464
P7750
Atom CG of residue 24
Atom HE1 of residue 68
P2039
P4473
P3314
P4649
P3270
P3511
P6449
P5423
P2602
P5921
P7042
P3041
P1407
P7743
Atom C of residue 44
Atom CA of residue 57
P5581
P2218
P4008
P6906
P2531
P2358
P2780
P4123
P5187
P4528
P8303
SingletonScore 14
Atom HE2 of residue 63
P6136
Atom HG11 of residue 5
P6010
Atom CA of residue 6
P2326
P11422
P7669
P1890
P6833
P3359
P2340
P7158
Atom CB of residue 43
Atom CB of residue 48
P5007
P1613
P2234
P5490
P7895
P3030
P3609
P8807
P5164
P7893
P1387
P7182
P1413
Atom CA of residue 4
Atom HG21 of residue 23
P5199
P2462
P7959
P3193
P1314
P5040
P7193
Atom HB3 of residue 71
P6767
P13383
P4005
P2833
P8111
P4465
P3832
P3007
P4784
P5922
P2294
P4040
P4028
P4650
Atom OE1 of residue 41
P3700
P6551
Atom HB of residue 22
P3351
P5822
P10173
P5030
P7751
P0
P4474
P3315
P1566
P4694
P7818
P6700
ListSingletonContainer207
P3272
P1391
P7744
P3512
P6450
P8501
P2006
P5424
P3480
P2603
P2040
P6907
P3042
P6558
Atom HB3 of residue 65
Atom CG2 of residue 3
P1328
P5582
P3360
P4396
P2781
P4124
P5188
P4529
P11423
P1401
P7670
P3
P8304
Atom HD23 of residue 43
P7043
P6768
P2327
P1891
P2219
P4466
Atom N of residue 17
P3271
Atom HG of residue 71
P6137
P5491
P3031
P13384
P7159
P3610
P1731
P8808
P5165
P4006
P7896
P2341
P1
P5008
Atom HG2 of residue 16
P1614
P2532
P6011
P5200
P2235
P3194
P7894
P7194
P7960
P5041
Atom CG2 of residue 7
P6552
P2834
P7819
P3833
P3008
Atom HA of residue 63
P2463
P4041
P2102
P8112
P4029
P10174
P6559
P3701
P7745
Atom OG1 of residue 14
P8502
P6701
Atom O of residue 48
P6911
P3352
Atom HA of residue 17
P1723
P5923
P6834
P7183
P2295
P4475
Atom O of residue 56
P3316
Atom HG of residue 65
P5823
P4695
P5031
P3513
P6451
P1826
P5425
P7752
P2604
Covariance1DFunction 13
P3043
P4400
P4596
P4785
P3481
P1
P1382
P2041
P5583
Atom HG2 of residue 49
P2782
P1997
P4125
P5189
P4530
P11424
P8305
P6012
P7044
P6138
P1402
P1903
P3361
P2220
P4467
VAL
P5009
P1620
P5492
P3032
P3611
P4030
P8809
P148
P5166
P7895
P7671
P4007
Atom HA of residue 34
P6769
P4397
P7160
P0
P5201
P7897
P3195
P1732
P1386
P7184
P2342
Atom CG of residue 56
P2328
P6835
Atom HG3 of residue 16
P6912
P2236
P7961
P2835
P3353
P5042
P3834
P3009
P4042
P13385
P3702
P8113
P1410
P7195
Atom HB2 of residue 63
P1827
P2464
P7753
Atom HD11 of residue 71
P6553
P4476
P3317
P4696
P6560
P3273
P3514
P6452
P5426
P5824
Atom HG3 of residue 49
P5032
P2605
P5924
P7045
P3044
P2533
P7820
P4597
P6702
P4786
P8503
P3482
P1579
Atom HB2 of residue 15
Atom HG2 of residue 6
P5584
P7672
P3362
P2783
P1998
P4126
P5190
P4531
Atom CD of residue 41
P11425
P2042
P8306
Atom HA of residue 27
P2296
P4031
ListSingletonContainer187
Atom HB2 of residue 34
Atom HG22 of residue 12
P4398
P10175
P5202
P4468
P1733
Atom HB of residue 17
P5010
P6013
P5493
P3033
P3612
P8810
P5167
P2221
P1318
P1
P6139
P3196
P13386
P7161
Atom CA of residue 2
ScoreState 16
P6554
P7185
P6770
P7898
P2329
P6836
P2237
P2836
P1580
P3835
P3010
P7896
Atom CG of residue 63
P1665
P7962
P2343
P4043
P5043
P6703
P3703
P1414
P1825
P10176
P7821
Atom HH12 of residue 74
P7196
P2534
P8114
P3354
P111
P7754
P4787
P5925
P7046
P2
P4477
P3318
P4697
P3274
Atom HB2 of residue 27
P6910
P7747
P3515
P5427
Atom CA of residue 50
P2606
Atom CG of residue 71
P3045
P2465
P4032
P5825
P4598
P6561
P5033
Atom HB of residue 66
P3483
P6453
Atom C of residue 13
P5585
P4009
P3363
P2784
P1999
P4127
P5191
P4532
P2043
P8307
P8505
P4399
Atom C of residue 14
P109
P7673
P5203
P4469
P7897
Atom HB3 of residue 34
P6140
P5011
P7748
P2297
P5494
P3034
P11426
P8811
P5168
P1894
P6771
Atom H of residue 49
P6014
P3197
Atom H of residue 42
P7162
P3613
P2222
P1735
P7047
P2238
P7899
P2837
P3355
P3836
P3011
P4788
P7186
P2344
P4044
P4698
Atom HG of residue 15
Atom OD2 of residue 21
P6555
P6837
Atom O of residue 82
P7963
P10178
Atom HG13 of residue 13
P13387
Atom HD3 of residue 11
P7755
Atom HH21 of residue 74
Atom HG1 of residue 66
P8115
Atom CA of residue 64
P3319
P2330
P6704
P6562
P3704
P1408
P7197
P3516
P8504
P5434
Atom CG of residue 41
P2607
P3046
P4033
P4599
P1617
P4478
P5826
P5034
P5926
P5860
P6454
P1828
P5586
P5044
P5679
P7822
P4010
P7187
P3364
P2785
P2000
P4128
P5192
P4533
P3275
P2044
P8308
Atom HG23 of residue 14
P0
P1578
Model 264
Atom H of residue 61
P6838
P2466
P3484
P4470
P1736
P6141
P7749
P2535
P6015
P5495
P3035
P3614
P11427
P8812
P5169
P7674
P1895
P1
Atom HG21 of residue 13
P5204
Atom NZ of residue 11
P3198
CYS
P1409
P7898
Atom HD13 of residue 30
P5861
P2298
P5428
ListSingletonContainer186
Atom H of residue 21
P7048
P5012
P13388
P2838
P7163
P3356
P3837
P3012
P4789
P6772
P7900
P2345
P4045
P2223
P3705
Atom HH22 of residue 74
P4034
P10179
Atom OD1 of residue 21
P7198
P5927
P4401
P7964
P5045
P5680
P6556
P4479
P3320
Atom CB of residue 34
P4699
P7823
P2331
Atom HD11 of residue 15
P3517
P2239
P8116
P4011
P2608
P3047
Atom C of residue 36
P4600
P6705
Atom HA of residue 66
P7756
P6455
P5587
P5827
P6563
P5035
P7188
Atom HZ3 of residue 33
P2786
P2001
P4129
P5193
P4534
P1581
P3276
P8309
P2536
P7675
P6839
Atom H of residue 22
P3485
P4471
P7049
Atom N of residue 15
P7750
P6773
P5496
P3036
P5429
P1734
P8813
P5170
P1896
Atom CG2 of residue 36
Atom O of residue 21
P1830
Atom HB3 of residue 15
P2045
P6142
P5205
P2467
P3199
P11428
P5862
P2299
P3615
Atom O of residue 36
P5013
P6016
P2839
P3357
GaussianProcessInterpolationRestraint 33
P3838
P3013
P7899
P4790
P4046
P7164
Atom N of residue 6
Atom CG of residue 34
P2224
P3706
Atom CA of residue 67
P6557
P7901
P3365
P5046
P6564
P4480
P7965
P3321
P4700
P10177
P6706
Atom CD of residue 54
P3518
P1
P13389
P4035
P4012
P2609
P5928
P3048
P4402
P2346
P8117
P1583
P5681
P4601
P7199
P2243
P1710
P7757
Atom HB2 of residue 57
P6456
P5588
Atom CG of residue 41
P1308
P7189
P2787
P2002
P2
P4130
P5194
P4535
P6908
P2332
P3277
P5036
P8310
P2
P7824
P1741
Atom OD2 of residue 21
Atom N of residue 34
Atom CB of residue 36
P6840
P6017
Model 359
P4472
Atom HD2 of residue 74
P7050
P6143
P7751
P5497
P3037
P5430
P11429
P8814
P5171
P1897
P2537
P2046
P0
P5206
P3200
Atom CD1 of residue 15
P7900
P7676
P5863
P6774
P3616
bonded
P3366
P2300
P1831
P2840
P3358
P3486
P3839
P3014
P1711
P4791
P8329
P2468
P4047
P2225
P4701
P115
Atom CD1 of residue 36
P5014
P3519
Atom H of residue 34
P13390
P7165
P4036
P7902
Atom C of residue 36
P4485
P10180
P7966
P5047
P1742
P4013
Atom HG21 of residue 7
P2610
P6558
P3049
Atom O of residue 44
P4403
P2347
P6909
P7825
P4602
P6565
Atom NE of residue 54
P8118
Atom CB of residue 65
P3322
P0
P3707
P7200
P5929
ModelScoringFunction22
P6457
P2244
Atom CA of residue 36
P5589
P5682
P2129
P6707
P7190
P2788
P2007
P4131
P5195
P4536
P2249
P3278
P7758
P8311
P5037
P7677
P1584
P2333
Atom CG of residue 18
P6841
P4473
ListSingletonContainer189
P7051
P2538
P5498
P3038
P5436
P3617
P5048
P8815
P5172
P1898
Atom CA of residue 59
P7752
P6018
P5207
P4481
P3201
Atom H of residue 15
Atom C of residue 10
P1311
P5864
P1829
Atom CD of residue 41
P6144
P5015
P3367
P3
P2841
P3359
P3015
P11430
P3
P6559
P6775
P4048
P4702
P3520
Atom HA of residue 12
P4037
P10181
P7901
P2047
P1890
P6708
P4792
Atom NH2 of residue 54
Atom O of residue 36
P2
GaussianProcessInterpolation28
P2469
P7903
Atom HB2 of residue 34
P2009
P3487
P3323
P4014
P5930
P3050
P8328
P4404
P7967
P2226
P5683
P4603
P2301
P13391
P3708
P7759
Atom HG23 of residue 23
Atom HB3 of residue 57
P6458
P8119
Atom N of residue 15
P5590
P3840
P6566
P7201
P2681
P2789
P7166
P4132
P5196
P4537
Atom HZ1 of residue 11
P7826
P2250
P3279
Atom HD12 of residue 36
P8312
P110
P7191
Atom CB of residue 44
P2348
P6853
Atom CB of residue 41
P2355
P5038
P1709
Atom CG of residue 54
P4474
P7052
P7753
P5499
P3039
P5672
P3618
P5049
P1586
P8816
P5173
P7678
P1899
P1748
P6842
Atom C of residue 59
P3368
P1
P7902
P5208
P1921
P3202
P6776
P2010
P2539
P6019
P2842
P3360
P3016
P1737
P6145
P5865
P1234
P4482
P4049
P4703
Atom HD22 of residue 15
P11431
P4038
Atom CG of residue 45
P4793
Atom N of residue 6
P6560
P5016
P13392
P7167
P3709
P2048
P3521
P7904
P3841
ILE
Atom HG of residue 57
P3051
P4405
P2227
P10182
P4604
P6709
P6567
P8313
P2470
P7968
P3324
P6459
P3488
P5591
P7827
P4015
P2723
P7192
P3369
P2302
P1244
Linear1DFunction 36
P2790
P4133
P8120
P5197
P6854
P2356
P3280
P1712
Atom HD11 of residue 23
P7202
P5684
Atom HA of residue 15
Model 183
Atom HD23 of residue 43
P2349
P2251
P0
P7760
P6843
P4538
P4475
P5039
P7754
P5500
P3040
P5050
Atom CD of residue 18
P8817
P5174
P1900
P6020
P5209
P4483
P3203
P5433
P7679
P5931
P7053
P5866
P8331
P2013
P7828
Atom CB of residue 38
P1749
P1922
P2843
P3361
Atom OH of residue 20
P3017
P7903
Restraint 117
P1245
P4050
P10183
Atom HG1 of residue 7
Atom CD of residue 40
P6146
P3522
P2540
P3619
P4039
P11432
P8197
Atom CA of residue 58
Atom O of residue 59
P6777
P4406
P3842
P4794
P7168
P3325
P4704
P3710
P5017
P1570
P1582
P5685
Atom C of residue 10
P6561
P3052
P7905
Atom HD23 of residue 71
P4605
P7761
P5932
P8314
ListSingletonContainer188
P2679
Atom OG1 of residue 9
P0
P6460
P7969
P3489
P5592
P6710
P4016
P7193
P3370
P2303
P1247
Atom CD1 of residue 45
P2791
P13393
P4134
P5198
P4539
P6855
P3281
P2471
P8121
Atom OE1 of residue 18
P6568
P7203
P8330
P2228
P1713
P6844
Atom CG2 of residue 22
P4476
P7829
P7054
P7755
P4484
P5501
P3041
P5051
P2252
P8818
P5175
P5040
P7680
Atom OE1 of residue 40
GaussianProcessInterpolation77
Atom HG22 of residue 17
P1743
P8198
P6778
P5210
P3204
P5673
Atom CE of residue 48
Atom CB of residue 59
P5867
Atom CG of residue 38
P2844
P3843
P3018
P113
P4795
P1237
P2350
P4051
P4705
P3711
P2155
P6021
P3620
P4040
P2336
P7904
P6147
P11433
P6562
Atom HD22 of residue 8
P3326
P10184
P3523
P6569
P2680
P5018
P2541
P4407
Atom CD2 of residue 45
P13394
P7169
Atom N of residue 72
P4606
P6711
P5934
P7906
P6461
Atom CD of residue 21
P5593
P5686
P2253
P4017
P7194
P3053
P3371
P7970
P2792
P4135
P5199
P6856
P3282
P7762
MolecularDynamicsMover7
P8315
P5674
P3490
P7830
P1891
P8122
P3362
P7204
P6845
P4540
P1571
P4477
Atom NZ of residue 48
P7055
P0
P5502
P2472
P3042
P2011
P8819
P5176
P1906
Atom HG12 of residue 26
P2304
P6022
P7170
Atom HD11 of residue 15
P5041
P1744
P1238
P5211
P3205
P2229
P5052
P5868
P7756
P3019
P7905
P7681
P6779
P8333
P4052
Atom CD of residue 38
P5679
Atom CG of residue 45
P3524
P3621
P4041
P1716
P2652
P2845
P3844
P4796
Model 26
P6148
P3327
P4706
P11434
P3712
ModelScoringFunction13
P8194
P2351
P1338
P4018
P1521
P1240
P4408
GridCPF
P10185
P4608
P5935
P5019
Atom HD13 of residue 43
P6563
Atom HG3 of residue 6
P6462
P4486
P7907
P3363
P5594
P6570
P3054
P3372
P2793
P4136
P5200
P4541
P1572
P6857
P2337
Atom HE2 of residue 48
P3283
Atom NE2 of residue 40
P8316
P5687
P2254
P6712
P13395
P7763
P1892
P8123
P3491
P4478
Atom HA2 of residue 76
P7682
P7205
P2653
P7056
P7195
P8332
P5503
P3043
P2012
P1344
P5053
P8820
P5177
P1910
P5680
P2305
P1789
P7171
P4607
P5218
P3206
P5042
P6846
P2542
P2473
P7971
P3622
P7831
P7757
P6023
P5437
P3845
P3020
P1362
P4797
Atom CD2 of residue 45
Atom H of residue 48
P3713
P3525
P1233
P4042
P2230
Restraint 10
P1745
P6564
P5869
P6780
P2846
P1522
P5432
Atom HD21 of residue 43
P4053
P3328
P4707
P10186
P112
P7906
MD 7
P8195
Atom HG13 of residue 26
P2352
P3364
Atom HA3 of residue 76
P6713
P11435
P3055
P4409
P8335
P5020
P6463
P4487
P13396
P5595
P5688
P4019
P5933
P3373
P5212
P7908
P4137
P5201
P4542
Atom C of residue 51
P6858
P3284
P7764
P2654
P8317
P1235
P6571
P7972
P1573
P2338
P2794
P7832
P7059
P7196
P5504
P1790
P3044
P8124
P5054
P8821
P5178
P1714
P7206
P2543
P7172
P3492
Atom CB of residue 45
P3207
P4479
Atom HA of residue 48
P7683
P1904
P6847
Atom OE1 of residue 121
P5043
P7907
P1364
P5681
P2306
P2847
P5438
P3365
Atom CB of residue 39
P3021
P2256
Atom HD21 of residue 15
P4798
P2474
P3714
P5435
P7758
P6024
P1893
P4043
P1746
P5870
P3623
P3846
P7057
Atom OG of residue 20
OptimizerState 5
P1236
P4054
P3329
P2231
P4708
P2615
P4488
P4020
P6565
P1700
P3056
P5213
P4410
P5202
P1574
Atom H of residue 74
P11436
P6781
P2353
P1374
P1514
P6464
P5596
P10187
P6714
P6572
P5936
P8210
P5021
P2795
P4138
P4543
P6859
P3285
P8318
P7909
P7973
Atom O of residue 80
P4609
P2339
P116
P3374
P8334
P4480
P5689
Atom HB2 of residue 48
P1905
P3526
P5505
P3045
P13397
Atom NE2 of residue 121
P5055
P8822
P5179
P7765
Atom HD11 of residue 43
P7173
P8125
P7207
P7197
P3208
Atom C of residue 2
P2258
P0
P3493
Atom HG of residue 71
P7759
P6025
P1785
P2848
P5439
P3366
P3022
P1715
P7684
P4799
P6848
P1701
P2544
P7833
P5682
P4044
Atom CG of residue 39
Atom HD22 of residue 15
P7908
P1360
P2307
P3624
P10188
P3848
Atom HG of residue 20
P7058
P2475
P4055
P1894
Atom CB of residue 80
P3330
P2232
P4709
P1515
P2616
P5871
P6782
P4489
P4021
P5378
P3057
P5214
P4411
P5203
P5044
P5937
P5690
P11437
P3715
P6566
P6465
P5597
P7766
P8211
P3375
P8336
P2354
P2796
P4140
P4544
P6860
ScoreState 45
P3286
P8319
OptimizerState 4
P5022
P3527
P13398
P1374
P6715
P1361
P7910
Multivariate Normal distribution 32
P3847
P4610
P4485
P2255
Atom HB3 of residue 74
P6573
P7198
P2545
P5506
P7974
P3046
P1575
P2340
P8823
P5180
P1324
Atom O of residue 11
P7834
P1752
P3209
P8126
P1352
P7685
P7208
P6849
P7174
P3494
P5683
P1786
P2849
P5440
P4139
P5056
P3023
P4800
P3336
P4710
P117
P5045
P1363
P1516
P4045
P5872
P8337
P4412
P3625
Atom CA of residue 43
P7760
P6026
P8497
P7975
P4056
Atom HB2 of residue 39
Atom C of residue 11
P7909
P1894
P2617
P6783
P4490
P5598
Atom HB of residue 66
P5379
P6567
P3058
P2308
Atom CE1 of residue 45
P5219
P1895
P3367
P1353
P2233
P4481
P10189
P8199
P3528
Model 230
P2476
P6574
Atom HG of residue 69
P6466
JeffreysRestraint_P1
P6716
Atom HB3 of residue 48
P11438
P2797
P5204
P4545
P6861
P3287
P8320
P1695
P5691
P5938
Atom C of residue 25
P5023
P2355
Atom NE1 of residue 111
P4611
P7767
P3376
P7911
P3716
P1517
P7062
P5507
P3047
P8824
P5181
P7175
P3210
P13399
P2341
P114
ModelScoringFunction21
P7761
P6027
P8127
P3495
Atom O of residue 76
Atom HG2 of residue 74
P4022
P7209
Restraint 2
P7199
P2850
P5441
P3626
P1577
P5057
Atom OD1 of residue 58
P3024
P2259
P4801
P8498
P3337
P4711
P5046
P3529
P7
P1787
P4046
P7910
P7686
P6850
P3368
P7835
P5684
P7060
P8200
P7976
P4057
P2618
P4491
P5599
P5380
P5939
P3571
P5316
P4413
P3849
P1896
P1518
Atom CE1 of residue 4
P5873
P6784
Restraint 148
P2477
Atom HG21 of residue 66
P6467
P1896
P2234
P10190
P3377
P2309
P2798
P5205
P4546
P4482
P6862
P11439
P3288
P3717
P1771
Atom HD11 of residue 69
P6568
P8321
Atom CB of residue 44
Atom HG2 of residue 48
P6575
Atom O of residue 25
P2356
P4612
P5024
P3
P13400
P5692
P6717
P5508
P7912
P3048
ILE
P8825
P5182
P7768
P4023
P7176
P4141
Atom OD2 of residue 58
P7687
P1524
P6851
P5685
P1750
Covariance1DFunction 40
P8338
P7836
P6785
P2851
P5442
P8128
P3025
P2342
P7210
P4105
P7200
P4058
P3211
P3627
P4712
Atom HG3 of residue 74
P5874
P7762
P6028
P3496
P4047
P5058
Atom H of residue 16
P1696
Atom CG of residue 40
P4414
Atom CE2 of residue 111
P3369
P3335
P5047
P7061
P1788
P7977
P4802
P2619
P6569
P4492
P1528
P5381
P3595
Atom CG1 of residue 44
P8499
P4483
P10191
P7911
P6718
Atom HG22 of residue 66
P3530
P6468
P8339
P5317
P1897
P5600
Atom C of residue 12
P3850
P2
P1862
P5940
Atom CA of residue 61
P5206
P4547
P6863
ListSingletonContainer190
P3289
P3718
P8322
P2478
P2235
P5693
P11440
P8830
P2361
P2807
P4613
P5048
P7769
Atom HD12 of residue 69
P3378
P2310
P1772
P5025
P5509
P3049
P5183
P7913
P7177
P4142
P2257
Atom HA of residue 12
P4106
Atom C of residue 30
P4024
Atom H of residue 58
Atom HG3 of residue 48
P1
P6786
P13401
P2852
P5443
P3370
P5059
P3026
P7688
P1529
P6852
P4059
P3212
P8129
P3628
P4713
P6576
P7912
P5686
P7211
P1432
P7201
P2403
P4048
P2343
P118
Atom HH12 of residue 54
P1697
P3596
P8500
P7763
P6029
P7978
P4484
P2620
P5875
P3531
Atom CD of residue 40
P4493
P7837
P3851
P5382
Atom C of residue 61
P5328
P4415
P3497
Atom H of residue 59
P6570
P6469
P1796
P5601
P1359
JeffreysRestraint_P0
P5207
P4548
P6864
P3290
P3719
P1433
P8323
P1898
P10192
P6719
P8896
P5941
P2808
P4614
P11441
P5049
P3379
P2236
P2260
P1762
P7063
P5510
P2479
P3050
P1789
Atom HD2 of residue 48
P6577
Atom HG13 of residue 23
P5184
P1863
P5026
Atom CG2 of residue 44
P13402
P4143
P5694
P2311
P7914
P3213
Model 80
P7770
P1523
P6787
Atom OD1 of residue 48
P2853
P5444
P3371
Atom O of residue 3
P3852
P4025
Atom HB3 of residue 69
Atom HH21 of residue 54
P7178
P3629
P1317
P4714
P7841
P4102
P7764
P3532
P6030
P8130
P4049
P2344
P3720
P7689
P7212
P1360
P7202
P5687
P1434
P4060
Atom HA of residue 59
P5329
P3027
P7913
P2621
P4494
P10193
Atom CA of residue 51
P5383
P4416
P7979
Atom HG21 of residue 23
P5876
Atom OE1 of residue 40
P1525
Atom CB of residue 61
P3572
P6470
P8501
P2801
P5602
Atom HE22 of residue 41
P119
P5942
P8340
P5208
P4549
P3498
P6865
P5695
P3291
P6571
P8324
P1698
P5220
P2261
Atom HD3 of residue 48
P4026
Atom CG of residue 32
P4615
P5050
P3380
P1899
P2237
P7838
P6720
P11442
P8828
P7064
P5511
P3051
P1790
P4486
P5185
P1763
P1864
P4144
P6578
P5027
P3214
P1526
P1426
P4103
P2480
P7915
P7771
P2312
P6788
P2360
P2854
P5445
P3372
P3853
P7690
ILE
P8341
P7179
P3630
P4715
P5688
P13403
P4050
P2345
P4417
P8131
P7213
P7203
P7980
Atom HB2 of residue 59
P5330
P3028
Atom HG22 of residue 23
P2622
Atom CD of residue 34
P5877
P3533
P8502
P4495
P4061
P2802
P3721
P4027
P5384
Atom HH11 of residue 54
P7765
Atom HD3 of residue 6
P6031
P1791
P7914
Atom C of residue 51
P8829
Atom CA of residue 9
P6572
P3573
P6471
P5603
P10194
P5209
P4550
P3499
P6866
P3292
P8325
P1702
P5221
Atom HB2 of residue 42
P6721
Atom N of residue 6
Atom O of residue 23
Restraint 80
P4616
P5051
P3381
P2238
P5696
ListSingletonContainer191
P5943
P7065
P1427
P5512
P3052
Atom OD1 of residue 32
P11443
P5186
P8342
P1900
P4145
P1745
P6579
Atom HH21 of residue 72
P3215
Atom HB3 of residue 51
P1764
P5028
P13404
P4487
P7772
P7916
P2855
P5446
P3373
P3854
P7766
P6032
P3631
Atom CB of residue 93
P4716
P1865
P3534
P6789
P2481
P4191
P4418
P7180
P7839
Atom C of residue 73
P5
P7981
P8132
P7915
P7691
P7214
P2623
Atom OE1 of residue 34
Atom HG3 of residue 27
P7204
P4062
P4051
Atom HG2 of residue 41
P3722
P4028
P5689
P5385
Atom HG12 of residue 5
P2313
P1823
P5318
P1325
Atom CG of residue 68
P3029
P2346
P4945
P5944
P6472
P4496
Atom OD2 of residue 32
P5604
P5878
P5210
P4551
P6867
P2262
P3293
P1428
P8326
P1709
P5222
P8503
P5513
P10195
P3574
Atom O of residue 10
P4617
P6573
P3382
GLU
P7066
P3053
P5187
P5052
Atom HG2 of residue 51
P1901
P4146
Atom HD13 of residue 15
P5697
P6722
P11444
P3216
P3503
P4946
P7773
P1765
P8343
P2178
P4488
P6580
Atom O of residue 73
P7692
P0
P5029
P6790
P2856
P5447
P3374
P1746
P2239
P5690
P1439
P7917
P7181
P3632
P4717
P1866
Atom CA of residue 35
P124
P3723
P4192
THR
P4419
Atom CG of residue 93
P3855
Atom H of residue 44
P5879
P7767
P6033
P7982
P4063
P13405
P7840
P3030
P2263
P2624
P3535
P2482
P8133
P3
P4052
P4029
Atom HZ3 of residue 48
P7215
P5386
P7205
Atom O of residue 73
P1825
P5319
P4948
P6574
Atom HD2 of residue 27
Atom HG of residue 20
P8504
Atom CD of residue 68
Atom HG3 of residue 41
P2347
P6473
P4497
P5605
P10196
ListSingletonContainer1
P7916
P1437
P2314
P5211
P4552
P6868
P6723
P3294
P8327
P5223
P5514
P5945
P3575
P3504
P4618
P6581
P3
P5053
P3383
P5698
P7067
P3
P3054
Linear1DFunction 29
P4489
P5188
Atom HA3 of residue 10
Atom HD12 of residue 44
P4147
Atom CG1 of residue 26
P4947
P4107
P3217
P11445
Atom HG3 of residue 51
P7774
Restraint 130
Atom HD21 of residue 15
Atom CB of residue 73
P1438
P6791
P1902
P2857
P5448
P2240
P3856
Atom HZ1 of residue 48
P1766
P5030
P4064
P13406
P3633
P4718
Atom HG13 of residue 26
Atom CA of residue 21
P7918
P7693
Atom N of residue 49
P4420
P3375
Atom NE2 of residue 15
P7917
P5691
P2265
Atom HD22 of residue 50
P2625
P3536
P7182
P1747
P4053
P7842
P3724
P4030
P5387
Atom HD12 of residue 44
Atom HA of residue 44
P7768
P1
P6034
P1826
P8134
P5320
P7216
Atom CA of residue 89
P5880
P7206
P3031
P3576
P6474
Atom CB of residue 73
P4498
P4
P2483
P7983
P5606
P1867
P1703
P5218
P4553
P6869
P3295
P6575
P8328
Atom C of residue 23
P5224
Atom CD1 of residue 73
P0
P2126
P4619
P5054
P3384
P2315
P8505
P10197
P2348
P6724
P5946
P5515
P3055
P4490
P7843
Atom HA of residue 50
P4949
P5189
Atom CD of residue 34
P4148
P6582
Atom HA of residue 44
P4108
P8345
P3218
Atom HG21 of residue 26
ListSingletonContainer192
P7068
P5699
P11446
P6792
P2858
P5449
P3376
P3502
P3857
P7775
P4065
P3634
P4719
P5031
P3537
P1903
P2266
P3725
P1767
Atom O of residue 23
P4421
P7919
P5212
P7769
P6035
P3032
P7694
P1348
P2626
P4499
Atom HD3 of residue 6
Atom CG2 of residue 26
P4054
P4031
P5692
P5388
P13407
P5321
P7918
P8344
P8135
P1748
P2241
P10198
P1868
P7217
P1435
Atom HB of residue 44
P2064
P7207
P3577
P6475
Linear1DFunction 37
P7984
P5607
Atom HZ of residue 45
P5881
P8506
P1824
P4554
P6870
P7844
P3296
P8329
P5225
Atom HB2 of residue 50
P5947
P2484
P5700
P4620
Atom HZ2 of residue 48
P4950
P5055
Atom HB of residue 44
Atom O of residue 51
P3385
Atom HH22 of residue 72
P7183
P2349
P7776
P7069
P5516
P4491
P122
P5190
P4149
P6725
P2316
P3219
Atom OE1 of residue 34
P3056
P6583
Atom CD2 of residue 73
P2859
P5450
P5213
P3858
P11447
Restraint 588
P6576
P2127
P3635
P1436
P4055
P3726
P7695
P5032
P4422
Atom H of residue 69
P13408
P3377
P5693
P2066
P6793
P7920
P4720
P3033
P123
P1768
P2627
P3538
P1904
Atom OH of residue 59
P4951
Atom N of residue 46
P4032
P5389
P5322
Restraint 41
P5882
P7184
P1749
P7845
P2264
P7770
P3578
P6476
P6036
P4500
P1828
P8136
P2601
P5608
P7919
P7218
Atom HA of residue 4
P7208
P3386
P4555
P6871
P3297
Atom HG12 of residue 44
P8330
P5226
P7985
P10199
P2242
P4621
P5
P1869
Atom HE3 of residue 27
Atom N of residue 39
P4066
P13409
Atom HB3 of residue 50
P6726
P6577
P5517
P4492
P5191
P8507
P2485
P4150
P5701
P6584
P121
P5948
P3220
Atom CA of residue 49
P5056
P7777
P7070
P3057
Atom H of residue 73
P8347
Atom HD22 of residue 69
P2860
P5451
P5214
P3378
Atom CD1 of residue 8
P3859
Atom CB of residue 51
P2317
P3636
P4721
P11448
Model 142
P4056
Atom H of residue 59
P2350
Atom HD2 of residue 45
Atom HB1 of residue 46
P1
P5323
Atom HE3 of residue 1
P5033
Atom HG2 of residue 48
P6794
P3034
P1769
P2628
P3539
P4501
P7921
P2128
P2602
P3727
P5390
P1327
P4423
P7920
P7696
P1905
P7185
P5694
P3579
P6477
P7986
P1830
P5609
P4952
P4033
P7771
P3387
P6037
P8346
Atom HA of residue 69
P4067
P8137
P4556
P6872
GLN
P3298
P7219
P5949
P8331
P7209
P5227
P120
Atom CB of residue 23
P5883
P8508
P4622
Atom HZ1 of residue 27
Atom CB of residue 30
P10200
Atom HH22 of residue 54
P5518
P3058
P2243
P7846
P5192
P1870
P6578
P2056
P4151
P1750
P0
P3221
P2267
P5057
P0
Atom HG3 of residue 48
P4493
P5702
Atom HA of residue 59
P6727
P4953
Atom CA of residue 28
P2486
P2861
P5452
P5219
P3860
GaussianProcessInterpolationRestraint 46
P7778
Atom CG of residue 51
P3637
P6585
P7697
P3540
P11449
P5695
P1330
Atom O of residue 39
P3379
P5324
P4655
Atom N of residue 27
P2318
P0
P4722
P3035
P1770
P2629
Atom HB2 of residue 46
P5034
P4068
Atom C of residue 103
P4057
P3728
P4034
P5391
P5884
P6795
P4424
P7922
Atom HB2 of residue 69
P2351
P7071
GeneralizedGuinierPorodFunction 17
P2129
P3580
P6478
P4502
P5610
P7772
P6038
bonded
P7186
P4557
P6873
P7847
P8332
P5228
P1906
P8138
P10201
P7921
P7220
P7210
P4623
P7987
Atom CG1 of residue 30
P4954
P3299
P5950
Atom CG1 of residue 23
P2057
P5519
P3571
P2244
P4494
P6586
Atom C of residue 28
P5193
P1871
P1331
P6579
ListSingletonContainer587
P4152
P2576
P5703
Atom CZ of residue 59
P2268
P1827
P3222
P7779
P8509
P1751
ListSingletonContainer194
P2862
P7187
P5453
P5316
P7848
P3861
P6728
P5058
Atom N of residue 55
P3638
P4723
P4656
P1856
P3541
P8349
P2487
P3729
P3388
P3380
P11450
P7072
P6796
P3036
P2630
P4503
Atom O of residue 103
P4058
LYS
P7922
P4035
P5696
P5392
P5035
P2319
P4425
P5325
P2352
P4955
GridCPF
P7923
P4069
P1332
P7773
P3581
P6479
P6039
Atom HB3 of residue 69
P5611
Atom O of residue 12
P5885
P2130
P4558
P6874
Atom H of residue 46
P8333
P5229
P1
Atom O of residue 28
P7698
P1782
Atom HA of residue 66
P8348
P4624
P7221
P7211
Atom HD2 of residue 48
P1907
P3300
Model 304
P2058
P8510
P5520
P7988
P3595
P7849
Atom N of residue 49
P5194
Atom CA of residue 51
P4153
P2577
P2
P10202
P5951
THR
P3223
P5059
P1872
P7073
P6580
P4495
P2313
P6587
P3389
Model 360
P7188
P5454
P8139
P2245
P3862
P6729
P1752
P5704
P4657
P3542
P5317
P3730
P7780
P4426
P2863
P3381
P3639
P4724
P3037
P11451
P4956
P2631
P1312
P4504
P7
P2488
ListSingletonContainer208
P4036
P5393
P4059
P5326
P7699
P5036
Atom HG1 of residue 12
P5697
P1334
P7774
P3582
P6480
P6797
P1318
P6040
P7924
P5612
P2353
P7923
P2320
P4070
P2131
P4559
P6875
P10203
P3301
P8334
P5230
P3596
P6581
P5886
Model 101
P7850
P4625
P8140
Atom HZ3 of residue 48
P7222
P5952
P7212
P5521
P5705
Atom N of residue 92
P5195
Atom C of residue 51
Atom H of residue 51
P7989
P4154
P1593
P7781
P2206
P3224
P4957
P152
P1873
P1336
P4496
P6730
P3390
Atom HB of residue 66
P1908
P7189
P5455
P5328
P3863
Atom HG of residue 8
P8511
P3640
P4725
P6588
P4658
P3543
Model 325
Atom HG11 of residue 5
P2578
P2246
P7851
P3731
P5329
P2059
ClosePairContainer
P6798
P2864
P3382
P1753
Atom HE3 of residue 48
P8351
P3038
P7074
P1853
Atom HD11 of residue 8
P11452
P4037
Atom H of residue 40
P5698
P5394
P4427
P4071
P5327
P7700
Atom HA of residue 51
P2489
P2632
P5037
P3583
P6481
P5613
Atom N of residue 51
P5887
P7925
P4560
P4060
P6876
P3302
P2119
P8335
P7775
P6041
P5231
P2207
VAL
P7924
P2132
P4626
P2321
Atom CG2 of residue 55
P8141
P1594
P10204
Model 311
P8350
P5522
P7852
P4958
P5196
P1773
P7223
P6582
P7213
P3391
Atom HG1 of residue 66
P4155
P8512
P7990
P3572
P3225
P3641
P2269
P2360
P4505
P4497
P5706
P6731
P6589
P5953
P2865
P7190
P5456
P3864
P7782
Atom H of residue 12
Atom O of residue 43
P4659
P7075
P1337
Atom HA of residue 14
P2060
P3544
P1909
P3732
P5330
P3383
P5332
P1440
Atom O of residue 45
P4072
P5220
P2247
P3039
P7776
P6042
P1754
P4038
P1874
P5395
P6799
P4428
P2579
P4061
P11453
P2686
P6
P4959
Atom OE1 of residue 40
P2633
P6482
Atom CZ of residue 112
P5614
P7925
P7701
Atom HB2 of residue 51
P5038
P3392
P4561
P6877
ListSingletonContainer209
P3303
P5699
P1328
P8336
P5232
P7926
GLU
P1854
Atom HG23 of residue 9
P4627
P1443
P5954
P2322
Atom H of residue 55
P4726
P5888
P3584
Atom HG22 of residue 66
P5523
P2490
P2133
P7853
Atom CB of residue 43
P5197
P7076
P4156
P8142
P10205
P7224
P7214
P3573
P3226
P3642
Atom HD22 of residue 56
P6583
P7991
P4498
P2866
P5457
P5336
P3865
P2270
P4073
P6732
P4660
P7702
P2061
P3545
P2201
P7191
P153
P1444
P7783
Atom CB of residue 55
P8513
P3384
P1591
P6590
P1857
P4506
P1910
P5221
P2248
P3040
P5318
P5700
P2634
P8143
P1755
P4062
Model 265
P4960
P3733
P4039
P5396
Atom N of residue 4
P8353
P4429
P2357
P6512
Atom CD of residue 31
P1
P11454
Atom HA of residue 56
P5889
P7777
P6483
P6800
P6043
P5615
P2687
P3393
P4562
P6878
P4727
P3304
P1875
P8337
P5039
P5233
Atom HD22 of residue 73
P1598
P2580
P7854
Atom HD13 of residue 61
P1446
P4628
P8514
P10206
P7926
P3585
P5524
P4499
P6733
P5198
P7077
P6584
Atom CA of residue 42
P4157
P5955
Atom CD of residue 34
P2323
P8352
P3574
P3227
P2134
P3643
P1595
P6591
P7225
Atom C of residue 21
P7215
P2491
Atom OE1 of residue 62
Atom OG1 of residue 55
P7927
P7992
P2867
P7192
P5458
Atom HZ3 of residue 29
P3866
P2271
P7784
P4507
P4074
P5707
P4661
P7703
P3546
Atom HA of residue 73
Atom NH1 of residue 112
Atom HA of residue 61
P1858
P4430
P3385
P5222
P2249
P3041
P4961
P5319
Atom HB2 of residue 56
P2635
Atom HB of residue 22
P8144
P1756
P4063
P5331
P3734
P4040
P5397
P8238
P6801
P1911
P6513
P2062
Atom N of residue 3
P5701
P6484
P5616
P11455
Atom OE1 of residue 31
P2688
Atom CA of residue 48
P3394
P4563
P2581
P6879
P3305
P1876
Atom CB of residue 21
P8338
P7778
P6044
P5234
P2358
P1435
P5040
P5890
P8353
P4629
P0
P7928
P3586
P4508
P5525
P4500
P5199
P7927
P7078
P2202
P4158
P8237
P3575
P3228
P3644
P4728
P7855
Atom HB2 of residue 73
P10207
P6734
Atom HB of residue 61
P7226
P5956
Atom OE1 of residue 34
P7216
Atom CG of residue 21
P2135
P2868
P7193
P3867
P2272
P6585
P1884
P2324
P7993
P4075
P6592
P4962
P7704
P2492
Atom N of residue 30
P4064
GaussianProcessInterpolation24
P4431
P3386
P5708
P5223
Atom NE2 of residue 62
P3042
P4662
P5320
P7785
Atom HB3 of residue 56
P2636
P3547
P8145
P3735
P4041
P5398
P2063
P0
P1912
P5459
P1596
P2250
P7779
P6485
P6045
P8355
P5617
P6514
Atom O of residue 67
Atom C of residue 48
P4564
P6880
P11456
P3306
P1436
P5702
P8339
P6802
P5235
P1757
P4729
P1
P2582
P5709
P10208
P4630
P0
P5041
P3395
Atom HG13 of residue 44
P7929
P6586
Model 27
P5891
P3587
P5526
P4501
P5200
P7928
P1877
P2689
Atom N of residue 43
P4159
P5957
P4509
P2203
P3576
P3229
P7856
Atom C of residue 7
P8354
P5068
P7786
P1885
P8354
P2136
P2869
P7194
P7227
P2067
P7217
Atom HG of residue 73
P4076
P3645
Atom O of residue 62
P6735
P7705
P3548
Atom OD1 of residue 21
P7994
Atom CG of residue 4
P5710
P4432
P5460
P3387
P3868
P1320
P6593
P1445
P2325
P5224
P3043
P4963
VAL
P4663
P5321
P2637
P7079
P6803
P2493
P8146
P4730
P2273
P3736
P4042
P5399
Atom HG22 of residue 14
P6515
Atom HG of residue 56
P5703
P6486
P1913
P5618
P2251
P3396
P4565
P6881
P3307
P8340
P5236
ListSingletonContainer583
P11457
P5892
P4631
P7780
P6046
P4510
P1758
P1598
Atom CG of residue 43
P7929
Atom N of residue 38
P5042
P3588
P8355
P5527
P2583
P4065
P4502
P5201
P1878
P7930
P4160
P10209
LYS
P3230
P3646
P5711
P2690
Atom HA of residue 4
P6587
Atom CA of residue 8
P6736
P2137
P2870
P5069
P7857
P3869
Atom HG22 of residue 44
P3577
Atom CB of residue 62
P6594
P4964
P7228
P5958
P7080
Atom CA of residue 54
P7218
P2204
P7787
P7995
GridCPF
P5461
P3388
P7706
P2068
P1859
P4077
P7195
P5225
P2254
P4731
P3044
P4664
P5322
P1447
P2638
P3549
P7931
P2274
P3737
P4043
P5400
P4433
Atom C of residue 33
P7781
P2326
P6047
P8147
P6487
P6804
P2494
P5619
P3397
P4511
P4566
P6882
Atom CD1 of residue 43
P3308
P8341
Atom CA of residue 38
P5237
P1914
P1599
P2321
P4066
P6516
P125
P5202
P2694
P4632
P5704
Atom C of residue 48
P1759
P7930
Atom HG12 of residue 30
Atom HB3 of residue 4
P3589
P5528
P2584
P4503
P5959
P7081
P5043
Atom CD1 of residue 73
P4161
P2256
P5893
P3578
P3231
P3647
P7858
P1879
Atom C of residue 54
P10210
P2208
P2871
P11458
P6588
P8356
P5070
P5712
Atom CB of residue 4
P4965
P5323
P7707
P3550
P8356
P2
Atom CB of residue 31
P7229
P2065
P7219
P0
P3389
P2
P3870
P6737
PRO
P0
P7996
P4078
P7196
P5226
P4732
P3045
P4665
P7788
P2639
P4512
P7932
P2138
P8148
P1660
P6595
Atom HB2 of residue 24
P3738
P1441
P4044
P5401
P1860
P5462
P4067
Atom CD2 of residue 43
P5705
P4434
P6488
P5620
P4567
P6883
P3309
Atom CA of residue 33
P8342
P5894
P7782
P2327
P6805
P6048
P5238
P2495
P5203
P4633
P6517
P3398
P1375
P1915
P2322
P2258
P2275
P1378
P11459
P2696
P3590
P8358
P5529
P2585
P4504
P1442
P7082
P2209
P4162
P1597
P10211
P5
P7931
Atom HG13 of residue 30
P8357
P3232
P6738
P6589
Model 231
ClosePairContainer
P5960
P2872
P3390
Atom CA of residue 109
Atom HG2 of residue 33
P6596
P1880
Atom O of residue 54
P3579
P3648
P4733
P5324
P7708
P1760
P4068
P5071
P7859
ListSingletonContainer196
P3739
P7789
P0
P5713
P3871
Atom HG22 of residue 7
P7230
P5044
P7220
P5227
P1661
P3046
P4666
P2640
P3551
P8359
P4513
P7933
P7997
P4079
P2139
P8149
P4045
P5402
P1861
P1376
Atom HG3 of residue 2
P7197
P5463
P1379
Atom HB3 of residue 19
P4435
Atom HB3 of residue 24
P6489
P6806
P5621
Atom CB of residue 27
P6884
P3310
P7932
P5706
P8343
P5239
P2215
P4634
P2276
P7783
P3399
P6049
P1916
P4568
P6518
P11460
P4966
ListSingletonContainer197
P3591
P2328
P5530
P2496
P2317
P4505
P5204
P7083
P4163
P1380
Atom H of residue 43
LYS
P3580
P2259
P3233
P3649
P5045
P2255
Atom ND2 of residue 27
Atom HA of residue 52
P1320
P2873
P3391
P3872
Atom CB of residue 54
P2586
P5714
P4734
P10212
P6739
P5961
P2691
P5895
Atom O of residue 109
P7860
Atom HG3 of residue 33
P3740
P1881
P6590
P8358
Atom N of residue 63
P5072
P6597
P7198
P5228
P3047
P4667
P5325
P7231
P2641
P7221
P3552
P7934
P8150
P4046
P5403
P1862
P7998
P5464
P1761
P1656
P7790
P129
P3
P6490
P4514
P4080
P3
P5622
P4069
Atom CG of residue 27
P3400
P2
P4569
P6885
P3311
P8344
P7784
P6050
P5240
P2140
Atom HG3 of residue 24
P4635
Atom HG2 of residue 42
Atom HD22 of residue 43
P7712
Atom HG2 of residue 41
P6807
Restraint 149
Atom H of residue 62
P7933
P3592
P5531
P4506
P10213
P6519
P5205
Atom HB2 of residue 52
P7084
Atom HG23 of residue 14
P1322
P4436
P11461
P6591
P5896
P3581
P2260
P1917
P3234
P2277
Model 184
P5046
P2329
P2497
P5962
P8359
Atom HD23 of residue 43
P2874
P4164
P3873
P4967
P3650
P4735
P7791
Atom CA of residue 63
P1
P3741
P1882
P2587
P6740
Atom HA of residue 43
P5229
P2318
P5073
P7861
P3048
P4668
P5326
P2642
P3553
P4515
P4081
Atom CB of residue 2
P5715
P6598
P11462
Atom N of residue 76
P7709
P4047
P7232
P5404
P1
P7222
P5465
P4
P1657
P6808
P8357
P7935
P7999
P6491
P7199
P1762
P5623
P3985
Model 58
P8151
P4570
Atom HA of residue 62
P6886
P0
P3312
P2692
P8345
P5241
P2141
P4070
P1863
P4437
P3392
P4636
P5707
P3401
Atom CA of residue 44
Atom CG of residue 6
GLY
Atom N of residue 25
P3593
Atom CD of residue 62
P5532
P4507
P5206
Atom HG3 of residue 41
P7085
Atom C of residue 63
P7785
P6051
P6520
P7934
P5897
P3582
P3235
P2498
P10214
P128
Atom HG1 of residue 12
P1918
P2875
P4165
P5716
P3874
Atom HB3 of residue 43
P4968
P7710
P6592
P5047
P4736
P6741
P3
Atom H of residue 52
P2330
P2257
Atom N of residue 122
P7862
P2278
P1883
Atom HA of residue 15
P2588
P6599
Atom OG of residue 65
P5963
P4082
P5230
P3651
P3049
P4669
P5327
P7792
P2643
P3554
P8360
P4516
P7936
P5074
P11463
P5405
P4803
P3986
Atom N of residue 44
P5466
Atom HB3 of residue 62
P2319
P1658
P7233
P7223
P4438
P4071
P6492
Atom OE1 of residue 62
P8000
P3393
P5624
P3742
P7711
P4048
Atom O of residue 63
P5048
P7786
P6052
P7200
P8152
Covariance1DFunction 65
P6887
P3313
P8346
P6809
P5242
P1763
P1864
P4637
P2693
P3402
P4571
Atom O of residue 113
P4969
P7935
P3594
P5533
P5207
P5708
P7086
P4166
THR
P3583
P3236
P6521
P1313
Atom HE21 of residue 41
P5964
ALA
P4508
P5898
P2142
P2876
P1
P3875
Atom HG of residue 43
P3652
P4737
P10215
P5332
P2
P8361
P2499
P4072
P2279
P6593
Atom HD11 of residue 30
P4804
P1919
P3394
P5717
P8233
P4083
P5231
P3050
P4670
P5709
P2644
P3555
P6493
P2331
P4517
P7937
P2261
P6742
P11464
Atom H of residue 65
P3743
P4049
P1884
P5406
P2
P5467
P5075
P7863
P7793
P6600
P7234
P7224
P5625
Atom HG3 of residue 6
Atom HG21 of residue 14
P5049
P3403
P4439
P8001
Atom CZ3 of residue 28
P4572
P6888
P0
P3314
P2697
P8347
P5899
P3925
P7201
P2589
P2324
P4970
P8153
P4638
P1690
P7787
P6810
P6053
P1764
Atom CB of residue 113
P5710
P3599
P5534
P4509
P1662
P5208
P1537
P7087
P4167
Atom HG2 of residue 62
P8232
Atom O of residue 62
P3584
P3237
Atom CG of residue 25
P5336
P1865
P5243
P10216
P6522
P7936
P0
P4805
P2877
P6743
P6594
Atom N of residue 20
P4084
P3395
Atom C of residue 122
P4738
P5965
Model 423
P6601
P3876
P2143
P5232
P3051
P4671
P7713
P7794
P2645
P3556
P6494
P4518
P2500
P7938
P1920
P3653
P0
P4073
P5718
P8234
P1691
P11465
P3744
P5407
Atom O of residue 60
P5468
P7864
P2
P2280
P4971
P8362
Atom CD of residue 62
P5076
Atom HA of residue 65
P1538
P2332
P5626
P1663
P4050
Atom HG2 of residue 18
P5711
P7235
P2698
P5050
P7225
P8154
P4573
P6889
P3315
P8348
Atom NE of residue 72
P5900
P3600
Atom CB of residue 62
P6811
P8002
P1885
Atom CB of residue 55
P4440
P7202
P4639
ListSingletonContainer199
P7937
Atom CD1 of residue 13
P3404
P2590
P1765
P5244
P5535
P4510
P5209
P7088
P7788
P6054
P2262
P4168
P8235
P3926
P3585
P3238
P1866
GaussianProcessInterpolation49
P2878
P3877
P6523
Atom CB of residue 60
P4739
P3557
P3654
P4074
SER
P5719
P10217
P6744
P5331
P5966
P5233
P3052
Atom HD12 of residue 43
P4672
Atom HA of residue 29
P2646
P3
P6595
P6495
P4519
P2323
Model 117
P6602
P4051
P5408
P4821
P1924
P2144
P5469
P2281
P4972
Atom CZ of residue 72
P11466
Atom HG3 of residue 64
P7714
P4441
P2501
Atom HE of residue 54
P5627
P5077
P7865
P3745
P7795
P2695
P5051
P3405
P7939
P3396
P4574
VAL
P3316
P7236
P8349
P5901
P7226
P2333
P1886
Atom HG3 of residue 18
P8003
P4640
P5712
P7789
P6055
P4085
P7203
P133
Atom OG1 of residue 55
P5245
P8489
P5536
P8155
P4513
P5210
P7089
Model 54
P6812
P2264
P4169
P2591
P1766
P1685
P7938
P3597
P3927
P3586
P3239
P1664
P6890
P10218
P1756
P3655
P8237
Atom HD13 of residue 43
P1642
P6596
P2879
P3878
P1
P6524
P5967
P4075
P4973
P1533
Atom HB2 of residue 29
P2326
P7796
Atom HG22 of residue 14
P1867
P8490
P5234
P4740
P3053
P4673
P2647
MovedSingletonContainer10
P6496
P4520
P6745
P11467
P3746
P5409
P3558
P4837
P4442
P1956
P2145
P5470
P3397
P7866
P4511
P5720
P8236
P6603
P7715
Atom HH11 of residue 54
P5628
P2282
Atom CG2 of residue 118
P4052
Atom HD2 of residue 72
P3406
P6813
P7940
Atom N of residue 52
P4575
P5078
Atom C of residue 2
P3317
P8350
P5902
P3598
P1665
P7237
P5052
P7227
P2502
P4641
P2699
P8004
P6891
Atom CD2 of residue 43
P5537
P7204
P2328
LYS
P5211
P5713
P7090
P2265
P4170
P8156
P5068
P3587
P3240
P1686
P135
P1887
P7790
P6056
P5246
P1761
P2592
P1767
P7939
P1643
P4086
P2880
P3879
Atom NH1 of residue 72
P8491
P3398
P4741
P10219
P1306
Atom HD21 of residue 43
P4674
P3656
P4076
P5721
P6525
P4974
P6597
P4848
P3928
P6746
6lyz.pdb
P8448
Atom CA of residue 52
P5235
P3054
P7716
P2648
P6497
P4521
P6604
P11468
P3747
P5410
P5968
P1868
P4443
P5471
P1534
P7797
P1923
Multivariate Normal distribution 45
P2146
P5629
Atom HD3 of residue 11
P4053
Atom CG2 of residue 55
P5053
P3153
P3559
Linear1DFunction 39
P4576
P3318
P8351
P4512
P5079
P7867
P2283
P7791
P6057
P7941
P2331
P5714
P7238
P2700
P5903
P7228
P3407
P6814
P6892
P2049
P5538
P8005
P5218
Atom CG of residue 1
P2503
P7205
P4171
P4642
P7940
Atom NH2 of residue 72
Atom H of residue 43
P3588
P3241
P8157
P1687
Atom HG23 of residue 23
P5069
P5247
P7092
P2263
P4087
P2881
P3880
P1888
P5969
Atom HH of residue 59
P8449
Atom C of residue 13
P3399
P2593
P1768
P4742
Atom HD11 of residue 43
P4675
P1644
Restraint 172
P3657
P4077
P4975
P137
P3748
P1541
P4444
P1328
P10220
P6526
P4806
P5236
P3055
P2649
P6598
P6498
P4522
P3929
P5722
P11469
P7717
P4054
P5411
P3154
P8492
P5472
P2325
P6747
P5212
P2050
P7091
P5630
P7798
P5054
P3560
P3408
P7942
P4577
P6605
P3319
P8352
P1869
P5904
P2147
P7868
P5080
Atom CG of residue 27
P4088
Atom HD3 of residue 54
P2284
P7239
P7229
JeffreysRestraint_P1
P5539
Atom HB2 of residue 43
Atom H of residue 50
P1645
P7792
P6815
P6058
P8006
P4172
Atom C of residue 8
P4514
P4643
P2701
Atom N of residue 60
P3242
P7206
P6893
Atom HD11 of residue 23
P5715
Atom HB of residue 30
P5248
P2504
P8158
P5070
Atom HD22 of residue 43
P2882
P3881
P1889
P1757
P3400
P2594
P1769
GLY
P10221
P7941
P2266
P3658
GaussianProcessInterpolationRestraint 17
P4078
Atom CA of residue 67
P1688
P6748
P4976
P3749
P6599
AngleSingletonScore11
P2
P8493
P4445
P3589
P5970
P4807
P5237
P4743
P3056
P6527
P6606
P5213
P4676
P2650
P6499
P4523
P3930
P2329
P7718
P5412
P8450
P3561
P5473
P7799
P5723
P1544
Model 81
P5631
P4055
P5055
Atom HA of residue 43
P4089
P4578
Atom O of residue 6
P11470
P3320
P8353
P5905
P8238
P5716
Atom HG13 of residue 5
Atom HG12 of residue 30
Atom CE2 of residue 53
P4644
Atom CA of residue 60
P1870
P3409
P1914
P6816
P2148
P5081
P7869
P2285
P1325
P5540
P7943
P7942
P7240
Atom CD of residue 27
P7230
P3077
P4173
P1693
Atom HE1 of residue 68
P8007
P3243
P6894
Atom HD22 of residue 50
P1646
P7793
P6059
P5249
P7207
P8501
P3
P1758
P2883
P8159
P3882
P5071
P2702
P2595
P1770
P2505
P3659
P4977
P8451
Atom HB3 of residue 50
P4446
P3590
P5238
P3401
Atom CA of residue 3
P4744
P3057
P5214
P4677
P1539
P7093
Restraint 118
P6500
P4524
P6913
P4090
Atom CA of residue 20
P4079
P4515
P5724
P10222
P6749
P6528
P7719
P1890
P5413
P5971
ASN
P5474
P2675
P6600
P6607
Atom HA of residue 50
Atom HG23 of residue 30
P8494
P5632
P4056
P3410
P4808
P4579
P2330
P11471
P3321
P8354
P5906
P7870
P7800
Atom HG13 of residue 61
Model 312
P2267
P4645
P1871
P1909
P3931
P2286
P5056
P3562
P5541
P6914
P5082
Atom HG22 of residue 3
P3750
P5717
P1647
P8502
P7794
P3078
P6060
P7944
P2149
P4174
P7241
P7231
P3244
P1355
P6895
P6817
P5250
P8008
LEU
Atom HD3 of residue 54
P1540
P7943
Atom HA of residue 11
Atom HG of residue 50
P1759
P2884
P7208
P10223
P3883
P8160
P5072
P6601
P3660
Atom C of residue 20
P4447
P3591
P2676
P5972
P5239
P3402
P4745
P3058
P1698
P5219
P4678
Atom HB2 of residue 50
P6501
P4525
P2506
P4091
P4080
P4978
P7720
P7801
P5414
P4809
P5475
P2596
P1771
P6529
P7094
Atom CA of residue 30
P6750
P1891
P8452
P5633
P4516
P4057
P3411
ILE
P4580
P2327
P5725
P6608
P3322
P2703
P8355
P3563
P3751
P6818
P4646
P11472
P8496
P5057
P5542
MolecularDynamicsMover8
P1872
P5907
P3079
P1907
JeffreysRestraint_P0
P2150
P4175
P5083
P7871
Atom HD1 of residue 68
P7945
P2269
P3245
P6896
P2287
Atom HG23 of residue 3
P5718
P7242
P7232
P5251
P3932
P3661
Atom HD21 of residue 60
Atom CB of residue 12
P8009
P2885
P3884
P7795
P6061
P4092
P7209
P3403
P7944
P7095
P8503
Atom HD11 of residue 50
P6916
P8161
P4081
P5073
P4448
P3592
P10224
P1
P5240
P5726
P4746
P3571
P1692
Atom HG3 of residue 54
P5316
P4679
P6602
P8453
P6502
P4526
ScoreState 17
P4517
Atom HG21 of residue 17
P6751
P4979
P5415
Atom HB2 of residue 28
Atom C of residue 23
P4810
P8495
P5476
P1772
P3752
P2655
Atom O of residue 30
P2507
P1760
P6530
P6609
P7721
P1892
P5973
P2706
P2597
P5634
P7802
P4058
P4581
P11473
P3323
P8356
P3564
Atom HA of residue 1
P4647
P3412
Atom CG of residue 2
Atom CE1 of residue 4
P7796
P6062
P5543
P5719
P7096
P1873
P5908
P3080
P1908
P6819
P2151
P4176
P7872
P5058
P3246
P4518
P5084
P6897
P8504
P5252
P8369
P7946
P6917
P3662
P2332
Atom CD1 of residue 13
Atom HD2 of residue 68
P7945
P1590
P7243
P7233
P2886
P3885
P3933
P8010
P4093
Covariance1DFunction 14
P7210
P3753
P5974
P4449
P3593
P8162
P2288
Atom HE1 of residue 4
P5074
Atom HD12 of residue 50
P5241
P3404
P4747
P3595
P4680
P2656
P4527
P1762
P10225
P4980
P7722
P4059
P1897
Atom NH1 of residue 42
P5416
P4811
P5477
P4082
Atom CG1 of residue 17
P5317
P6603
P3565
Model 361
P6503
P2598
Chain A
P5635
P6531
Atom C of residue 40
Linear1DFunction 38
P4582
P2334
P6752
P3324
Atom CB of residue 103
P8357
P8454
P2508
Atom HB2 of residue 28
P7803
MD 8
P1
Atom CA of residue 6
P1773
P4648
P6610
P3413
P2268
P5059
P5544
P5727
P11474
P7097
P3081
P1912
P4177
P2708
P6915
P4519
P6898
MovedSingletonContainer3
Atom CG2 of residue 14
P5909
P7797
P6820
P5253
P5085
P7873
Atom HB3 of residue 28
P7947
P2887
P3886
P5720
P7244
P7234
P8370
P4094
P3247
P3596
1G6J_MODEL1.pdb
P1763
P8011
P2152
P3663
P4981
P1531
P4450
P3934
P3594
P7211
P10226
P2289
P7946
P8505
P1874
P2
Atom HG3 of residue 11
P8163
P5242
P3405
P4748
P6753
Atom HG2 of residue 31
P5328
P4681
P5075
P6604
P3566
P6063
P2271
Atom HG21 of residue 61
P5636
P7723
P4060
Atom HE3 of residue 33
P5417
P4820
P5478
P6611
Atom O of residue 40
P8455
Linear1DFunction 3
P6504
P3754
P7804
Atom HA of residue 22
P3414
P4583
P4083
P5728
P6532
P3325
P8358
Atom CG1 of residue 3
Atom OG1 of residue 9
P1918
Atom HH of residue 59
P1774
P4653
P5975
Atom CG of residue 103
P1898
P5721
P5545
P7098
P5910
P3082
P6821
P4178
P11475
P4
P4812
P4528
P3248
P2599
P4520
P6899
P7947
P2704
P5254
P2509
P7874
P5329
P2888
P5086
P3887
P1585
Atom CG of residue 27
P8506
P7798
Atom HD2 of residue 11
P6064
P7948
P6918
P4095
P3406
Atom H of residue 31
P4749
P7235
P3567
P2153
P3664
Atom CA of residue 33
P5418
P1532
P3935
P8012
P3599
P2272
Model 143
P1764
P7212
Restraint 81
P4682
Atom HG2 of residue 6
P8164
Atom HG22 of residue 61
P5637
Atom CG of residue 119
P4982
P5076
P7724
P4451
P5479
P4084
P3572
Atom HG3 of residue 31
P10227
P6754
P1895
P7245
P5976
P1875
P1921
P2290
P5220
P6605
P4584
P5729
P6612
P3326
P4061
P8359
P6510
P5243
Multivariate Normal distribution 17
P6533
P3755
Atom HB3 of residue 28
P4654
Atom NH1 of residue 5
P8456
P7805
Atom CB of residue 40
P5546
Atom CG of residue 60
P7099
P3083
P4179
Atom CG of residue 32
P4813
P4529
P3249
P4521
P6900
P11476
P5722
ModelScoringFunction14
P7799
P5255
P6919
P1775
Atom C of residue 33
P5330
P3415
P8245
P8372
P3600
P2889
P3
P3888
Atom O of residue 15
P5911
P6822
P6065
P3407
P5087
P7875
P7948
P1524
P3568
P2510
P7949
P3665
P2600
P2357
P10228
P1586
P7246
P5419
P7236
P4452
Atom HE21 of residue 41
P6606
Restraint 131
P8013
P4096
P4683
P2705
P3936
P7213
P5638
P4085
P4983
Atom HE3 of residue 1
P8507
P4530
P5480
P8165
Atom CD of residue 11
P3573
P5077
P2154
P5244
Atom HG23 of residue 61
P3756
P7806
P5977
P1876
Atom N of residue 29
P4
PairsRestraint 5
P5221
Atom HG21 of residue 26
P8457
P8246
P8371
Atom N of residue 28
P4585
P6755
P3327
P7725
LEU
P8360
P6511
Atom HG11 of residue 5
P2291
Atom CD of residue 116
P2270
P5730
P6534
P6613
Atom HB2 of residue 31
P4750
P4062
P5912
P1913
P6823
P5547
P6920
P4651
P3084
P3416
P4180
Atom C of residue 20
P4814
P3250
P2605
P4522
P6901
Atom CG1 of residue 13
P5256
P3666
P1776
P7876
P11477
P7100
Atom H of residue 46
P2890
P3889
P5723
P8193
P3408
Atom O of residue 33
P5318
P3569
Atom OD1 of residue 60
P4086
P5088
P7247
P8508
P7800
P6066
P7950
P7949
P7237
Atom OD1 of residue 32
P5731
P4684
P1587
P2511
P8014
P3597
P5639
P10229
Atom HB of residue 3
P4984
P3757
P5420
Atom HG22 of residue 26
P7214
P5481
P3574
P2709
P6607
P1525
P6508
P3937
P8166
P5245
P6756
P5078
P5222
P3417
P4531
P2273
P2155
P4586
Atom HD11 of residue 61
P4751
P6614
P3328
P7726
P4063
P5978
P8361
P2612
P2292
P7807
ALA
Atom HE22 of residue 41
P1877
P6535
Atom CE of residue 116
P1915
P6067
P5548
P6921
P2333
P4652
P7101
P8458
P3085
P4453
P4181
LYS
phys
Atom CG2 of residue 13
P7801
Atom HG12 of residue 26
P4815
Atom N of residue 60
P4523
P6902
Atom CB of residue 33
P5724
Restraint 42
P5913
P6824
P5257
P2891
P1424
P3890
P11478
P8196
P3251
P3409
Atom C of residue 12
P4685
P7950
P5319
P3570
P8374
P3667
P3758
P5979
P5089
P7877
Atom C of residue 25
P7951
P1777
P5732
P1588
P7248
P7238
P6509
P3598
P5640
P4985
P5421
P1916
P8015
P5482
Atom CB of residue 44
P1526
P7215
P10230
Atom HA of residue 46
P8509
P2512
P8167
P8406
P4087
P5223
P5079
P4064
P6608
P3418
P4532
P3938
P2274
P4587
P3575
P3601
P3329
P8362
P8247
P5246
P8459
P8373
P4454
P4752
P1425
P6757
P7727
P1878
Atom HG13 of residue 26
SingletonScore 23
P7808
P7249
P6068
P5549
P2156
P6536
P6615
P3086
P3339
P4182
P4816
P3252
P4524
P6903
P2293
P1307
P5258
P3152
P7102
P2892
P2603
P3891
P1316
P5914
P7802
P1917
P6825
Atom HB2 of residue 73
Atom CA of residue 29
P11479
P4690
Atom HD13 of residue 15
P5320
P4595
P8248
P3668
P1426
P3759
P1593
P5725
P5980
P6922
P7878
P2707
Atom O of residue 25
P2334
P3410
P1778
P5090
P5733
P8510
P7952
Atom HG3 of residue 2
P5641
P10231
P4986
P7951
P5422
P7239
P5483
P6758
Atom CG of residue 33
P6609
P4455
P8016
P3602
P3340
P7216
P2226
P6616
Atom CG1 of residue 44
P5224
P1928
P8168
P4588
P3576
P3330
P5080
P7728
Atom HB1 of residue 46
Atom HB3 of residue 57
P8363
P5247
P7809
P3939
P2513
Atom C of residue 24
P1527
P3419
P2604
P4686
P1801
P7250
P6069
P5550
P8407
P4088
P4753
P1879
P3087
P3153
P4183
P1414
Atom H of residue 6
P6537
P5726
P4817
P6923
P3253
P2157
P4525
Atom HB3 of residue 73
P6904
Atom CE3 of residue 63
P2711
P8460
P5915
P6826
P5259
P4533
P0
P4065
P7103
P2893
P3892
P2294
P7952
GeneralizedGuinierPorodFunction 29
P5321
P4649
P2356
P0
P3669
P11480
P5981
P7803
Atom N of residue 58
P1339
P4456
Atom C of residue 29
P8376
P3411
P5734
P1598
P3341
P5642
P5091
P7879
P4987
P3760
P1802
P5423
P1929
P7953
P5484
P4754
P3577
Atom HG of residue 57
P7240
Atom HA of residue 56
P8017
P2227
Atom CD of residue 33
P5225
P3420
P7217
P4589
P1779
P10232
P2
P6759
P3331
Restraint 3
P8511
P8364
P8169
P5248
P8408
P4089
P5081
P6610
P3940
P6617
P2087
Atom HA of residue 65
P7251
P8461
P6070
P8375
P5551
Atom O of residue 24
P1528
P3089
P2514
P4184
P7810
P4818
P6925
P3254
P2158
P4526
P6905
P6538
P4687
P2713
Atom HD11 of residue 13
P1880
P4650
P5260
P4534
P3670
P1415
P7104
P8250
ASP
P2894
Atom CZ2 of residue 63
P3893
P2295
P7804
P3076
P3412
P4755
P3603
P5322
P2
Atom HZ2 of residue 6
Atom C of residue 44
P3761
P7729
P4066
P5982
P5916
P1973
P6827
Atom HD22 of residue 73
P7880
P11481
P7953
P2079
P10233
Atom HB2 of residue 56
P1591
P3088
P3342
P5643
Atom O of residue 29
P4988
Atom CD of residue 79
P5424
P6611
P5485
P5092
P5735
P3578
P5727
P8512
P7954
P7241
VAL
P5226
Atom N of residue 58
Atom CB of residue 55
P3421
P4457
P8018
P4590
Atom HB2 of residue 65
P3332
P7811
P8365
P7218
P5249
P4090
P1416
P7730
P3941
P0
P8170
P1780
P6760
LEU
P5082
P1797
P2275
P2063
P2177
Atom HA of residue 73
P4688
P7252
P5261
P5552
Atom N of residue 7
Atom CE of residue 33
P6618
P7105
Atom HG12 of residue 26
P1529
P1
Atom CD of residue 29
P5917
P6828
P6071
P4819
P6926
P3255
P8409
P4527
P6906
P3604
P5323
P4535
P3671
P6539
P1592
P4067
P8251
P2515
P2159
P2895
P4185
P3894
P8462
P1881
P4756
P3077
Atom HG2 of residue 6
P4989
P3762
P5728
Atom CB of residue 38
P4596
P3413
P5736
P6
P11482
P5983
P2710
P7805
P3343
P7954
Atom N of residue 80
P5425
P8378
P5486
Atom HB3 of residue 65
P3579
Atom HB3 of residue 56
P3338
P8366
P5093
P10234
P7881
P1417
P2296
P7955
P5644
Atom NZ of residue 33
Atom CB of residue 12
P5227
P6612
P7242
P3422
P1927
P6761
P8019
P5250
P4091
P3606
P4689
P7732
P4458
P2276
Atom OG1 of residue 118
P7219
P1781
P6619
P8513
P8171
P4591
P8410
P6907
P7
P5083
P7812
Atom C of residue 58
P6072
P5262
P5553
Atom HA of residue 45
P3091
Atom H of residue 3
P4068
P7253
P2714
P8463
P4836
P8377
P3256
P4528
P1533
P5324
P4536
P3942
P1798
P7106
P7806
Atom HD21 of residue 69
Atom N of residue 21
P6924
P2160
P2896
P4186
P3895
P6540
P1882
P5918
P6829
P3414
P4757
P3605
Atom N of residue 1
P3078
P3672
P4990
P5729
P5984
P2516
Atom HG of residue 65
P7955
P4597
P3344
P5737
P1418
Atom CG of residue 38
P3090
P8252
P2178
P5645
Atom NZ of residue 29
Atom HB3 of residue 33
P11483
P3763
P5426
Atom C of residue 18
P5487
P4092
P3580
Atom HG of residue 56
Atom O of residue 27
P8367
P0
P7882
Atom CA of residue 30
Atom O of residue 37
P4459
P5094
P5228
P8514
P3423
P7956
P4592
P6911
P3339
P7243
P5554
P5251
P7733
Atom HG2 of residue 54
P6613
P8020
P2297
P7220
P7254
P1919
P6073
P8172
P6762
P5084
ASP
P4187
P7813
P4069
P1534
P4932
P2277
P3257
P10235
P6620
Atom HB2 of residue 45
P5263
P4537
P3943
P3673
P7107
P2897
P8411
P1883
P3415
P1782
P1419
P6541
P1799
P5325
P8265
Restraint 150
P3079
Atom C of residue 25
P4691
P5985
P8464
P5919
P7807
P6830
P6927
P4093
P3896
Atom CB of residue 37
P4598
P3345
P5738
P4758
P5730
Atom CB of residue 27
P2517
P2179
P5646
Atom N of residue 1
P4991
P3764
P5427
P4460
P5488
P6912
P3581
P11484
P4538
P2161
P3607
P7956
P4070
P8380
P4529
P6763
P5229
P3336
P6614
P4593
Atom HE2 of residue 29
P7883
Atom HD2 of residue 33
P8368
P5555
P7957
P5252
P10236
P7244
P3424
P4933
P8021
P1420
P7731
P7814
Atom HD3 of residue 54
P7255
P2147
Atom HG12 of residue 3
P6074
P7221
P2298
P8515
P3092
P4188
P8173
P8412
P5085
P5731
P3258
Atom N of residue 50
P1800
Atom HG22 of residue 12
P5264
Covariance1DFunction 45
Atom C of residue 65
P6621
Atom O of residue 37
Atom H of residue 45
P7108
P8465
P8379
P2898
P3897
P5920
P6831
P6928
P3416
P4759
P2712
Atom C of residue 19
P5326
P8253
P3080
P2278
P3674
P6542
P4992
P7957
P5986
P0
P4094
P1429
P4599
P3346
P3944
P7808
P1957
P1783
P5647
P3337
P4692
P3765
P5434
ListSingletonContainer10
P4461
P5489
P3582
P1887
P1620
Atom HG11 of residue 26
P4539
P7884
Covariance1DFunction 81
P3608
P11485
P4071
P2518
P4530
P5739
P5230
P3425
Atom CG2 of residue 43
Atom HA of residue 49
Atom C of residue 37
P8369
P5253
P2180
P0
P8516
P7958
P2162
P6910
P10237
P6764
Atom HD3 of residue 33
P4594
Atom CZ of residue 74
P7734
P6615
P5556
P8022
P1803
P3093
P7222
P4189
P1446
Atom HE of residue 54
P5732
Atom H of residue 46
P3259
P8174
P2299
P5086
P1922
P5265
P6622
P7815
P5428
P7109
P2715
P6075
P4822
P2899
P7245
P3347
P4760
Atom O of residue 19
P0
P2
P5327
P3081
P2279
P3675
P8413
Atom HD22 of residue 56
P7809
P4462
P4095
P3898
P6543
P4600
P3945
P7260
P8466
P1888
P5921
P6832
P6929
P1784
P5648
P4993
P4693
P3766
P7958
P1621
P5490
P1804
P5987
P8254
Atom CD1 of residue 43
P1439
P3609
P4072
P6616
P4531
P5740
P11486
P5231
Atom HG12 of residue 26
P3417
P4595
P8370
P8382
P5254
Atom CG of residue 29
P7735
P2519
P10238
P7885
P1
P3583
Atom HB2 of residue 49
P7816
P2716
P1
P1
Atom HA of residue 56
P3426
P7959
P2181
P2045
P7246
P5557
P2163
P6765
Atom CB of residue 19
P5429
P3094
P3348
P1923
P8023
P4190
P5858
Atom NH1 of residue 74
Atom HD2 of residue 54
P5733
Model 313
P3260
P7223
P2300
P6623
Atom CB of residue 49
P8517
P5332
P8255
P5266
P8175
P3676
P8414
P4536
P5087
P7256
P7110
P5922
P6833
P6076
P4823
P6930
P2900
P5
P4540
P8467
Model 326
P8381
P3082
P1925
P4694
P3767
P4463
P4096
P4602
Atom HA of residue 46
P4761
P6544
P2717
P5649
P5859
P1427
Atom HG2 of residue 33
P4994
Atom OD1 of residue 25
P2280
P5491
P3418
P5988
Atom OD1 of residue 21
P7810
Atom CE of residue 29
P3610
P7959
P4073
P1346
P5232
Atom HB2 of residue 56
P1886
P3946
P4596
P1785
Atom CD2 of residue 43
P4532
Atom NH2 of residue 74
P11487
P8371
P5255
P5741
P2047
P6617
P2520
P7886
P3899
P3584
P6766
P7257
P4601
P3428
P8518
P5336
P7247
P1617
P5558
P7960
P10239
P1438
Atom HB3 of residue 49
P5430
P3095
P1924
P2182
P7736
P7817
P5734
P8256
P4541
P3261
P2164
Atom HA of residue 33
P6624
P1348
P5267
P7224
P7111
P3349
P2901
P8176
P2301
P5088
Atom CG of residue 49
P7811
P1667
P6077
P3083
P1926
P3677
P4995
P4695
P5923
P3427
P4824
P4464
P6931
P8193
P3
P8024
P4197
P3419
P8415
P4762
P1428
P5650
P5860
P6545
P3768
P7960
Atom HB3 of residue 56
P2281
P5492
Atom CB of residue 29
Atom HE22 of residue 40
P7258
P8468
ClosePairContainer
P3611
P2044
P4074
Atom CG of residue 39
P5742
P10240
P3900
Atom CD2 of residue 67
P5233
P5989
P2718
P6834
P4597
P1786
P4533
P7737
P8372
P5256
Atom CG of residue 43
P11488
P4542
P3947
P3585
UnaryFunction12
P8384
Atom NH2 of residue 42
P6618
P5559
P7887
P5436
P3096
P3350
P1925
P2521
P7961
Atom HA of residue 6
P7248
P1618
P3262
P6767
Atom CG of residue 58
P5268
P8025
P2183
Atom HG13 of residue 3
P7818
P5735
P7112
P8257
P1668
P6078
P2165
P7225
P6625
P8519
P5331
P4198
P8177
P3420
P8416
P5089
P3084
P3678
P2302
P4996
P4825
P4465
P2902
P8196
Atom HD22 of residue 67
Atom HB2 of residue 21
P8469
P4603
P8383
P1927
P4763
P5924
P7812
P6835
P6932
P5651
P5861
P4696
P3769
P7249
P5493
Atom HG21 of residue 3
P6546
P7262
P5990
P3612
P4075
Atom HE3 of residue 27
Atom HG of residue 56
P2282
Atom N of residue 62
P3901
P5234
Atom N of residue 41
P3429
P4598
P4534
Atom HB2 of residue 33
P7961
P8373
P5257
P6768
P6619
P1787
P10241
P7888
P3586
P11489
Atom HZ1 of residue 6
P5743
P6626
Atom HA of residue 67
P2048
P7738
P4543
P5560
P5672
P3097
P1926
P8377
P7819
P5736
P8520
P3948
P7962
P3263
P4195
Atom CG1 of residue 13
Atom HB3 of residue 21
P5269
P8026
P7113
Atom HD23 of residue 67
P3351
P2522
Atom N of residue 45
Atom HG2 of residue 40
P7259
P1664
P7226
P3421
P2184
P4764
P3085
P2166
P8178
P3679
P5001
P4697
P5090
P1755
P5925
P4826
P4466
P2903
Atom C of residue 45
P6079
Atom HB3 of residue 21
P2303
Atom HE2 of residue 33
P7962
P6836
P5652
P5862
P3902
P3770
P7250
P1928
P5494
P8417
P7813
P4604
P1626
P5744
P3613
P6547
P4076
P1309
P5235
P8470
P6933
P4599
P2059
Atom HB2 of residue 67
P8374
P2283
P5258
P5991
P3587
Atom C of residue 56
P5068
P11490
Atom O of residue 58
P5561
P1788
P4535
P10242
P6769
P4997
Atom N of residue 68
P3098
P3352
P1930
P8386
Atom H of residue 68
P7739
P5737
P6620
P3430
P4544
Atom HA of residue 28
P3264
P4196
P7889
P6627
Atom HA of residue 40
P5433
Atom HB3 of residue 59
P8259
P6080
P5270
P7963
P3680
Atom H of residue 33
P7114
P3949
P2904
Atom CG2 of residue 3
P8027
P3422
P7820
P3086
P2167
P7227
P8376
P4698
Atom NE of residue 54
P1756
P8521
P4827
P2523
P8179
P8418
P3903
P5091
P4765
Atom CB of residue 36
P7814
P1665
PHE
P2185
P5653
P3771
P5992
P8471
P7251
P8385
P4467
P5495
P2304
Atom HB3 of residue 67
P5926
P6837
P6934
P5863
P2060
P3614
Atom HD13 of residue 13
P7963
P7261
Atom CB of residue 58
P8258
P1929
P1793
P6548
P5236
P4605
P8028
P5112
P2046
Atom H of residue 9
P8375
P5259
P5745
P4077
Atom HD1 of residue 59
Atom CA of residue 68
P2125
P10243
P3588
Atom HA of residue 68
P4546
P2284
Atom N of residue 22
P2
P5069
P5562
P11491
P7821
Model 305
P3099
P5738
P3265
P7890
P6770
P5673
P6621
P5271
P3681
P4998
Atom H of residue 54
P7115
P8522
P3353
P3431
Restraint 52
P6838
P7964
Atom HB1 of residue 28
P2905
Atom CA of residue 14
P6628
Model 266
Atom HG2 of residue 18
P5927
P6081
P3950
P3087
Atom H of residue 29
P1931
P1622
P4828
P4468
P7228
Atom HD13 of residue 44
P3904
P4545
P2168
P3
P2409
P8180
P3423
P4766
P5092
HIS
P1666
P5654
P5864
P4699
P3772
P7252
P2524
P5496
P4537
P2305
P1751
P6935
P3615
P8197
P1
P1330
P8419
Atom O of residue 118
Atom N of residue 17
Atom HB2 of residue 68
P5237
P5993
P7815
P4606
P8029
P5136
P2186
P6549
P7964
Atom HB3 of residue 40
P8376
P1930
P5260
P4078
P5674
Atom HB2 of residue 1
P8472
P1823
P3589
Atom H of residue 13
P2285
P8379
P5746
P5563
P6771
P4999
P5070
P3100
P3354
P3432
Atom HA of residue 29
P11492
P10244
P6629
P6622
P5272
P8388
P3682
P7740
P7822
P7116
P6839
P2906
P7891
GaussianProcessInterpolation14
P8261
P7965
P3266
P3424
Atom HG13 of residue 3
Atom CG of residue 67
Atom HA of residue 54
Atom NE2 of residue 40
P5739
P7263
P1623
P3088
P8198
P4700
P3773
P1932
P4829
P4469
P4538
P3905
P7816
P1670
P6082
P3951
P7229
P4767
P8523
P5928
P8181
P8420
P5865
VAL
Atom HB3 of residue 68
P5093
MonteCarlo1
P2169
P5497
P2410
P5137
P2306
P5261
P8378
P3616
P7965
P7741
P8473
P7253
P8387
P4547
P5655
Atom HG12 of residue 13
P5238
P4607
P3433
P2525
Atom HG of residue 15
P8030
P6936
P2187
P8377
P8260
P1931
P5747
P10245
P6550
P4079
P5994
P3590
Atom HB2 of residue 29
P5000
P2286
Atom HE1 of residue 59
P5564
Atom SD of residue 12
P7117
P2547
Atom CD of residue 37
P3355
P3
Atom CG of residue 111
P1752
P6623
P5071
P3267
P1791
P7892
P11493
P7742
P5273
P3683
P4539
Atom O of residue 21
P3101
P6840
P2907
P3906
P6772
P5437
P3425
P8380
P4768
Atom N of residue 124
P7823
Atom NH1 of residue 54
P5740
P7264
P8524
P6083
P7966
P6937
P3089
Atom HD1 of residue 68
P6630
P1380
P4830
P4470
Atom OD1 of residue 101
Atom HD12 of residue 67
P1933
P8263
P2411
Atom HB3 of residue 41
P1675
P7230
P5866
P4701
P3774
P7254
P3952
P5498
P8182
P5094
Atom O of residue 1
P5929
P7817
P5262
Atom CG of residue 15
P3617
P4549
P2170
P5656
Atom HB3 of residue 29
P5239
P5995
P4608
P3434
Atom HD11 of residue 15
P8031
P8194
P8378
P1932
P8421
P1390
P5114
P2188
P3591
P2307
P6551
P7966
P4080
MD 18
P2526
P6773
P8474
P5565
LEU
P10246
Atom CA of residue 124
P7746
P3356
P5748
Atom CD1 of residue 111
P6631
P6624
P3268
Atom HA of residue 37
P5072
P5274
P7119
P2
P1753
P3102
P6841
P2908
P3907
P5438
P8390
P4548
P3426
P4769
P1391
Atom CB of residue 21
P7265
P1934
P6938
P3090
P3684
P5113
P7893
P4702
P0
Atom CE2 of residue 59
P4831
P4471
P7967
P8381
P5002
Atom NH2 of residue 54
P5741
Atom HG21 of residue 30
P5930
P2287
P4540
P11494
P3775
P7824
P7255
P6084
P3953
P7231
P5499
P7967
P1700
P8525
Atom HG2 of residue 41
P8183
P8422
Atom H of residue 58
ILE
P3618
P7743
P7118
P5657
Atom HA of residue 2
P5240
P7818
P4609
P3435
P5867
P5749
P1393
P8195
P8379
P8475
P0
P8389
P2171
P2412
P5263
P1669
P8032
Atom OD2 of residue 101
P3592
P2308
P1758
P2
P8262
P6552
P5996
Atom HD21 of residue 25
P5566
P2189
TYR
P3103
P3357
P12288
P4081
P2527
P1933
P3269
P10247
P6774
P5275
Atom N of residue 37
P6625
P5073
P2909
P3908
P6632
P11495
P5439
Atom HB2 of residue 37
P2
P6085
P3427
Atom CB of residue 69
P5742
Atom CD2 of residue 3
P1935
P6842
P6939
P3685
P4544
P7894
Atom HG2 of residue 29
P4703
Atom HD12 of residue 56
P4832
P4472
Atom HB2 of residue 33
P8382
P5003
P7825
P8526
P7968
P4770
P1319
P1
P3091
P5658
P3776
P7744
P1701
P3954
P5500
P7819
P7232
P5997
P3
P4550
P8184
P5241
P1588
P4610
P8033
P5868
GLU
P7968
P8380
P2288
P2172
P5264
P4541
P7266
P1529
P2413
Atom HA of residue 58
Atom CG of residue 8
P3593
P4082
P6626
P3436
P1
P8423
P5750
P12289
Atom CA of residue 9
P5567
P10248
P1685
P3619
Atom CD1 of residue 69
P6553
P8210
P7120
P1762
P3104
P3358
Model 362
P8476
Atom HD22 of residue 25
P5931
P7260
P1934
MovedSingletonContainer11
Atom O of residue 92
Atom C of residue 118
P2190
Atom N of residue 31
P5276
P5115
P8383
P2309
P6843
P2910
P3909
P6775
P11496
P5440
P5074
P2528
P3270
Atom CA of residue 37
P4771
Model 130
P6940
P6633
Atom NE of residue 42
P4704
P7745
Atom HA2 of residue 10
P4833
P8392
P4473
P3686
P5004
P7826
P7267
P6086
P7895
Atom HG3 of residue 29
Atom C of residue 59
Atom HD13 of residue 56
P1531
P7969
P3092
P5659
P3777
P5743
P5932
P5501
P4542
P1694
P7233
Atom CD2 of residue 69
P5242
P8527
P4611
P3437
Atom HB3 of residue 33
P8034
P8185
P8424
P8381
P7256
ModelScoringFunction4
P2289
P2173
Atom CB of residue 92
P5265
P5998
P7820
P3955
P5869
P3594
P7969
P8477
P8391
P3428
GLN
P5568
Atom HB2 of residue 58
P3620
P8211
P3105
P3359
P8264
P2414
P5751
P6554
P6627
P3271
Atom HD2 of residue 6
P6776
P5277
P5116
P2310
P12290
Atom CA of residue 11
P6844
P2911
P2191
P10249
P1699
P3910
P6634
P5744
P5441
P4551
P4083
P5075
P7896
P11497
Atom H of residue 13
P4705
P7121
P4834
P4474
Atom HB2 of residue 69
P7268
P1584
P0
P2529
P6941
P4772
Atom HB of residue 30
P7257
P3093
P1935
P3778
P7827
P1757
P8528
P5934
P7821
P6087
P7970
P5502
P3687
Atom OD1 of residue 119
P5005
Atom O of residue 45
P4543
P1695
P5660
Atom O of residue 59
P4612
P3438
P8035
P7234
P3429
P5870
P7970
P8382
P8186
P5266
P8384
Atom HB3 of residue 58
P1687
P11498
P3599
P8199
Atom HD11 of residue 56
Atom N of residue 37
P5752
Atom HD2 of residue 29
P5999
P5569
P3956
P3621
Atom N of residue 126
P8425
P5243
P3272
P2174
P10250
P6555
P7828
P4084
P5278
P5117
P12291
P6628
P8478
P7258
P3106
P3360
P6845
P1525
P2912
P2415
P2192
P3911
Atom HD12 of residue 13
P5442
P0
Atom CB of residue 101
P0
Atom HG12 of residue 30
P6942
P3094
P2290
P8385
P6777
P5076
P1587
P4835
P4475
P3688
Atom CG of residue 69
P5745
P7269
P6088
P4773
P2311
P6635
P7122
P8394
P4706
P3779
P7747
Model 185
P5935
P1
P2530
P5503
P7897
P5006
Atom CB of residue 45
P1696
PairsRestraint 13
P5661
P8200
P7822
P4613
P3439
P1936
P3430
Atom HD3 of residue 29
P8383
P4552
P2179
P7235
P5267
P11499
P6000
MD 9
P8529
P8187
GLY
P8426
P5244
P4085
P1585
P1696
P5570
P3957
P7971
P8036
P5871
P3622
P7748
P8479
P3107
P3361
P8393
P6778
P6629
P3273
Atom CG of residue 101
P10251
P7829
P5279
P2
P5118
P4545
P5753
P6556
P6636
P7262
P2913
Atom HE2 of residue 33
P2193
P3912
Atom HA of residue 58
P5443
Atom N of residue 59
Atom H of residue 3
P4105
P12292
Atom C of residue 20
P7123
P6943
P3689
P4707
P7971
P4849
P4476
P2416
P7270
P5077
P6846
P4774
GaussianProcessInterpolation65
Atom O of residue 37
P3095
P3780
P5746
P5504
P3431
P7898
P2312
P5007
P2291
P1698
P8530
P5933
P1526
P6089
P7972
P2240
Atom C of residue 37
P5662
Atom CD of residue 51
Atom N of residue 2
P4614
P3440
P1
P2531
Atom H of residue 33
P8384
P4553
P5268
P5680
P3623
P11500
P7972
P7259
P7823
P1937
P7236
P5754
P5245
GaussianProcessInterpolation29
P8188
P1697
P5571
P8037
P3597
P7749
P4086
P7124
P1586
P3108
P3362
phys
P5872
P6001
P3274
Atom CB of residue 90
TYR
Atom HE22 of residue 62
Atom N of residue 41
P7830
P5280
P5119
P8427
P4106
P12293
P4850
P2914
P10252
P3913
P6779
P6557
P5444
P3432
Atom HD2 of residue 45
P6630
P8480
Atom HD13 of residue 36
P6944
P3096
P3691
P4546
P6637
P6090
P4477
P3958
Model 102
P2194
P8386
P1
P5747
P6847
Model 82
P4775
P5078
MolecularDynamicsMover1
P2417
Atom HE3 of residue 29
P4708
P3781
P7271
P1532
P5505
Atom CB of residue 37
Atom HA of residue 33
P5008
Restraint 590
P8396
Atom N of residue 45
P2292
Atom O of residue 68
P3624
Atom H of residue 40
P1317
P5936
P7973
P5663
P7899
P3598
P4615
P3441
P1688
P6002
P8385
P4554
P5269
P3690
P2316
P11501
P7974
Atom OE1 of residue 51
P2532
P5681
P7237
Atom CG1 of residue 61
P8531
P5572
P1938
P8189
P8428
Atom N of residue 63
P7750
P6631
P3109
P3363
P1535
P5755
P5246
P7824
P8038
P3275
P5873
P10253
P7831
P4087
P8481
P5281
P8395
P5120
P4547
P7125
Atom HA of residue 52
Atom HG22 of residue 13
P2177
P2915
Atom N of residue 91
P8387
P3914
P5445
P7261
P3433
P4776
P6558
P3097
Atom CA of residue 59
P6780
P1698
P4478
P2320
P5009
P12294
P7272
Atom HG3 of residue 62
P6638
P4838
Atom CB of residue 68
P4709
P3782
P5079
P1592
P5937
P6848
P6091
P6945
P5506
P7900
P1345
P4102
P3959
P3625
Atom HA of residue 40
P5748
P2418
P2195
P5664
P4616
P3442
P4555
P1689
Atom CG2 of residue 23
P8532
P8386
P7974
P5270
P7975
Atom HB2 of residue 52
P1536
Atom CG1 of residue 13
P2293
P5682
P11502
P4088
Atom HG23 of residue 30
P6003
Atom OE2 of residue 51
P7825
P5573
Atom OD1 of residue 66
P8039
P1939
P7238
Atom HZ3 of residue 29
P7751
P3110
P2533
P8190
Atom C of residue 59
P5247
PRO
P5282
P5121
P4549
P5874
P5756
P3155
P7126
P6632
P4556
P2916
P7832
P5446
P7975
P3276
P8429
Atom HG23 of residue 13
P3098
P10254
P6559
P6639
P3783
P5749
P4479
P2314
P12295
P7273
P8482
ListSingletonContainer589
MD 1
P6849
P3434
P4777
Atom HE21 of residue 62
P4839
Atom NH1 of residue 45
P3692
P8388
P4710
P6946
P5507
P6781
P5010
P4103
P1699
Model 33
P5080
Atom HA of residue 34
Atom HB2 of residue 40
P4089
P3364
P1530
P6092
P5665
Atom HE2 of residue 45
P4617
P3443
P8398
P3960
P4548
P1690
P8387
P5938
P5271
P2196
P7901
P3626
P11503
Atom HA2 of residue 75
P1589
P2419
P3915
P7263
Atom O of residue 59
P7973
P7826
P4557
P5574
P5683
P3156
P3111
GridCPF
P2294
P7239
P5757
P3
P5248
P6004
P8533
Atom H of residue 52
Atom CA of residue 33
P1940
P3277
P8191
P8430
Atom N of residue 30
P7752
P7833
Atom CG2 of residue 3
P5283
P2534
P5122
P7127
P8040
P2917
P5875
P2315
P5447
P8483
JeffreysRestraint_P1
P8397
P7976
P3435
Atom ND1 of residue 68
P6633
P3099
P8389
P4480
P10255
Atom H of residue 8
P6560
P4108
P7274
P4778
P6782
P5939
P4840
Atom HB3 of residue 34
P4711
P3784
P12296
Atom O of residue 39
P5750
P1590
P6093
P5508
P6640
P5011
P3693
Atom CB of residue 59
P4090
P5081
GeneralizedGuinierPorodFunction 13
P6850
Atom N of residue 29
P6947
P5666
P3916
P4618
P3444
P3961
P1691
PHE
P8388
P5272
P7902
P3627
P11504
P1702
P2420
P8534
P7264
P8399
P2197
P3077
P7976
P6005
P3365
P4558
P5575
P7753
P7128
Atom HA3 of residue 75
P3112
P2537
P2295
P5684
P5249
P7827
P7240
P2801
P7834
Atom H of residue 4
P5284
P8192
P5123
P4550
ScoreState 33
P6634
Atom O of residue 33
P1941
P2918
Atom CB of residue 39
P5448
P0
P7977
P8041
P3278
P3436
P5876
P5758
P4779
P6641
P3100
P4712
P3785
P6851
P8431
P5012
P12297
P3694
P10256
P6783
P6561
Atom H of residue 42
P3
P4841
P2535
P4
P8484
P6948
P5509
Atom CA of residue 46
P8390
P4091
P5751
P7275
P5940
P7828
LYS
Atom HG2 of residue 34
P5667
P4191
P5082
P4619
P3445
P4559
P1692
P8389
P3366
ClosePairContainer
P6094
P5273
P3917
P3628
P7977
P8400
Atom N of residue 68
Atom O of residue 26
P7265
Atom HB3 of residue 39
P2198
P7903
P3078
P2802
Atom O of residue 40
P5576
P3962
P7754
P7129
P1703
Atom N of residue 76
P3113
P4481
P2421
P1617
P5250
Atom HG2 of residue 2
P3279
P5685
P7835
P5285
P7241
P3695
P5124
P11508
P6006
P8535
P2919
P8432
ALA
P5449
P7978
P3437
Atom CG of residue 59
P4097
P8042
P3101
P1942
P5877
P5759
P4713
P3786
P8485
P6635
P2296
P8391
P4780
P6642
P3367
P6095
P4842
Atom HD12 of residue 23
P10257
P6562
P4107
P5752
P6
P6852
P5510
Atom CA of residue 3
P6784
Atom HZ1 of residue 29
P5013
Atom HG1 of residue 14
P12298
P4092
P7276
P7829
P2536
P5668
Atom CB of residue 26
Atom CA of residue 35
P4620
P4560
P4551
P1693
P8390
P5083
P5941
P6949
P5274
P7904
P3629
P6007
P3446
Atom HA of residue 25
P3918
P3079
P5577
P2729
P1618
P7755
P7130
P8536
P3114
P8403
Atom HA of residue 23
P11505
P5251
Atom HG23 of residue 66
P7978
P3963
P3280
P4098
GLY
P6636
Atom HD12 of residue 43
P5286
P3696
P5125
P5686
P6785
P4482
P2920
P7242
P2422
P5450
P3368
P3438
Atom CB of residue 40
JeffreysRestraint_P0
P2199
P5760
P4714
P3791
P7836
Atom N of residue 40
P7979
P8043
P5878
Atom HZ2 of residue 29
P7266
ModelScoringFunction5
P1943
P4781
P4843
P3102
P8433
P3919
P5511
P10258
P6563
P6643
P5014
P12299
P4093
P8486
Model 314
P5942
P7830
P6096
P2297
P5669
P4621
P3447
Restraint 151
Atom HB2 of residue 25
P8392
Atom CD1 of residue 59
P1694
P11506
P7979
P5753
P7277
P8391
P7
P5275
P3630
P5084
P8404
P6950
Atom HB3 of residue 52
P1615
Atom CA of residue 67
P4561
P3080
Atom OE1 of residue 24
Atom HD21 of residue 43
P5578
P2731
P3
P3787
P7131
P7267
P3115
P4483
P7905
P5252
P6008
Atom O of residue 75
P3281
Atom HB2 of residue 37
Atom O of residue 35
P5287
P3697
P5126
P6786
Atom O of residue 35
P3964
P2921
P5687
P3920
P2058
P7756
P5451
P7980
P7243
P3439
P4552
P5761
P6637
P8537
P8434
P4715
P7837
GLN
P2423
Atom N of residue 46
P5015
P8044
P1944
P5879
P4782
P2730
P6644
P11507
P4
P5754
P8487
P4844
P3103
LEU
Atom HB3 of residue 25
P5512
P2200
P8393
P3369
P10259
Atom N of residue 53
P6564
Atom N of residue 12
P4094
P7278
P7831
P5670
Model 144
P4622
P2538
P12300
Atom HB3 of residue 38
P6097
P2298
P5276
Atom HG22 of residue 12
P3631
Atom HG2 of residue 37
P5085
P5943
P3448
P4562
P6951
P3081
P1619
P7980
Atom HB2 of residue 15
Covariance1DFunction 41
P5579
P2
P7268
P3116
P7906
P5253
Atom OE2 of residue 24
P4484
P3282
P2150
P8538
P8397
P5288
P3698
P5127
P6787
P3788
P6009
P7132
P2922
P3921
P7757
Atom H of residue 35
P5452
P7981
P3440
P4553
P5688
P5762
P3965
P3104
P7244
P5513
P5016
P6638
P3370
P1945
THR
P4845
P8045
P5880
P4716
P2424
P1
P5944
P8435
Atom CD2 of residue 59
P4783
P12301
P4095
P5755
Atom HG of residue 43
P6098
P2201
P5671
P10260
Atom HA of residue 52
P6565
P6645
Atom H of residue 56
P4623
P3449
P3812
P1707
P1620
P8488
P7832
P5277
P3
P3632
P8394
P7279
P4485
P4563
P2539
P2299
P3082
P8398
P5086
P4655
P5580
P6952
P3789
Atom HB3 of residue 37
Atom H of residue 17
P7269
P3371
Atom CD1 of residue 4
P11509
P5254
P7981
P6010
P3283
Atom CE1 of residue 59
P5289
P3699
P5128
P7907
P6788
P7133
Atom CA of residue 10
P3117
Atom C of residue 20
P2923
P3922
P5453
P7982
P3441
P4554
P2732
P6639
SingletonScore 20
P3105
P5689
P4717
P7758
Model 416
P5514
P5763
P6646
P2053
Atom HG3 of residue 38
P8539
P8436
P4784
P7838
P4846
P4486
P5677
Atom CA of residue 53
P3966
P8046
P5881
P5017
P7833
Atom O of residue 15
Linear1DFunction 30
P2202
P8395
Atom N of residue 67
P8395
P4624
P3450
P1946
P3860
P7245
P2425
P10261
P1697
P6566
Atom CA of residue 22
P5756
Atom CG of residue 11
P5945
P5278
THR
P3633
P4096
UnaryFunction31
Atom HD22 of residue 56
P4656
P11510
P3790
P12302
Atom HA2 of residue 35
P6099
P4564
P2300
P3083
P7982
P7280
P5581
P5087
P7270
P3118
P3372
P6953
P7908
P5255
P1531
P2540
P3284
P5764
P5290
P5129
P7134
P2924
P4555
P3923
Atom OG1 of residue 22
P7759
P5454
P8540
P3442
P2733
P6789
Atom CG1 of residue 3
P6011
P0
P4847
P3106
P3700
Atom HA of residue 12
P4718
P5678
P5690
P5018
Atom CB of residue 14
P8396
P7246
P4487
P7983
Atom CA of residue 27
P6640
AngleSingletonScore10
Atom O of residue 56
P3967
P5515
P0
P6647
P7839
P6100
P8047
P5882
P1622
P8193
P5757
P7834
P4556
P4785
P1353
P4625
Restraint 132
P1947
P8437
P5279
P2
P2203
P10262
P3634
P6567
P4657
P2426
Atom HD2 of residue 59
P1702
P2054
P12303
P5946
P3451
P1532
P4565
P3084
Atom OG1 of residue 12
Atom H of residue 5
P5582
P8396
Atom HA3 of residue 35
P7281
P6012
P4106
P3119
P3373
Atom CB of residue 15
P2301
GeneralizedGuinierPorodFunction 42
P5256
P7840
P5088
P6954
P3285
P3810
P7271
P5291
P3701
P5130
P6790
P7983
P7135
UnaryFunction32
P2925
P3924
P5455
Atom OG1 of residue 14
P6641
P2541
P3443
P5765
P7909
P2734
Atom N of residue 22
P3107
P4721
Atom C of residue 27
P1354
Atom O of residue 75
Atom CE2 of residue 59
P5019
P1626
P3792
P7247
P4557
P5691
P7760
Atom O of residue 27
P1540
P4853
P4488
P7984
P4786
P7841
P8541
P5516
P8438
P11511
Atom HD11 of residue 23
P0
P5675
P8196
Atom CB of residue 56
P7835
P3968
P8048
P5883
P6648
P4107
P4626
P3452
P4566
Atom O of residue 20
SingletonScore 21
P5947
P6101
P5280
P8397
P4658
P0
P10263
P6568
P7984
P5758
P2204
P3085
P5583
P3635
P2055
P4719
P12304
P7136
P7272
P3120
P3374
P1948
P2427
Covariance1DFunction 66
P1704
P5257
P7282
P3286
Atom H of residue 75
P5089
P5292
P2544
P6955
P2302
P5131
P6791
P7761
P6013
Atom HE21 of residue 2
P2926
P3925
Atom HZ3 of residue 11
P5456
P3444
Atom CZ of residue 59
P7910
P2735
P11512
P7842
P3108
P3861
P3702
P4787
P8542
P4854
P5766
P3793
P6642
P5676
P4558
Atom CB of residue 20
P1542
P4489
Atom HB of residue 3
P5692
P7248
P5517
P6649
P5020
Atom HA of residue 42
P2542
P7985
ModelScoringFunction15
Atom HD22 of residue 15
P2059
P4627
P4567
P8049
P5884
Atom O of residue 38
P3969
P5281
P3636
Atom N of residue 2
Atom CB of residue 27
P4659
P8439
P12305
P7836
P3453
P6102
P10264
P3086
P6569
Atom HZ2 of residue 29
P5759
P5584
P1700
P1621
P4103
P5948
P7273
P3121
P1949
P7249
P2205
P5258
P7985
Atom HD11 of residue 13
P3287
P8398
P7283
P5293
P3703
P5132
P6792
P4720
P7137
Atom HA of residue 15
P5090
P3375
P6956
P1
P2927
P2428
P4559
P3926
P6
P5457
P2303
P3862
P5767
P2736
P11513
Atom OD2 of residue 21
P6014
P3109
P4788
P7762
P3073
Atom OH of residue 59
P7911
P5021
P2060
Atom H of residue 15
Atom CA of residue 24
P4851
P3445
P7843
P4490
P7986
Atom CA of residue 75
P6643
P5518
P5693
P3794
P1539
Atom HB of residue 5
P8543
P8440
Atom C of residue 41
P3637
Atom N of residue 26
P5949
P4628
P4568
Atom CB of residue 38
Atom HZ3 of residue 29
P6103
P2543
P8050
P5282
P5885
P6650
P4108
P4660
P1440
OptimizerState 0
P7837
P3454
P3970
P8399
P3087
P5760
P5585
P10265
P1701
P6570
P7
P7274
P3122
P7250
P5259
P3288
Atom N of residue 7
P12306
P5294
P3704
P5133
P2206
P7986
P7284
P6015
P7138
P3376
P2928
Atom HH22 of residue 74
P4560
Atom H of residue 59
Model 267
P3927
P5458
P5091
P6957
P3813
P3446
P7912
P2737
Atom CG of residue 43
P4852
P1950
P2429
P4789
ModelScoringFunction7
P0
P2304
P3074
P6793
Atom HG3 of residue 11
P11514
P5022
P2061
P4722
P3795
P6644
UnaryFunction33
P7763
P8544
Atom HD12 of residue 30
P4491
P3110
P5768
P6651
P1441
P5519
Atom O of residue 41
Atom CA of residue 30
P7844
P5694
Atom HE2 of residue 33
P4629
P4569
P7987
Atom H of residue 8
P5283
VAL
P4661
P8051
P5886
P3638
P5761
P5950
P3455
P3971
P3089
Atom CB of residue 12
Atom N of residue 7
P5586
P8441
P1705
GaussianProcessInterpolationRestraint 34
P7139
P4111
P3123
P1534
Atom HA of residue 30
P6104
P7251
P10266
P6571
P5260
P7987
Atom CB of residue 13
P3289
P12307
Atom CD1 of residue 43
P5295
P3705
P5134
P2207
P1442
Atom H of residue 33
P3377
P3814
P8400
P5769
Atom HD2 of residue 11
P7285
PairPredicate 10
P3
P7275
P2738
P11515
P5092
P6958
P3111
P3060
P4790
P7764
MonteCarlo3
P0
P2305
P2929
P4561
P3928
P3088
P6794
P5023
P6016
P1951
P3447
P7845
P4492
P2430
P2142
P7913
Atom CA of residue 2
P5520
P3796
P5459
P1535
P6645
P5695
P6652
P4630
P3456
P6105
P4570
P8545
P8242
P7988
P5284
P8442
Atom CA of residue 41
P2073
Atom HB of residue 30
P4662
P2545
Atom N of residue 55
P3639
P5261
P4723
P5762
Atom HA of residue 33
P8052
P5887
P4105
P5587
Atom HE of residue 74
Atom HB2 of residue 59
Restraint 281
P1706
P1430
P7140
Atom HA3 of residue 76
P5951
P7838
P3124
P3972
P7252
P8401
P3290
P10267
P6572
P6017
Atom HA of residue 4
P5296
P5135
P2208
P3378
P2930
P12308
P7276
P2739
P7988
Atom CD1 of residue 8
P7286
P3112
P3815
P3061
P4791
P6646
P5093
P6959
P2306
P4562
P3929
P5024
P3797
P5460
P3448
Atom CD1 of residue 23
P4493
P3706
P7914
P6795
P11516
P5521
P7765
P8546
P1952
P3334
P3640
Covariance1DFunction 94
P2074
P7846
P4631
P5696
P5770
P5285
P6653
P1431
P1317
P7989
P2431
THR
P5262
Atom CD2 of residue 43
P5952
P3457
P6106
P4571
P3091
P5588
P8053
P5888
P1689
Atom N of residue 19
P7989
P5763
P7141
P3125
P4663
P3973
P4724
P2245
Atom HD22 of residue 8
P3291
P8443
Atom HB3 of residue 59
P12309
Atom HG13 of residue 36
P7839
P5297
P7253
P5140
P10268
P6573
Atom H of residue 23
P3379
P4563
P3449
P2740
P7766
P6018
Atom O of residue 7
P3113
P3707
P8402
P3062
Atom CA of residue 43
P7277
P8244
P2931
P3930
P3090
P6796
P5025
P3798
P7847
MET
P5461
GLY
P5094
P6960
P3816
P2209
P4494
P4792
P6647
P2236
P5522
P11517
P7840
P1703
P7915
P1432
P2307
P5774
P6654
P5764
P7287
P4632
P4572
P3336
P2062
Atom HA of residue 17
P5286
P5697
Atom HA of residue 59
MolecularDynamicsMover2
P3641
P4725
P8547
P3458
P8245
P1812
P7990
P1953
P4
P8444
P5589
P5141
Atom HB of residue 23
P7142
P1481
P3126
P6107
P4664
P3974
P8054
P7254
P2432
P5889
P5263
Atom HA of residue 46
Atom CD of residue 38
P7841
P3292
Atom CA of residue 55
P1693
P5953
P5298
P8403
P5771
P7990
P3380
P2932
P4564
P10269
P6574
bonded
Atom HG21 of residue 36
P7278
P3450
P2741
P3114
P3708
P3063
P12310
Atom O of residue 11
P5026
P7288
P6019
P1
P2210
P1433
P4726
P7767
P4495
P6961
P3248
P4793
P7916
Atom H of residue 42
Atom O of residue 76
P3817
P5523
P3931
P3799
P7848
P5462
P5772
P6797
Atom HD12 of residue 23
P11518
P6648
P2308
P3642
P2063
Atom HZ2 of residue 11
P8548
P4633
P3459
P4573
P5287
P1482
P5954
P7842
P5698
Atom HB of residue 17
P5765
P6108
P3975
P3092
P6655
P5590
P7991
Atom HG23 of residue 22
P1708
P3127
P3381
P4665
P1954
P7255
P1694
P5264
Model 327
P4
P8055
P3293
P5890
Atom HG2 of residue 29
P5299
Atom HA of residue 23
Atom HB1 of residue 46
Atom HA of residue 38
P2234
P2933
P2433
Atom C of residue 55
P8445
P4565
P5138
P10270
P2742
P6575
P1434
P7991
P6020
P3115
P3709
P3064
P6798
P12311
P7143
Atom HG22 of residue 36
MD 2
P3932
P5027
P3800
P7289
P3451
P5095
P8404
P4727
Atom H of residue 69
Atom C of residue 11
P7279
P1808
P3249
P4794
P6649
P6962
P5524
P7768
P5463
P2211
P5776
P6656
P1483
Atom H of residue 76
P4496
P3818
P11519
P7849
P4634
P3460
P8243
P4574
P7917
Atom HD12 of residue 61
P5
P5288
P1715
P3643
P5699
P3093
P1435
P2064
P5591
P2309
Atom C of residue 32
P5766
P8549
P5955
P7843
P3128
P4666
P7992
P8446
P1690
P5265
P3294
Model 186
P6109
P5300
Atom N of residue 7
P8056
P1955
P5891
Atom HD22 of residue 69
P7992
P7144
P2885
P2235
P3382
P3976
P2934
Atom HG3 of residue 29
P5139
Atom CG1 of residue 61
P8405
P5773
P2743
Atom HB2 of residue 46
Atom HB2 of residue 38
Atom HA of residue 61
P3116
P3065
Atom N of residue 23
P10271
P1809
P2434
P4566
P5028
P3801
P3452
P5120
P4728
P7769
P12312
P1486
P3710
P4795
P6799
P7290
P6021
P7280
P7260
P5525
P1719
P1436
P7850
CYS
P5464
Atom O of residue 76
P6963
P3933
Atom NH2 of residue 42
P4497
P3819
P3644
P6576
Atom HA of residue 69
P4635
P3461
P4575
P1959
P2
P7918
P11520
Atom HA2 of residue 76
P6650
P5289
P3250
P6657
P8550
P6110
P4667
P5767
P1
P2174
P4939
Atom HA of residue 28
P2212
P3094
P5592
P2310
P5700
Atom H of residue 6
P7291
P3129
P3387
Atom HG21 of residue 30
P5266
P2065
P7993
P3295
Atom HB of residue 61
P5956
P7844
P5301
P3977
P8057
P2935
P4567
P5892
P1722
P1437
P6022
Atom HG2 of residue 64
P7256
P5124
P2744
P3117
P3711
P3066
P4796
P12313
P7145
Atom C of residue 75
Atom OE1 of residue 2
P1810
P10272
P6577
P5029
P3802
P7993
P3453
P1691
Atom HG2 of residue 42
P3934
P4729
Atom C of residue 26
P1488
P6651
ModelScoringFunction8
P1990
P2435
P8248
Atom HB2 of residue 69
Atom HB of residue 55
P5526
P8406
P5465
P7281
P6800
P3383
P4498
P6964
P3820
P5775
P3645
P1445
P7770
P2886
P4636
P4576
Model 363
P5290
P3251
P11521
P7851
Atom CA of residue 76
P7919
Atom HA of residue 14
Atom HG3 of residue 29
P4940
P3095
P6658
P5593
P7257
Atom CD2 of residue 4
P7292
P5957
P7845
P3130
Atom HA2 of residue 35
P6111
P4668
Atom HB1 of residue 28
P2213
P8249
P5701
P5267
P2066
P3462
P3296
P7994
P5768
P8551
P5302
P7994
P3712
Atom CD of residue 18
P7146
P2936
GaussianProcessInterpolation50
P1696
Atom HD13 of residue 23
P0
P8058
P2311
P3454
P5893
P3935
P2745
P3118
P3067
P4797
P1817
P8407
P4568
P6578
P3803
P6023
GLN
P10273
P4730
Atom HD13 of residue 50
P4499
P3978
P6801
P7852
P5527
P5096
P8265
P5030
P12314
P5466
P1484
Atom HG3 of residue 64
Atom HB3 of residue 69
P6652
P7282
P7258
P2436
Atom HD2 of residue 29
P4637
P6965
P7920
P7771
P5291
P3252
P6659
P5769
P3384
P1958
P3646
P11522
P8214
P4577
P3
P3096
P1447
ILE
P8552
P2888
P5594
P3821
P7293
P3131
P4669
P2214
P5268
Atom O of residue 14
P3463
P3297
P5702
Atom HA3 of residue 35
P6112
P5303
Atom CG2 of residue 23
Atom HD11 of residue 23
P2067
P7147
P1818
P7995
Atom HG2 of residue 34
P2937
P4618
Atom CA of residue 21
P5958
P7846
Atom OE2 of residue 18
P3936
P2746
P7995
P8059
P3119
P3713
P3068
P5894
P5777
P4798
Atom HG21 of residue 55
P2312
P4569
P1700
P5031
P1485
P3455
P4731
P4500
P10274
P6579
P6024
P5528
Atom SD of residue 1
P5097
P3804
P12315
Atom CE of residue 1
P5467
P2677
Atom HD21 of residue 50
P3979
Atom CG2 of residue 12
P3385
P1
P7262
P8408
P3647
P7853
P7283
P6802
P7772
P6653
P6966
P5292
P3253
P1
Atom HE2 of residue 48
P1443
Atom N of residue 65
P2437
P8250
P4638
P3464
P4578
Atom C of residue 4
P3097
P11523
P5959
P7847
P5595
P7921
P6580
P7294
P7148
P3132
P6113
P4670
P4619
P6660
P5269
P8215
P3298
Atom HA of residue 69
GaussianProcessInterpolation25
P5304
P3822
P5703
P2068
P2938
Atom C of residue 3
P4570
P8553
P7996
P3937
P2747
Atom C of residue 23
P3120
P7259
P3715
P2215
P3069
P5778
P4799
Atom H of residue 48
P5770
P8060
P7996
P6025
P3456
P6803
P1444
P4732
Atom CD of residue 40
Atom HG22 of residue 55
P1813
P8409
P3386
Atom N of residue 35
P5529
P5098
P10275
Atom HG13 of residue 23
P5032
P3805
Atom HB2 of residue 51
P5468
P2678
P2313
P6654
P4501
P7773
P12316
Atom HD1 of residue 59
P4639
P4579
P3980
P5895
P6661
P2887
P7284
P5293
P3254
P3714
P7854
Atom N of residue 40
SER
P6967
P2438
P3648
P3465
Atom O of residue 23
P3098
Atom HD12 of residue 61
P5596
P7922
P6581
P11524
P1349
P3133
P4671
P4620
P8251
P1695
P5270
P8201
P8554
P3299
P7295
P5960
P7848
P5305
Atom HA of residue 48
P7149
P2939
P5704
P6114
Atom H of residue 49
P3938
P2748
P7997
Atom O of residue 23
P5774
P7997
P3121
P3070
P5779
P4800
P2
P2657
P2890
P4571
Atom CG1 of residue 44
P8061
P3823
P2216
P5896
P4733
Atom HB3 of residue 69
P8489
P4502
P1814
P5530
P5099
Atom HG22 of residue 23
P2069
P3806
P12317
P5469
Atom HD13 of residue 3
Atom OE1 of residue 40
P3457
P10276
P6804
P6026
GaussianProcessInterpolationRestraint 18
Atom N of residue 25
Atom HB3 of residue 51
P7774
P7855
P4640
P7261
P5771
P5294
P3255
Atom CG of residue 2
P8410
P2
P7285
P3981
P2314
P8252
P6655
P3466
Atom HH21 of residue 72
P6968
P3099
P6662
P1327
P2360
P6115
P5597
Atom HA of residue 49
Atom HB2 of residue 48
P6582
P7296
P7150
P3134
P4672
P2439
P4621
P3649
P5033
P5271
P8202
P3388
P4580
P7923
P5306
P3071
Atom HD13 of residue 13
P2940
P5772
P2891
P5961
P7849
P3300
P5705
P3939
P2749
Atom HG23 of residue 23
Atom NE2 of residue 2
P3122
P4801
P6027
P2658
P8555
P7998
P4572
P11525
Atom O of residue 13
Atom CD of residue 24
P1438
Atom NE2 of residue 40
P3458
Atom HG2 of residue 2
P2217
P5897
P4734
P4503
P1815
P8062
P3716
P7998
Atom HE3 of residue 1
P3824
P5531
P5100
P3807
P5470
P6656
Atom C of residue 33
P8411
P10277
P4641
P3467
P6805
P5598
P5295
P3256
P2070
Atom HG2 of residue 51
P7775
P12318
P5780
P3650
P5034
P7286
P4584
P3100
P7856
P3982
P6969
P2315
P3076
Atom CB of residue 23
P7924
P6583
Atom CA of residue 14
P7297
P3135
P2361
P4673
P6663
P5272
P8203
P3301
P1349
Atom HB2 of residue 49
Atom HG12 of residue 23
P11526
P5962
P7850
P6116
P5307
P8253
Atom HD12 of residue 69
Atom N of residue 3
P8556
P2941
P2440
P4573
Atom CG2 of residue 44
P7999
Atom OE1 of residue 24
P5776
Atom HB2 of residue 59
P3389
Atom HH22 of residue 72
P3459
P2750
P3123
P4622
P5706
P2659
P4581
P7263
P7999
P5781
P3940
P4735
P1816
P7776
P6028
P8063
P5532
P5101
P5898
P4802
P3808
P5471
P3717
P3
P6806
P1315
P7857
Atom CG of residue 21
P7151
P3
ListSingletonContainer586
P2
P2889
Atom O of residue 33
P1350
P3152
P10278
Atom HG2 of residue 63
Atom HD22 of residue 67
P6657
P5599
P3825
P5296
P3257
Atom CG1 of residue 23
P12319
Atom CD1 of residue 69
Atom CA of residue 6
P2218
P5773
P4642
P3468
P8412
P6664
P2071
Atom CA of residue 73
P8254
P5035
P7298
P3136
P4674
P6970
P5899
P3651
P5273
P3983
P2316
P3302
P3101
P6584
P11527
P5308
P4504
Atom HB of residue 66
P2362
P1334
P4582
P2942
Atom HB3 of residue 49
P2627
P7925
P8204
GridCPF
P3390
P1
P6117
P3460
P3941
P2751
Atom HA of residue 67
P7287
P3124
P4623
Atom HB3 of residue 59
P2660
Atom CA of residue 43
P5963
P7851
P7264
P2441
P3809
P8000
P3718
P5782
P4736
P7152
P8557
P1819
P8000
P5533
P5102
P4574
ILE
Atom HG3 of residue 63
P5472
P2892
LEU
P8064
P6029
P7777
P4643
P3469
Atom CB of residue 33
P8413
P5710
Atom OD1 of residue 21
P5297
P3258
P10279
P7858
Atom CZ of residue 54
P3652
P6807
ARG
P6658
P3102
P12320
P5600
P6585
Atom HG1 of residue 66
P0
P7288
P3137
P4675
P3826
P5900
P5274
P2072
P5964
P7852
P6971
P2219
P3075
P5036
Atom HB2 of residue 67
P6118
P5309
P6665
P4583
P2317
P2943
P7926
Atom HG11 of residue 5
P11528
P8205
P7299
P3391
P3303
P3461
P8255
P3942
P2752
P5775
P7153
P8558
Atom HD13 of residue 61
P3984
P1824
P3125
P3719
P4624
P2661
P2363
Model 59
P7265
P4578
P5707
P3810
Atom N of residue 66
P4505
P5783
P4737
Atom HD22 of residue 25
P2442
P8001
Atom CG of residue 15
P6030
P8001
P5534
P5103
P6808
Atom HD2 of residue 63
P5473
P2893
P8065
Atom HD2 of residue 54
P11529
P5037
P4
Atom O of residue 27
P4644
ScoreState 18
Atom HE22 of residue 2
P6659
P5298
P3259
P7778
P12321
P4575
P10280
P3103
P7859
Atom O of residue 67
P5601
P6586
P7154
ClosePairContainer
P7289
P3138
P4676
P3988
P1825
P8414
P5901
Atom C of residue 23
P3653
P5275
P3392
P3304
P2220
P8256
P5708
Atom CA of residue 74
Atom HG21 of residue 66
Atom HG21 of residue 30
Atom CA of residue 62
P5310
P6972
P3827
P2618
P2078
THR
P2
Atom HD3 of residue 72
P2318
P2944
Atom NH1 of residue 54
P6666
P8206
P7300
P5965
P7853
P4506
Atom CB of residue 25
P2753
Atom H of residue 67
P2896
P3126
P3720
P4625
P7927
Atom HD21 of residue 25
P2662
P3470
P6119
P3811
P8002
P2813
P5784
P3943
P4738
P3
Atom HG12 of residue 5
P2364
P5535
P5104
P5038
P5474
Atom N of residue 26
P8559
Atom N of residue 62
P8002
Atom HB3 of residue 15
P3462
Atom CA of residue 66
P2443
P4576
P11530
Atom HD3 of residue 63
P7779
P4645
P4585
P1826
P8066
P6809
P6031
P1
P5299
P3260
P5709
P7860
P8415
P3654
Atom HG2 of residue 37
P7266
P10281
P5777
P4507
P5602
P6587
P7155
P6660
P3140
P4677
P3990
Restraint 152
P5902
Atom HZ1 of residue 6
P7928
P5276
P12322
Atom CG of residue 6
Atom CB of residue 27
P3393
P6120
P3305
P3104
P7290
P5311
P3721
P3471
P6973
P2945
P2221
P6667
P8207
P3828
P2619
P2754
Atom CA of residue 69
P3127
P2319
P4626
Atom NH2 of residue 54
P7301
Atom C of residue 66
P2663
P2897
P5966
P7854
Atom CG of residue 25
P8257
P5039
P3812
P8560
P1820
P3463
P2814
P3944
P4739
Atom HD22 of residue 25
P6032
P3139
P7267
GaussianProcessInterpolation78
P5536
P5105
P5785
Atom HD13 of residue 73
Atom CD1 of residue 67
P5475
P7291
P8003
P2365
P8003
P4577
Atom O of residue 127
P11531
P6661
P4646
P3655
P1342
P8067
P5300
P3261
P4678
P2444
Atom HZ3 of residue 6
P6810
P12323
P3472
Atom HB of residue 5
P4586
Model 83
P8260
P3105
P7780
P5778
P5603
P10282
Atom HA of residue 27
P3452
Atom HG3 of residue 37
P5277
P7861
P4508
P3306
Atom CA of residue 11
P5312
P3722
P8416
P5903
P6668
MET
P2946
P6588
P8208
P7302
Atom O of residue 66
P5967
P7855
P3394
P6121
P6974
P2620
P2755
Atom HA of residue 5
P2075
P3128
P4627
Atom H of residue 54
P2222
P8004
P7156
P2664
P3829
P5040
P3813
P3987
P1821
P2320
P3464
Multivariate Normal distribution 18
P2815
P5786
P7929
P3945
P4740
P7268
P5537
P178
Atom CD2 of residue 67
P5476
P7292
P7781
P6033
Atom C of residue 12
Atom CB of residue 127
P11532
P8561
P4647
P8004
P6811
Atom H of residue 20
P7862
Atom HD23 of residue 73
P1612
P2894
P3473
P5301
P3262
Atom CA of residue 57
P2366
P8068
P6662
P4509
P4587
P5106
P5711
P3656
VAL
P5779
P5604
P2445
P8417
Atom HB2 of residue 27
Atom HB3 of residue 37
P4679
P5904
P10283
P5278
ListSingletonContainer427
Atom HZ3 of residue 29
Atom CB of residue 67
P3395
P3307
P3106
Atom HD12 of residue 3
P5313
P3723
Atom O of residue 32
P6669
P12324
P7157
P3141
P2947
Atom O of residue 50
P4579
P1438
P6589
P8209
P3453
P3465
P2756
Atom C of residue 7
P6975
P3129
P4628
Atom N of residue 7
P2665
P6122
P8261
P5041
P3814
P1834
P2223
P2816
P5787
P3946
P4741
P7303
P1613
P5968
P7856
P3830
P7269
P8005
P8562
Atom CG of residue 21
P2321
P5538
P5477
P7293
P7930
P1314
P5712
P2621
P4648
P4588
P5107
P6034
P3474
P8005
P5302
P3263
Atom SG of residue 127
Atom HB of residue 5
P11533
P7782
Atom HA of residue 20
Atom HD21 of residue 73
P4510
Atom CG of residue 128
P8069
P3107
P3657
Atom CA of residue 26
P7863
P5605
Atom HZ2 of residue 6
P6812
P6663
P2895
P2367
P4680
Atom CG of residue 113
P5905
P5279
P12325
Atom CG of residue 67
UnaryFunction19
P3396
P3308
P10284
P1439
P5314
P1823
P2446
Atom N of residue 30
P7158
P5969
P7857
P2948
Atom CB of residue 50
P6123
P8418
P3947
P2757
P6670
P3142
P3130
P3724
P4629
Atom CE of residue 12
P6590
Atom C of residue 57
P2666
P6976
P4580
P5042
P1747
P3466
P2224
P2817
P5788
Atom C of residue 17
P4742
P5780
P3411
P3831
P7270
P7304
P2322
P5539
P8258
P7931
P3815
P179
Atom HG2 of residue 42
P5478
P7294
P8006
P6035
Atom OD1 of residue 21
P6813
P11534
Atom H of residue 32
P4653
P4511
P4589
P5108
P5713
P5303
P3264
P0
P4681
P8006
Atom CD of residue 18
P6664
P2622
P3108
P3658
P7783
P5606
P8070
Atom O of residue 75
P6671
Atom N of residue 41
P2368
P5906
P5280
P7864
P5781
P3309
Atom HB3 of residue 64
P8419
Atom C of residue 57
P1610
P5315
P3725
P2229
P10285
P7159
P2898
P2949
P6591
P3397
P3475
P3467
P2758
P12326
P3143
Atom CD of residue 42
P3131
P4630
Atom CA of residue 50
P1435
Atom HA of residue 2
P2667
P5970
P7858
Atom CD of residue 128
Atom HB3 of residue 42
P4581
P5043
P3816
P180
P6977
P2818
P3948
Atom O of residue 57
P6124
P4512
P2447
Atom H of residue 40
P8007
P2323
P5540
Atom CA of residue 27
P7305
P5479
P1836
P3832
P7271
P4743
P5789
Atom CA of residue 55
P11535
Atom OE1 of residue 18
Atom O of residue 57
P7295
P4654
P4590
P7932
P3412
P5304
P3265
P5714
Atom HD22 of residue 73
P7784
P6814
P6036
P8007
ILE
P5109
P2232
P3109
P3659
P7865
P5607
P7160
Atom HG of residue 73
JeffreysRestraint_P1
Atom HZ3 of residue 48
P8071
Atom C of residue 50
P8259
P2623
Multivariate Normal distribution 33
Atom HB2 of residue 2
P5281
Atom HA of residue 32
P5782
P3476
P3310
Atom CB of residue 75
Restraint 85
P1611
P6665
P5855
P1456
P6672
P8212
P1742
P2369
P4682
P2950
P10286
P3398
P3468
P5907
P2759
P12327
P2899
P3144
Atom HE3 of residue 29
P3132
P3726
P4631
Atom HA of residue 73
Atom HA of residue 40
P2668
Atom C of residue 23
P8420
P4582
P5044
P3817
P1837
P2819
P6592
P5971
P7859
P4513
P6978
P7272
P6125
P5541
P5480
Atom HD23 of residue 56
P7296
PairPredicate 3
Atom CG2 of residue 120
P4744
P7306
P2448
P5790
P7933
P11536
P4591
P3833
Atom HB3 of residue 2
P8008
P5305
P4651
P2324
P5715
P3413
P5110
P3949
P3110
P6037
P3477
P5857
P5608
Atom CB of residue 45
P8008
P3266
P6815
ListSingletonContainer428
Atom N of residue 7
Atom C of residue 27
P7161
Atom CA of residue 30
P4686
P2624
Atom H of residue 58
P5282
P8213
P7785
P5783
GLY
P8072
P3311
Atom C of residue 65
P3660
Atom N of residue 49
P3727
Atom HB2 of residue 73
P1449
P0
P7866
P1614
P6666
P2951
P8421
P4583
P3399
P3
Atom CA of residue 40
P2228
P5908
P10287
P2760
P6673
Atom N of residue 57
P3145
P1827
Atom C of residue 10
P3133
P4632
Atom N of residue 14
Atom NH1 of residue 54
P2669
P5972
P7860
P2370
P5045
P3818
P12328
P2900
P2820
Atom N of residue 121
P8009
P1743
P4683
P7273
P6593
P6126
P6979
P5542
P5481
P7297
P4745
P4514
P7307
Atom HB3 of residue 32
P4592
P3950
P7786
Model 145
P3478
P5306
P3267
P5791
P4652
P2325
Atom CB of residue 17
P3834
P2449
P7934
P6816
P1330
P7867
Atom CB of residue 37
P0
P3469
P5111
P5716
P3111
P3661
P11537
P1769
P6038
P5609
P2404
Atom HB3 of residue 73
P4193
P7162
P3414
P1828
P8009
P5283
P5784
P11
P3400
P3312
P1437
P8073
Atom CB of residue 35
Atom CA of residue 14
Atom N of residue 40
P6674
Atom NH2 of residue 54
P6667
P2952
P1217
Atom O of residue 65
P4584
GLN
P5829
P2625
P2761
ScoreState 46
P12329
P1615
P3146
P4684
P3134
P3728
P4633
P10288
P2670
P5909
P5046
Atom HA of residue 58
P3819
P2821
P1744
P6127
P4515
P7274
P2371
Model 55
P5543
GLN
P6594
P5482
P5973
P7298
P7861
P6980
P4746
P8010
P2901
SER
P8422
P5792
P4593
P3470
P3662
Atom CG of residue 37
P7308
Atom CB of residue 65
P3601
P5307
P3268
Atom HG of residue 73
P7935
P1770
P4194
Atom N of residue 33
P1829
Atom HB2 of residue 21
P1218
P3951
Atom C of residue 38
P6039
P5112
P11538
P7787
P3479
P5610
P3835
Atom H of residue 61
P5717
GLN
P2450
P2628
P5284
P7868
JeffreysRestraint_P0
P8010
P3313
P2
P3112
P6817
P3415
P1616
P6668
P2326
P3729
Atom H of residue 43
P5785
P7163
P8074
Atom CD of residue 19
P2953
P4585
P3401
P5830
P5910
Atom CG2 of residue 40
P2762
P1805
P5974
P7862
P3147
P3
P3135
P4634
P1219
P2671
P10289
P6675
P5047
P10
GLY
P2822
Atom CZ of residue 54
P6128
P4685
P4516
P8423
P12330
P5544
Atom OD2 of residue 58
P3820
P5483
Model 30
P6595
P4747
P2902
P2372
P6981
P4594
Atom HB3 of residue 21
P7275
P3471
P3663
P8011
OptimizerState 1
P3480
P5308
P3269
P6818
P7309
P7299
P2629
P4109
P6040
Atom OG of residue 65
P1750
P5113
P5793
P3113
P1619
P3602
LYS
P5611
P3836
Atom CA of residue 41
P7936
P3952
P5718
Atom CZ of residue 61
P11539
P5285
P7788
P5786
P3314
P6676
P3416
P6669
P8011
P2327
P3730
P7869
P7164
P2954
P2451
P4586
Atom CA of residue 40
Atom CD of residue 37
P3402
P5831
P8075
P2763
P1765
P3148
P3136
P4635
P1222
Atom HD22 of residue 43
P2672
P5048
P2362
P2823
P10290
Atom HD2 of residue 54
P7863
P4517
Atom HG3 of residue 2
P5911
P12331
Atom CA of residue 75
P5545
P3472
Atom HD11 of residue 73
P2630
P3953
ASN
P3821
P5484
P6129
P5794
Atom O of residue 115
Atom NH2 of residue 61
P4748
P8012
P1754
P6596
P6982
P7276
Atom HG1 of residue 12
P18
P3603
P3481
P2373
P5309
P8424
P1
P5975
P7300
P4687
Atom HA of residue 43
P4110
P7310
P2903
P5114
P7937
P3114
P3664
Atom C of residue 40
P11540
P7789
Atom HD13 of residue 30
P2451
P5612
P8216
P3837
P3270
P2106
P6819
P6041
P7165
P5286
P7870
P5787
ASP
P3315
P5719
P3417
P3731
P1719
P8012
P2955
P4587
P6670
P3403
Atom C of residue 75
P5832
P3473
P3954
P2764
P6677
ListSingletonContainer440
P3149
Atom HG22 of residue 17
P6130
P8076
P3137
P2452
P4636
P1799
P2673
Atom H of residue 65
P1701
P2363
P2648
P5049
P1766
P3822
Atom C of residue 28
P2328
P2824
P1748
P4518
P1223
P10291
Atom HG22 of residue 36
P3604
P5546
P5912
PairScore 10
P5485
P2907
P5976
P7864
P1835
Atom OG1 of residue 40
P8425
P4749
P12332
Atom HB2 of residue 43
Atom HD12 of residue 73
P6042
Atom CB of residue 115
P6597
P1721
P3482
P6983
P5310
P3271
P5795
Atom O of residue 40
P0
P7277
P4111
P8013
P5115
Model 410
P3115
P3665
Atom CB of residue 3
Atom N of residue 31
P7311
P2452
P6671
P7301
P2374
Atom O of residue 75
P5613
P7166
P4688
P5287
P5788
Model 428
P3316
P7938
P6820
P17
P8217
P3732
P5720
P11541
P7790
Atom CA of residue 32
P2956
P4588
P3404
P5833
P1830
P8013
P3838
Atom HD11 of residue 3
P1
P3955
P2765
P7871
P3150
P3138
P4637
P2
P1800
P1749
P8077
P6678
P5050
P3823
Atom HA of residue 37
P3418
Atom HG23 of residue 17
P2329
P0
P3474
P2825
Atom HG22 of residue 61
P7865
P6131
P4519
P2453
Atom N of residue 8
Atom CD of residue 24
P2364
Atom CB of residue 40
P1767
P12333
P2674
Atom O of residue 28
P3605
P5547
P10292
P8014
Atom HZ3 of residue 27
P5486
P5977
P5913
P4750
Model 131
P2909
P7278
P1722
P3483
P5311
P3272
P6598
Restraint 46
P7302
P4689
P6984
Atom HG23 of residue 36
P4112
P7791
P6043
P5116
P8426
P5796
P2367
P3116
P3666
P2387
P5614
P1831
Model 421
P2152
P6821
P7312
Atom HD13 of residue 73
P7939
P5288
P3405
P3317
Atom HA of residue 18
P6672
P3733
P7167
P2957
P4589
P5721
P11542
P5834
P3839
P3475
P3956
P2766
P6679
P5789
P3151
P2375
P8014
P1697
P3139
DihedralSingletonScore6
P4638
P7872
P5051
P3419
P1652
P8078
P2
P1220
P2826
Restraint 133
P4520
Atom HB2 of residue 37
P3606
P5548
Atom HG23 of residue 61
Atom N of residue 28
P5487
P6132
Atom OE1 of residue 24
P2365
P10293
P1768
P4751
Atom HE of residue 74
P8218
P2454
P5914
Atom HB3 of residue 11
P5978
P7866
Atom CB of residue 23
P2330
P8427
P3667
P8015
P12334
P1801
P2811
P3484
P5312
P3273
P5797
P2373
P0
Atom HD21 of residue 73
P6599
P4113
P6985
P5123
P3117
P5615
P7279
Atom HD3 of residue 6
Atom HD11 of residue 36
P1720
P6044
P4690
P5289
P3824
P7792
P7313
P2904
P7303
P3318
Atom HB2 of residue 18
P1
P3734
Atom CG of residue 40
P7168
P2958
Atom HA2 of residue 75
P4590
P7940
P6822
P1772
P2388
P6673
P3406
P5835
P3476
P5722
P2767
P11543
P183
P5790
Atom HD2 of residue 6
P5979
P3157
P4639
P7873
P8015
P5052
P7867
Atom HG12 of residue 36
P2827
P3957
P2376
P6133
P4521
P8079
P3140
P8219
P6680
P1653
P3607
P3840
P5549
Atom O of residue 10
P5117
P1606
P5488
Atom CD of residue 61
Atom N of residue 26
P4752
P2455
P1342
P10294
Atom HD11 of residue 61
P3420
P1698
P2331
P2366
P5915
P1315
P12335
P2812
P3485
P5313
P3274
Atom CG1 of residue 23
P4691
P3825
P4114
P8016
P1723
P6045
Atom N of residue 76
P3118
P3668
P6823
P6600
Atom HG21 of residue 13
P5616
P6986
P1802
P7280
P8428
P5798
P5290
Atom HD12 of residue 13
P3319
Atom HE21 of residue 2
P1777
P7314
P6674
P7304
Atom CA of residue 7
P2366
P7941
P7793
P7169
P2959
P4591
P6681
P3407
P5836
P3477
P3958
Atom HB3 of residue 57
P7874
P5980
P3243
P4640
P5723
P11544
P184
P2389
P26
P5118
P5053
P5791
P1323
P8016
Atom HG13 of residue 36
P2828
P2768
P2806
P4522
P3141
P8220
P3735
Atom C of residue 19
P2905
P3608
P1714
P8080
P3841
P5550
Atom C of residue 46
P5489
Atom HA of residue 13
P7868
Atom CD of residue 40
P4753
P3826
P2377
P1607
P6134
P5799
P10295
P0
VAL
P8017
P1648
P3486
P5314
P3275
P5916
P2456
P8429
P2367
P4115
P12336
P3119
P3669
P3421
P5617
P1699
P6601
P2
P4692
P6987
P2332
GLY
P2374
Model 268
P5291
P7794
P1724
P3320
P7281
Atom HG of residue 57
P6824
P6046
P1803
P7315
P7170
P7305
P2960
P4592
PHE
P3155
P3408
P5837
Atom HG21 of residue 36
P3478
P3959
P2769
P7875
P5792
P5981
P3142
P3736
P4641
Atom HB3 of residue 41
Atom HD23 of residue 73
P7942
P1771
P2390
P6675
Atom CG of residue 39
P5119
P5724
P6682
P11545
P5054
P3827
Atom HE2 of residue 45
P6135
P2829
Atom C of residue 26
Atom HA of residue 22
P2807
P4523
P8017
P3609
P5551
ListSingletonContainer430
P5490
P1
P8081
P0
P4
P4754
P1605
P2906
P8221
P2375
P1806
P19
P7869
P1702
P12337
P1649
P1716
P5315
P10296
P6047
P2378
P3842
P2368
P5917
Atom O of residue 13
Atom OE1 of residue 40
P4116
P5800
P3120
P3670
Atom O of residue 18
P3156
P3487
P5618
P3276
P8018
P4693
P2457
P6602
P5292
P6676
P3409
P6988
P3321
P2333
P7282
P8430
P7171
P3422
P2961
P4593
Atom N of residue 74
Atom N of residue 58
P6825
P7316
P7306
P5838
Atom CA of residue 76
P7943
P2770
P7795
P1726
P5982
Atom HD3 of residue 19
P3143
P4642
P5125
Atom CA of residue 47
P5055
Atom CA of residue 7
P7876
P3479
P2831
Atom HG2 of residue 41
P5725
P3960
P11546
P4755
P185
P4524
P3737
P6683
P5793
P2910
Atom HZ of residue 45
P3610
P8018
P5552
P5491
P7870
P6136
P2391
GeneralizedGuinierPorodFunction 18
P1703
P8082
P8222
Atom OD1 of residue 21
P8019
P0
P3671
P3828
P1709
P5855
Atom CB of residue 13
P3059
P4694
Model 364
P3843
Atom OD1 of residue 39
P2369
P10297
P4117
P1608
P2830
P5918
P3121
P1808
P3488
P0
P5619
P3277
P8431
P7796
P12338
P6048
P2379
P5293
P22
P3410
P3322
Atom C of residue 76
P5215
P6826
P6603
P7877
P6989
P2357
Atom HB3 of residue 40
P7172
P1650
P2962
P7283
P2458
Atom C of residue 47
P4594
ASP
Atom H of residue 6
P5794
P6677
P5839
P3480
Atom C of residue 14
P7317
P3423
P7307
P3144
P3738
P4643
P5801
P2368
P6684
P5056
P5983
P7944
P3961
P2771
Atom CA of residue 48
P1727
Atom H of residue 2
P2911
P5
P4525
P1704
P5726
P11547
P3611
P5553
Atom CB of residue 39
Atom HG3 of residue 41
P5492
P8019
P5857
P4756
P1812
P3072
P8223
Atom C of residue 75
P6137
P8083
P3672
P2392
P3278
Atom H of residue 7
P7871
P3829
P4118
P8020
P1609
ARG
P10298
P3122
P186
P3489
P5620
P5919
P12339
P7173
P4695
P2358
P5294
P3411
Atom HZ2 of residue 29
P1710
P3323
P5802
P6049
P2380
P3844
P6604
P7797
Atom HG of residue 20
P1654
P6990
P2963
P2370
P8359
Atom O of residue 27
P5840
P7284
P8432
P2772
Atom HG2 of residue 40
P7878
P3424
P5984
P3145
Atom CB of residue 33
P4644
Atom O of residue 47
P6827
P7318
P1
P6678
P0
P7308
P5554
P2459
P3739
P7945
P5057
P5795
P2809
P8
P3481
P3962
P2908
P4526
P1709
P5121
Atom HG1 of residue 14
P1807
P3612
P6
P11548
P5493
P6138
Atom N of residue 13
P6685
P4757
P1725
P3
P8020
P8224
Atom CA of residue 9
P3830
P2832
P8360
P2393
P8084
P3279
P2369
P4119
P7872
P5829
P5727
P3123
P3673
Atom HD3 of residue 74
Atom HG1 of residue 14
Atom C of residue 48
P5621
P10299
P8021
P6050
Atom N of residue 21
P3490
P4696
P5920
P6828
P5295
P1611
P3324
Atom O of residue 36
P8433
P12340
P1655
Atom CA of residue 74
P5803
P7174
Atom HZ3 of residue 29
P1711
P3740
P6605
P2810
P6679
P3412
P5841
P6991
P3845
P3482
SingletonScore 10
P3963
P2773
P7798
P5985
P2381
P3146
P7285
P4645
P6686
Atom HG23 of residue 14
Atom CG of residue 37
P2964
P5555
Restraint 592
P5058
P7879
P7319
P3425
P7309
Atom CG of residue 33
P4527
P5122
P2371
P1379
P5796
P1
P2460
P7946
P3831
P5494
P2335
P5728
P11549
P4758
P2912
P8225
Atom HB2 of residue 40
ListSingletonContainer431
P3613
P8021
P2833
P3674
Atom CA of residue 15
P21
P3280
Atom CB of residue 36
P2370
Atom O of residue 48
P6139
P8085
Atom HG21 of residue 66
Atom O of residue 33
P4120
P8022
P7873
P5830
P3124
Atom HG2 of residue 34
P2724
P5622
Atom HD21 of residue 43
P12341
P7175
P3491
GeneralizedGuinierPorodFunction 14
P4697
P10300
P5296
P3413
P3325
P5921
P4
P5804
P1380
P7799
P2394
P1659
P2965
P3741
P6829
P6051
P1712
P5842
Atom C of residue 74
P2774
P6606
P7880
P187
P5986
P6992
P3147
P4646
Atom CD1 of residue 61
Atom C of residue 52
P3846
P7286
Atom O of residue 29
P8434
P5059
P3832
P5797
P3483
P3964
Atom HG21 of residue 13
P7320
Atom CD of residue 37
P6680
P7310
P2382
P4528
P5216
P7947
P6687
P3426
P0
P5556
P5495
P2372
P5729
P1386
GLN
P4759
P2913
Model 328
P8226
P2461
Atom CA of residue 67
P11550
P1327
P3614
P6140
P2834
P2725
P8022
P3281
Atom HH11 of residue 74
P7874
P4698
P2336
Atom CB of residue 33
P1
P4121
Atom HG22 of residue 23
Atom HB of residue 22
P5831
Atom CG1 of residue 36
P3125
P3675
P6052
P3492
P5623
P8492
P5297
Atom HG3 of residue 34
P1323
P3326
P8216
P10301
P2371
Atom N of residue 41
P8023
P7
P5922
P1610
P7177
P1328
P6681
P8435
P12342
P3414
P1717
P5843
P8086
P5805
P2775
P3148
P4647
P5217
Atom HG23 of residue 66
P6830
P6607
P1370
P6993
P2966
Atom O of residue 74
P3833
P7800
P3484
P3965
P1344
P4
P2383
P4534
P3847
P8493
P7881
P7321
P5987
P7311
P3615
P5557
P5060
Atom CD1 of residue 67
P5496
Atom HA of residue 37
Atom HG23 of residue 23
P6688
P4760
P5798
P7176
P3427
P2395
P8227
LYS
P7948
P6141
P2373
P2835
P5730
P3493
P7287
P3282
P188
P2914
P7875
P4699
P8023
P2462
P3742
P4122
P5832
P3126
P3676
Atom NE2 of residue 40
Atom CA of residue 50
P5624
P8087
P2337
P5806
P1
P5298
P2681
P3415
P4529
P3327
Atom NH2 of residue 72
P11551
P7801
P6053
P10302
P1371
P8024
P7
P2967
P5923
P5731
P2372
P6831
P7882
P12343
P5844
P8217
P2776
Atom HD11 of residue 15
P3149
P4648
Atom HB2 of residue 33
P5799
Atom CG of residue 42
P6682
Atom HG1 of residue 66
Atom CB of residue 74
P6608
Atom C of residue 40
P3834
Atom CD2 of residue 67
P8448
P6994
Atom CB of residue 15
P3966
P7288
P3485
P8436
P6689
Atom HD22 of residue 50
P5988
Atom N of residue 44
P5558
P5061
P7322
P5497
P7312
P3848
P5126
P7949
P4761
P2384
P8228
P3743
P3616
P2374
P2836
P3428
P2396
P3494
P3283
P11552
P6142
P4700
P4123
Atom HA of residue 32
P5833
Atom CE1 of residue 45
P3127
P3677
Atom C of residue 50
P7876
P5625
P8088
Atom C of residue 91
P1372
ListSingletonContainer432
Atom CZ of residue 54
P7178
P2463
Atom HA of residue 40
P5299
Atom HA of residue 50
P2682
P3416
P4530
P2338
P3328
P8494
P5807
Atom CA of residue 40
P8025
P2968
Atom CZ of residue 72
P5732
Atom CG of residue 74
P10303
LYS
P6054
P5845
P8024
P5924
P2777
P7802
Covariance1DFunction 46
P3150
P4649
P8437
P12344
P1715
P3835
P7883
Atom HA of residue 6
DihedralSingletonScore4
P3967
P6832
P6609
P6683
P2915
P7289
Atom HB3 of residue 33
P5800
P3617
P3
P5559
P5498
Atom HB2 of residue 32
P5127
P5062
P1373
P4762
P7323
P5989
P7313
P7877
P8229
P3486
P3744
Atom H of residue 67
P6143
P8449
P2837
P2378
Atom O of residue 54
P6690
P3429
P2397
P3284
P8218
P7950
Atom C of residue 14
P11553
P16
P2385
Atom HZ3 of residue 11
P4701
P6995
P3849
Atom H of residue 40
Atom HA of residue 3
P4124
Atom HB2 of residue 50
P5834
P3128
P3678
P189
P5626
P8025
Atom HD2 of residue 54
P7179
Atom CA of residue 2
Atom HE1 of residue 45
Atom HD2 of residue 72
P5300
P2683
P3417
P4531
P8089
P2339
P3329
P13039
P1383
P8026
P6055
P3495
P2464
P2375
P6833
P2969
P5733
P12345
P5846
P5808
P10304
P3968
P2778
P3156
P5925
Atom C of residue 27
P6684
P3836
P7803
P2916
P8242
Atom H of residue 53
P6691
Atom OG1 of residue 22
P3487
P3745
P4650
Atom HG2 of residue 33
P6610
P1704
P7884
Atom HA of residue 67
P5990
P3618
P8450
P8090
P6996
P5560
Atom CE2 of residue 45
Atom NH1 of residue 72
P8497
P1384
P5499
GLU
P13040
P7290
P5128
P8438
P8219
P4763
P8230
Atom CD of residue 74
P7324
P7314
P2838
P7951
P3679
P3430
P1606
P3285
P5063
Model 187
P7878
P4702
P4125
P5835
P3129
Atom CB of residue 54
P11554
Atom CA of residue 54
P6144
P5627
P8026
P0
P3319
Atom O of residue 6
Atom HB3 of residue 50
P5801
P2398
P2386
Atom HB3 of residue 20
Atom CG2 of residue 22
P1385
P5301
P2684
P3418
P4532
P3850
P7291
P2
P8027
P5809
MD 19
P2340
P2970
P5734
P2376
P1705
Atom CD1 of residue 25
P8243
P5847
P0
P3330
P2779
P7804
P3242
P2465
P4651
P8498
P10305
Atom HA of residue 18
Atom HB2 of residue 67
P6056
P7180
P3746
Atom CZ of residue 45
P2376
P5926
P11555
P3837
P7885
P2945
P3496
P3488
P8439
P3969
P12346
P1388
P8091
P6997
P5561
P3320
P6611
ARG
P5500
P6685
Atom HA2 of residue 53
P5129
P8220
P6692
P5064
P4764
Atom CD of residue 11
P8231
Atom CG of residue 72
Atom NE of residue 74
P6834
P5802
P2839
P3680
P190
P7325
P8244
P5991
P7315
P3286
P4703
P8451
Atom CA of residue 24
P4126
Atom CB of residue 67
P3619
P5836
P2377
P7952
P3130
P7879
Atom CB of residue 63
P5628
Atom HZ3 of residue 33
P1607
P6145
Atom CG of residue 31
ILE
P5302
P6057
P3431
P2685
P3419
P8027
P3331
P3851
P7292
Atom H of residue 41
P1706
P2399
Atom CG of residue 33
P2387
P2971
P3747
P1381
P8028
P1309
P3497
P5848
P2780
P6686
P2341
P2677
P4652
P5735
Atom CH2 of residue 63
P5810
P10306
P11556
P3838
P3154
P5927
P3970
P6835
P4765
P12347
P7181
P5992
P2377
P7805
P8028
P8092
P5562
P5065
P5501
P4533
P5130
P6612
P7886
P2
P8452
P6998
P13041
P2466
P8496
P3620
Atom O of residue 7
P8440
P2840
P3681
Atom H of residue 53
Atom C of residue 31
P6693
Atom CB of residue 17
P5803
P3287
P8221
P7326
P7316
P7880
P7953
P1743
P1382
P4127
P5837
P3489
Atom HA of residue 41
P3131
P8029
ListSingletonContainer433
Atom CG of residue 63
P5629
Atom CD of residue 74
P4704
P5303
P1708
Atom N of residue 11
P3432
P2686
P5
P3420
P3498
Atom HA3 of residue 53
P6146
P3337
P7293
P5811
P2547
P1608
P6999
P2678
P13042
P3852
P2972
P3748
P8495
P5736
P7806
P6058
Atom CA of residue 34
P2400
P5849
P2781
P7182
P7887
Atom N of residue 64
P2388
P11557
P3839
P3155
P2342
P3281
Atom CZ of residue 74
P3971
P6836
P4766
P6687
P4653
Atom CD of residue 31
P2378
P5928
P191
P8029
P8093
P5563
P8441
P1704
Atom CG2 of residue 22
P12348
P5502
P4539
Atom CD of residue 33
P5131
P6694
P5993
P6613
P3490
P2841
P5
Atom HB2 of residue 41
P3682
Atom O of residue 31
P5066
P5804
P3288
P8222
P10307
P8241
P4705
P2467
P1744
P4128
P7327
P7317
P5838
P3132
P5
P3621
P3499
P5630
P8453
P7183
P13046
P7954
P5304
P1709
P2687
P7881
P3421
P3338
P7294
P8030
GLU
P3
P1609
Atom C of residue 66
P6147
P7000
P2401
P4535
P2973
P5737
Atom CB of residue 34
P5850
Atom HD2 of residue 74
Atom HD2 of residue 74
P5812
P3972
P2782
P1705
Atom C of residue 13
Atom CB of residue 3
P3853
P4654
P6059
P3749
P11558
Atom HB2 of residue 64
P3842
P7807
Atom NE2 of residue 2
Atom OG of residue 36
P9
Atom CD of residue 63
P2657
P3491
P4771
P12349
P3433
P2389
P10308
P7888
P8030
P2343
P5564
P5929
P6837
P5070
P5503
P6688
P5132
P2379
Atom N of residue 42
P8094
P13043
P3282
Atom CE of residue 33
P2842
Atom HB3 of residue 41
P6614
P5994
P7882
P3500
P8454
P3289
P8223
Atom NH1 of residue 74
P4706
P8442
P8368
P6695
P3840
P4129
P5805
P6913
P5839
Atom NZ of residue 11
P3133
P3683
P7328
P7318
P3622
P5631
Atom NH1 of residue 74
P7955
P1738
Atom HA3 of residue 76
P1611
P2468
P5067
P5305
P1707
P2688
P3422
P4536
P3
P4767
P7001
P6838
P7184
P1308
P6148
P3335
P2974
P7295
P3750
P5738
Atom HB3 of residue 64
P8031
P6060
P2
P5851
P3973
P2783
Atom O of residue 13
P2402
P3492
P4655
P6914
P8367
P5813
P3854
P2658
P6689
P0
P10309
P11559
P7808
P8031
P8095
P2344
P5565
P6696
P5806
P5504
P5133
P5930
Atom NH2 of residue 74
P7889
P8344
P5995
P2390
P8443
P12350
P3434
Atom HH11 of residue 42
P2380
P2843
Atom HB3 of residue 18
P20
P3501
P13044
P3290
P3283
Atom NH2 of residue 74
P8224
P6615
P1
P4707
P5068
P3841
P4130
P192
P5840
Atom HG2 of residue 51
P3134
P3684
P1701
P7883
P3623
ILE
P5632
P1364
P7329
P7185
P1614
P7319
P3336
Atom CE2 of residue 23
P5306
P2689
Atom OE1 of residue 31
P3425
P4537
P8455
P7296
P1711
P8032
Atom HG21 of residue 22
P7002
P7956
P6839
P2975
P2469
P3751
Atom CA of residue 34
P5852
P5814
P2784
Atom HG1 of residue 12
P4768
Atom CB of residue 99
P4656
Atom HG2 of residue 64
P11560
P7809
P2403
P3855
P2659
P5739
P3974
P6061
P8345
P7890
P3423
P8096
P2345
P5566
Atom HG2 of residue 18
P1739
P5505
P5134
P10310
P1365
P8245
P8032
P12351
P3435
P6690
P6916
P6697
ListSingletonContainer434
P5807
P3502
P3493
P3291
P3284
P8225
P2391
P4708
P2381
Restraint 86
P6616
P5069
P4131
Atom H of residue 60
P5996
P8456
P5841
Atom H of residue 74
Atom CG of residue 37
P2844
P3135
Atom HA of residue 64
Atom HB3 of residue 27
P3624
P5633
Atom CA of residue 23
P8444
P8370
P3685
Atom CA of residue 2
Atom HG3 of residue 51
P5931
P5307
P7330
P2690
P7320
P7884
P4538
P7297
Atom HB2 of residue 74
P10311
P7957
P4769
P1366
GLN
P28
Atom HG22 of residue 22
P1702
P6840
P6062
P7186
P2976
P1712
P5853
P7003
P3975
P2785
Atom CG1 of residue 99
P4657
Linear1DFunction 31
P8033
P2470
P3752
Atom HG21 of residue 12
P11561
P2404
P1610
P6691
P3856
P2660
P5740
P8369
P5815
P6917
Atom NE2 of residue 31
P8033
P8097
P5567
P1740
P3843
P5506
P5997
Model 431
P3494
P5135
P7810
P8346
P1312
P3424
Atom C of residue 30
P5932
P7891
P3503
P1852
P3292
P8445
P8226
P12352
P1362
P4709
P2346
Atom CA of residue 7
P6698
P4132
P5808
P5842
P3285
P2845
P3136
P6617
P3436
P7885
P3625
P2392
P5634
P2382
P4770
P7187
P8246
P5308
P8034
Atom HG2 of residue 27
P2691
P7298
ASN
P10312
P1703
P7331
P7321
P7004
Atom N of residue 52
Atom HB of residue 13
P3686
P6841
P8457
P2977
Atom HB3 of residue 74
P5816
Atom HA of residue 60
P5858
P13045
P7958
P2786
P4658
P7811
P3753
P11562
P3844
P2661
P3976
Atom N of residue 56
P7892
P193
P8347
P6915
P4
P4540
P3495
P2405
P8034
P5568
P2471
Atom CB of residue 37
P5741
P5071
P5507
P6692
P5136
Atom C of residue 6
P12353
P6063
P3857
P2846
P5933
P6699
P1710
P5809
P5998
P3626
P3504
P8098
P3293
P8227
P8247
P4710
P2347
Model 103
P1706
P1746
P4134
Atom CG1 of residue 17
P13062
P5843
P3137
P3437
P5635
P2383
P3687
P6618
P8458
P3286
P5309
Atom HB2 of residue 60
P2692
P3426
P5859
P8446
P8372
P10313
P2393
P7005
Atom HG21 of residue 5
LEU
P7332
P7188
P7322
P7886
P2978
P3754
Atom C of residue 25
P7959
P8035
ASP
P2787
P6842
P194
P7299
P3496
P4659
P1580
P4133
Atom CA of residue 62
Atom H of residue 44
P5817
P3845
P2406
Atom C of residue 10
Atom SD of residue 1
P2662
P5742
P3977
P6064
P1829
P4772
P7812
P8035
P5569
P5072
LYS
P5508
P5137
P8371
Atom HA of residue 74
P11563
P7893
P6918
P6693
P3858
P2472
P2847
Atom C of residue 67
P1751
P8348
P5636
Atom C of residue 36
P8099
P3294
P8228
P0
Atom N of residue 62
P3
P3627
P5934
P5999
P7887
P5844
GLN
P8447
P3138
P3688
P12354
Model 397
P3505
P2384
P1708
P6700
P5810
P4711
P6619
P5310
P3438
P2693
P1306
P10314
Atom HG2 of residue 6
P7006
P2348
P3287
P6843
P7189
Atom HB3 of residue 60
Atom HD12 of residue 44
P2979
P3755
P7333
P7323
P3427
P4541
P3978
P2788
P4101
P8459
P13047
P7300
P3497
P4660
P5935
P8036
P5856
P7960
Atom CA of residue 56
P5073
Atom CB of residue 28
P3846
P2663
P6065
P2394
P5818
P6919
AngleSingletonScore1
P5570
P1581
P5509
P6694
P8349
Atom HD13 of residue 8
P5138
P11564
P7813
P5743
Atom H of residue 74
Model 118
P6701
P4773
P5811
P2407
Atom HA of residue 44
Atom CA of residue 40
P2848
P3689
P7894
P6000
P3506
P5637
P8036
Atom H of residue 61
P3295
P8229
ILE
P3628
P4712
ListSingletonContainer435
P8100
P1830
P2473
P5845
Atom CG of residue 67
P3139
P12355
P13049
P3859
P5311
P2694
LEU
P7888
P3428
P6620
P4104
P8460
P2349
P6844
P4135
P7190
P3439
P2980
P8448
P8374
P10315
P1745
P8037
Atom HB of residue 5
Atom HB3 of residue 11
Model 84
P3288
P2385
P2789
P7334
P7324
P5337
P3498
P4661
P5936
P7961
P6920
P7007
P3756
P5819
Atom C of residue 56
P5074
P3847
P2664
P7301
Model 401
P3979
Atom H of residue 28
Atom HG3 of residue 1
P4542
P7814
P13050
P5571
LEU
P5510
P6066
Atom HD12 of residue 61
P5139
P7895
P4774
P2408
P2849
P8373
P5744
P3690
P11565
Atom CA of residue 7
P6
P5638
P8037
P8101
P3296
P8230
P1573
P6695
P3629
P4713
P3864
P1707
P6702
P5812
TRP
Atom HG2 of residue 11
P8350
P2395
Atom CD1 of residue 44
P5846
P3140
P3507
Atom H of residue 2
P195
P6001
P2474
P8449
P5312
P12356
P2695
P10316
Atom O of residue 7
Atom H of residue 2
Atom HA of residue 61
P1831
P6845
P4136
P6067
P7191
P4099
P7889
P2981
P3757
Atom CG2 of residue 61
P3429
P3289
P2386
P3980
P2790
P3440
P5340
P7302
P3499
P4662
Atom O of residue 40
P5937
P7335
P6921
P7325
P4543
P7008
Atom O of residue 56
P3848
P8461
P2665
P8038
Atom CG2 of residue 7
P7962
P6621
P4775
P6696
P2350
P5572
P5075
P5511
P1326
P3919
P5140
P5820
P11566
Atom HG3 of residue 6
Atom CA of residue 67
Atom N of residue 17
Atom CA of residue 62
P8351
P6002
P2850
P7815
P5639
P3297
Restraint 591
P8231
P2000
P5745
P3630
P4714
P7896
P8038
P5847
P3142
Atom HD13 of residue 30
P1574
P12357
P3508
Atom CA of residue 8
P6703
P5813
P7192
P2409
P2396
P4544
P8102
THR
P5313
Atom CB of residue 17
Atom HG2 of residue 1
P2696
P7890
P3430
P10317
Atom HB3 of residue 65
P4137
P8039
P6068
P2982
P2475
P6622
Atom CB of residue 56
P8462
P1832
P3290
P3981
P2791
P3441
Atom CD1 of residue 61
P1573
P3500
P4663
P8450
P8376
P5938
P5821
Atom CD1 of residue 61
Atom CA of residue 119
P4100
P13048
Atom CA of residue 6
P3758
P3141
P3691
P6846
Multivariate Normal distribution 46
P3849
P7336
P7326
P5339
P2666
P2387
P7963
P7816
P7009
P4776
P7303
P5573
P5076
P196
Atom O of residue 6
P5512
JeffreysRestraint_P1
P5141
Atom CA of residue 31
Atom HA of residue 19
P6697
Atom HD22 of residue 8
P2851
Atom CG1 of residue 17
P7897
P6922
P5640
P8039
P2351
P3631
P4715
P4545
P8375
P5746
P6704
P11567
P5814
Atom HG of residue 65
P6003
P5848
P2001
P1575
Atom HG21 of residue 30
P3509
P3298
P8352
P1574
P5314
P2698
P3431
P5333
P8103
P10318
P2410
P8451
Atom N of residue 31
P4138
P12358
P6069
P7193
P2983
P3759
P6623
Restraint 47
P2792
P3442
P7891
P3501
P4664
P7964
P8040
GaussianProcessInterpolation30
P7010
P1833
P2476
P6847
P5077
P3854
P5513
P2397
VAL
P2667
P5939
P3982
P7337
P6923
P7327
P3863
P5822
Atom HB2 of residue 19
P2697
P8463
P5574
P3291
P1549
Atom N of residue 66
P7304
P5142
P7817
Atom HG22 of residue 7
P3692
P4777
P2388
P2852
Atom CG of residue 56
P1469
P7898
ListSingletonContainer436
Atom O of residue 24
Atom HG22 of residue 26
P4546
P5641
P2352
Atom HA of residue 24
P6698
P8353
P3632
P3
P1545
Atom OD1 of residue 25
P5334
P5849
P5747
P3143
P11568
P1576
P3510
P3299
P7194
P6004
P7892
P4716
P8040
P5315
P3850
P3432
P13177
P6705
P5815
P8104
P1572
P1967
P4139
P12359
P6070
P2984
P1550
P1470
P2411
P23
P3983
P2793
P3502
P4665
P5940
P10319
P6624
Atom C of residue 32
P2398
P8464
P2477
P3760
P5514
P0
P2668
P8452
P8378
P8041
P3443
P6925
P1834
P3693
P6848
P4778
P7338
P7328
P5575
P3292
P7965
P5078
Atom CA of residue 27
P4547
P7011
P5143
P5823
P7305
P197
P6699
P2853
P7818
Atom CB of residue 24
P5642
Atom HA of residue 57
P3300
Model 269
P6625
P6706
Atom HB2 of residue 24
P5816
P3633
P2389
P1471
P7899
Atom CA of residue 66
P6005
P5335
P2353
P5850
P3511
P8377
P5748
Atom CA of residue 106
P11569
P4717
P1546
Atom CG of residue 64
P5855
P1592
P8041
P8354
Atom CA of residue 3
P4140
P7195
Model 146
P7893
P8105
P2985
P3761
P3144
P3694
P1577
P3851
P24
Atom HG23 of residue 26
P1575
P13178
P8453
P3984
P2794
P12360
P6071
Atom O of residue 95
P3503
P4666
P5941
P10320
Atom CD1 of residue 56
P8042
P2699
P6849
P5079
Model 396
P2399
Atom HD22 of residue 50
P2669
P2412
P6926
P1835
Atom CG of residue 33
P5824
P4779
P5576
P2478
P1968
P7966
Atom H of residue 24
P7339
P5515
P7329
P4552
Atom HB3 of residue 57
P5144
Atom N of residue 106
P7819
Model 42
JeffreysRestraint_P0
P8465
P7012
Atom C of residue 1
P3433
P7306
P2854
P7900
P3444
P5643
P3301
P1542
Atom CB of residue 1
P6626
P3634
P4718
Atom CD2 of residue 111
P3293
P2390
P2052
P5857
P5341
P5851
P6700
P8355
P3512
Atom HA of residue 50
P1576
P6707
P5817
P7196
P2354
P5749
P1547
P11570
P3852
P13179
P0
P6006
P8042
Atom CD2 of residue 56
P1463
P4141
P12361
P6072
P2986
P3145
P1578
P1593
P4548
P8106
P3985
P2795
Atom CD of residue 64
Atom CA of residue 4
P27
P7894
Atom CB of residue 95
P4667
P5942
P3695
P2700
P3762
P5080
Atom HA of residue 24
Atom HG of residue 57
P2670
P10321
Atom CD1 of residue 8
P8466
P3504
P4780
P198
P3434
P5577
P8454
P8380
P8043
P5516
P6924
P2400
Atom CA of residue 112
P1836
P5145
P6850
P2042
P6701
P7330
Atom HB2 of residue 50
P7967
P2413
P6
P5342
P7013
P2479
P2855
P5825
P3445
P7307
P3302
P1969
P6627
P1464
P6007
P3635
Atom H of residue 56
P7820
Atom C of residue 22
P5852
PairScore 9
P3853
P3513
P5644
P3294
P7901
P7340
P7197
P4719
P2082
P1543
P8379
P5750
P6708
P11571
P5818
P2355
P2391
P3696
P5829
P4142
P6073
P7895
P8043
P2987
Atom HA of residue 1
P3146
Atom O of residue 14
P8356
Atom O of residue 40
P2796
P1548
P1589
P3435
P8107
P4668
P10322
P6851
P2701
P1577
P13180
P3763
P8455
Atom OE1 of residue 64
P1583
P12362
Atom HB3 of residue 20
P4549
P5826
P2401
P3505
Atom HB of residue 23
P4781
P5578
P5943
P7968
P5081
P7821
P5517
P2671
P5146
P3986
P1465
P8044
Atom HD22 of residue 56
ListSingletonContainer437
P7341
P7331
P1837
Atom HB2 of residue 57
P2856
Atom CA of residue 38
P2043
P6927
P3514
P5645
P8467
Atom HB3 of residue 50
P7014
P3303
P6628
P2414
P6702
P3636
P4720
P7308
Atom HG1 of residue 22
P2
P2480
P5853
P2048
Atom OE2 of residue 34
P3697
P6709
P5819
P3
P6008
P5338
P1970
P7902
P3446
P8357
P3436
Model 365
Atom HG of residue 20
P5751
P11572
P5830
P4143
P6074
P7198
P13181
P2988
P3764
P3295
P3147
Atom HA of residue 56
P4550
P8044
P2392
Atom CA of residue 2
P2797
P199
P4669
Atom CG of residue 24
P2702
P1
P8108
P2362
P1553
P5082
P1584
P12363
P7896
P2673
P3987
P3855
Atom HB of residue 13
P1590
P3506
P6852
P5579
P5944
P10323
P5518
P8468
P5147
P8197
P5827
Atom CG of residue 38
P1466
Atom CD of residue 49
P6928
P2402
P8456
P8382
Atom CD1 of residue 15
P4782
P8045
P7342
P2040
P4
P2857
P3698
P7822
P7332
P3515
P5646
P3304
P7969
Atom O of residue 42
Model 306
P2415
P3637
P7015
P1838
P1549
P2672
P7309
P5858
P6629
P6703
Atom HG23 of residue 7
P5373
P4721
P2481
P1475
P7903
P6009
Atom N of residue 28
P1971
Atom O of residue 61
P5831
P4144
P7199
P3447
P3
P2989
Atom CG of residue 4
P8381
P5752
P3148
P6710
P11573
P5820
P1438
P2393
Atom O of residue 38
P2798
P4551
P8045
P4670
Atom HG3 of residue 42
P8198
P8216
P2703
P8358
Atom N of residue 5
P3765
P5083
P6075
P3437
P8109
P3296
P4987
Atom OE1 of residue 49
P7897
P13182
P3507
P8457
Atom CD2 of residue 15
P1582
P4783
P12364
P5580
P1480
P5519
P10324
P3988
P3856
P5945
Atom HB2 of residue 56
P5859
P2858
P5828
P3699
P8046
P1591
P3516
P5647
P3305
P7970
P6630
Atom CD of residue 24
P7343
P6704
P7333
P2403
P5374
P2359
P1839
P7823
P6929
P8469
P7016
P4
P6711
P5821
P2045
P2416
P7310
P5148
P1551
Atom HZ2 of residue 11
P6010
P3638
P4722
Restraint 134
Atom HG22 of residue 30
P5832
P4145
P7904
P7200
P3448
P8359
P7
P2990
P3149
Atom HZ3 of residue 63
P1481
ALA
P2482
P1972
P5753
P2799
P11574
P7344
Atom O of residue 67
P13183
P4671
P4988
P2704
P8046
Atom N of residue 39
P3766
P3
P5084
P12365
P6076
P3297
Atom HD3 of residue 42
P3989
P3857
P1595
P8110
P3508
P1570
P4784
P8217
P7898
P3438
Atom N of residue 34
P5581
P5946
P5520
Atom NE2 of residue 49
P6930
P200
P2394
P10325
Atom HD3 of residue 6
P8470
P2674
P2859
P8194
P3700
P5648
P3306
Covariance1DFunction 67
P5149
P8458
P8384
P6631
Atom HB3 of residue 56
Atom OG1 of residue 22
P8047
P2047
P3639
P2404
P4723
P4553
P1840
P1547
P4
P7334
P7971
P1552
Atom OE1 of residue 24
P7017
P5854
P7201
P2360
P7311
P5856
Atom N of residue 64
Atom CD1 of residue 69
P2417
P6705
P2805
P6712
P7824
P5822
P5343
P5833
P4146
P2991
P3150
P1472
P7905
P6011
Atom CB of residue 61
P3990
P4989
P7345
Covariance1DFunction 36
P4672
P8383
P5754
P11575
P2705
P3439
P3767
P1973
P5085
Atom O of residue 1
P3517
P8047
P2483
Atom CD2 of residue 4
P3858
P3449
P8360
Atom C of residue 7
P3509
Atom CB of residue 13
ListSingletonContainer438
P1596
P6077
P8111
P5582
P5521
P7899
Atom C of residue 33
P13184
P8459
P7972
P12366
P2044
Atom CD1 of residue 67
P4554
GLU
P3298
P1473
DihedralSingletonScore1
Atom H of residue 49
Atom CA of residue 86
P2809
P1571
P2860
P8195
P10326
P3701
P6706
P6931
P5649
P3307
P5150
P5947
P6632
P3640
P1587
ASP
P6908
P4785
P8048
Atom OE2 of residue 18
Atom CB of residue 3
Atom HD11 of residue 56
Atom HB2 of residue 24
P6012
P7335
P5337
P7825
SingletonScore 12
P8471
P7018
GLU
Atom H of residue 69
P8218
P3440
P7312
P5344
Atom N of residue 4
P1841
P2395
P5834
P4147
P7202
P2418
P4724
P2992
P3151
P6713
P5823
P3518
Atom HD13 of residue 30
P2808
P7906
P7346
P4673
P1474
P4990
P2706
SER
P3768
Atom OE1 of residue 2
P5755
P11576
P6078
P13185
Atom O of residue 129
P3991
P3859
P2405
P1344
P8048
Atom O of residue 33
Atom CA of residue 34
P3510
P1974
P8494
P5583
P5086
P5522
P3450
P8112
P2484
P1
Atom HD13 of residue 69
P12367
P7900
P3641
P4555
P3299
P6909
P2810
P2861
P5650
P3308
P10327
P8472
P5948
Atom CD2 of residue 69
P4786
P8219
P6932
P8460
P8386
P3702
Atom HD12 of residue 56
Atom HA of residue 57
P8049
P2048
P6707
P3519
P1345
P1588
P1
P5340
P5151
P1572
P8210
P7826
P7336
ILE
P7973
P6633
Atom OE2 of residue 64
Atom HB3 of residue 24
P3441
P2406
P7019
Atom CA of residue 39
P6714
P1594
P5824
P6013
P5345
P1842
P7313
Atom CB of residue 129
P3242
P5835
P4148
P7203
P2782
P2993
P201
P2396
P7347
P2419
P4674
P7907
P2707
GLY
P3769
P5087
P4991
Atom N of residue 16
GaussianProcessInterpolation51
P8385
P5756
P11577
P3860
Model 43
P4725
P3511
P1975
P0
Model 188
P8049
P5584
P5523
P3451
Atom CG2 of residue 30
Atom CZ of residue 20
Atom N of residue 31
P6079
P3642
P4556
P8113
Atom HZ2 of residue 6
P4787
P7901
P13186
P8461
P2862
P1335
P3703
P12368
Atom CB of residue 67
Atom HD3 of residue 42
P5651
P2485
P3309
P3300
P1573
P2806
P10328
P3243
P8220
P1585
P5949
P3992
Atom HB2 of residue 57
P5152
P8211
P6853
GeneralizedGuinierPorodFunction 30
P8050
P7204
P8495
Atom HB2 of residue 63
P2
P6634
P202
P6708
P7337
P3442
P2783
P5339
P7827
P6933
P2407
P5346
Model 60
P8473
P7020
P5836
P1318
P4149
P2994
P7314
P7974
P1336
P2804
P6014
P2397
Atom C of residue 129
P2420
P3520
P4726
P4675
P6715
P5825
P6080
P2708
P3770
P7908
P7348
P1843
Linear1DFunction 12
Atom HG21 of residue 3
P3861
P4992
P3512
P5757
P11578
P4788
P0
Atom HG22 of residue 66
P13187
P5585
Atom CB of residue 15
P5088
Atom H of residue 51
P5524
P8050
P1976
P12369
Atom HG22 of residue 14
P3643
P4557
Atom H of residue 64
P7828
Atom CD1 of residue 69
P8114
P5333
P2863
P3993
Atom CB of residue 19
P2046
P7902
P5652
P3310
Atom HG23 of residue 30
P1328
P8496
P2807
P8199
P6854
Atom CD of residue 31
P1589
P3301
P10329
P3704
P6709
P8474
P2486
Atom C of residue 46
P5153
P5950
P6934
GaussianProcessInterpolation20
Atom HG3 of residue 63
P8462
P8388
Atom N of residue 70
P6716
P1315
P8051
Atom HA of residue 51
P8221
P5826
P3443
Atom HA of residue 37
Atom C of residue 47
P6015
P7338
P3521
P5347
P7975
P3154
P6635
P5837
P4150
P7205
P1
P7021
P2995
P1575
P2751
P7315
Atom O of residue 69
P7349
P3457
P2421
P2408
P4676
P2709
P3771
P1844
P3862
P7909
Atom HG23 of residue 14
P4727
P3513
P2398
Atom HA of residue 64
P4993
P6081
Atom CD2 of residue 69
P5586
P5334
P8387
P5758
P11579
P5089
Atom HB3 of residue 57
P5525
ListSingletonContainer439
P8197
P3644
P4558
P8051
P8200
P4789
P7829
P2864
P1977
P3705
P5653
P8115
Atom HZ1 of residue 27
P3311
Atom O of residue 46
P7903
P3522
P13188
P2
P8463
P6855
VAL
P3994
Atom CG of residue 19
P12370
P1590
P5154
P1331
P7206
P6935
Atom HD21 of residue 25
Atom OE1 of residue 31
Atom N of residue 19
P3302
P5951
P6636
P8222
P3444
P3059
P2487
P8052
Atom HB2 of residue 37
P8497
P5348
Atom HD2 of residue 63
P5838
P4151
Atom HB2 of residue 51
P6710
P7339
P2996
P6717
P5827
Atom O of residue 47
P8475
P7022
P7350
P4728
P7316
P4677
P10333
P7976
P8198
P2710
Atom H of residue 69
P6016
P3772
P3863
Atom C of residue 52
P2409
P3514
P4101
P4790
P7910
P5587
P5335
P6
P5090
P0
P4994
P5526
P2422
P2399
P11580
Atom HD1 of residue 4
Atom HB2 of residue 64
P6082
P4559
P2752
P13189
P7830
P8052
P1845
P2865
P3454
P5654
P3312
Atom CB of residue 46
P1574
P0
P3645
Atom HB3 of residue 63
P8116
P1978
P6856
Atom CD2 of residue 69
P12371
P1363
P6711
P7904
Atom HZ2 of residue 27
P3072
P3706
P8498
P5155
P5759
P10330
P3995
P7207
P3523
P3303
Atom HD21 of residue 56
P8223
P6017
P3445
P4729
P8476
P5952
P6936
Atom HB2 of residue 11
Atom HD22 of residue 25
P5349
PRO
P8464
P8390
P5839
P4152
P8053
P1592
P2997
P2488
Atom HE1 of residue 59
P7977
P6637
Atom C of residue 14
Atom HB3 of residue 51
P7023
P4678
P4102
P6718
P5828
P2711
P7317
P3773
P5091
P7
P3864
Atom HD22 of residue 69
Atom O of residue 52
P3515
Atom CA of residue 46
P4791
P6083
P1365
P5588
P5341
P3996
P1749
P7911
P5527
P2423
P7340
GaussianProcessInterpolationRestraint 19
P2400
P4995
P7354
P3646
P2753
Atom HG2 of residue 63
P8389
P5760
P10331
P11581
P7831
P6937
Atom HA of residue 73
P1846
P2866
P8194
Atom N of residue 66
P1
P8053
Atom HA of residue 16
P2811
P3313
P1714
ASN
P3524
P4560
P6857
P2410
P4730
P8117
GLN
P7905
P5655
P13190
P5156
P8465
P1979
Atom CG of residue 2
Atom HD13 of residue 56
P12372
P7208
P3455
Atom HA of residue 69
P3304
P8224
P6712
P3446
P7978
P3707
P5350
P5953
P5840
P4153
P1366
P1596
P2998
P6719
P8054
P8499
P6018
Model 329
P3997
P2053
P7341
P4679
P6638
Model 287
P2712
P8477
P7024
P2489
P5342
P3774
Atom HE2 of residue 59
P10332
P7318
P1754
P3865
P5432
P3516
P1718
P4792
P7351
Atom HB2 of residue 73
P5589
P4099
P5854
P5528
Atom CG2 of residue 5
Atom N of residue 12
P7912
Atom HD11 of residue 3
P3647
P2754
P2812
P5761
Atom HG of residue 56
P4996
MD 10
P6938
P2401
P2867
P11582
P6084
P8195
P2424
LYS
P13191
P3314
P7832
P3335
Atom CB of residue 52
P3525
P4561
P8054
P6858
P12373
Atom HA of residue 46
P4731
Atom HB2 of residue 16
P3708
P1472
Atom O of residue 69
P5656
P8118
P5157
P1980
P2054
P1361
GaussianProcessInterpolation8
P7906
P2411
P1847
Atom CA of residue 103
P5092
P8225
P8500
P5351
Atom CA of residue 31
P5841
P4154
P7209
P6713
P8478
P2999
P3775
P3305
P1720
P5954
P7352
P3447
Atom CD of residue 64
P8466
P8392
P3998
P8055
P7342
P1591
P4680
P5435
P2713
P6019
Atom NZ of residue 11
P7979
Covariance1DFunction 82
P6639
P1473
P7025
P4100
THR
P6720
P3866
P6908
P6085
P2724
P7319
P3517
Atom HB3 of residue 73
P5590
P5529
THR
P3336
Atom H of residue 5
P5338
P4793
P7833
P7913
P2055
P6939
P2490
P4997
Atom HA of residue 13
P3315
P8391
P5762
P11583
P3648
P4562
P2402
P6859
P1433
P5093
P1474
Atom HB1 of residue 46
P4732
P8055
P2868
P3709
P7353
P5657
P5158
P1981
P8210
P3526
P8119
Atom H of residue 73
P1848
P8226
P2425
P6714
P7907
P3448
P2755
P13192
Atom OE1 of residue 64
P8467
P6640
P12374
Atom CG2 of residue 66
P8365
P5352
P6721
P5842
P4155
P7210
P2412
P3000
ScoreState 19
P6020
P5955
P5763
Atom C of residue 31
P3999
Atom HD11 of residue 30
P6909
Atom SG of residue 64
P2725
P4681
P1476
P8056
P2714
P1358
P3776
P7980
P3
P7343
P1755
P3867
P8479
P7026
P3518
P3306
P10334
P7320
P5591
P5530
P5378
Atom C of residue 7
Atom HB of residue 13
P6086
P5373
P4794
P7834
Atom C of residue 66
P6940
P2869
P7914
P3248
P5658
P3316
P2083
P4998
Model 315
P3649
P4563
Atom HD22 of residue 73
P2407
P1715
P6860
P11584
P7344
P4733
P13193
Atom HG11 of residue 5
P2491
P3710
P8056
P5159
P5094
P7211
P8211
P3527
Atom HB2 of residue 46
P2756
Atom HG23 of residue 9
P8227
Atom O of residue 19
P8120
Atom OE2 of residue 64
Atom H of residue 39
P12375
Atom H of residue 66
P7908
P5353
P5843
P4156
P2426
P3001
P3449
P2413
P1982
P5764
P10335
P6641
P6715
P1361
P8480
P1849
P4682
P5956
P6722
P1467
P2715
P3777
P8468
P8394
Atom O of residue 31
P8057
Atom CB of residue 66
P8366
Atom N of residue 65
P2682
P4000
Atom HB3 of residue 15
P6021
P5374
P3519
P3307
P7981
P7355
Atom CE of residue 1
P7027
P5592
P6853
P5531
P5379
P7321
P1757
P3868
P3650
Atom HG22 of residue 7
P4795
P7835
P2870
P6087
P3249
P5659
P3317
P7915
P6941
P4564
P6861
Atom CG1 of residue 78
P4999
P8199
P7345
P4734
P8393
P11585
P8367
P1362
P5160
P6716
P3528
P2757
ALA
P8057
P2408
P8228
Atom O of residue 66
P3450
P2492
Atom HE1 of residue 4
P3711
P5095
P5354
P8121
Atom HD11 of residue 30
Atom N of residue 10
P5844
P4157
P7212
P2427
Atom H of residue 1
P6022
P7909
P13194
P3002
P8469
Atom O of residue 111
P12376
Atom HA of residue 66
P1850
P1716
P1983
P5765
P4001
P1468
P3520
P4683
P10336
P7356
P2716
P3778
P5957
P7982
P6642
P2414
P2683
P2053
P6723
P8058
P6854
Atom HA of residue 39
P5593
P5532
P5380
P8481
P7028
P3869
P6088
P4565
Atom CG1 of residue 58
P7322
P1313
P2406
Atom O of residue 63
P5096
P8200
P6942
P4
P2871
P4796
P3250
P5343
P3318
P3308
P1322
P2
P6862
P7916
P8368
P7346
P4735
P0
P3712
P1750
P7836
Atom CA of residue 23
P5660
P1853
P5161
P11586
P7213
P2
P3651
P3529
P13195
P8229
P3451
P8058
P1469
P12377
Atom H of residue 50
P5355
P2405
P5845
P4158
P6717
P8122
Atom CB of residue 111
P7910
P2493
P5766
Atom HB3 of residue 42
Atom OD2 of residue 39
P4002
P6643
GLY
P5000
P4684
P6724
P1365
P2717
P6023
P3003
P3779
P1717
P10337
P5097
P2758
P8482
P2684
P5958
P3870
Atom HB3 of residue 19
P6855
P2428
Atom O of residue 59
P3521
Multivariate Normal distribution 19
Atom N of residue 35
P8470
P8396
P8059
P4105
Atom CG of residue 52
P1854
P5594
P2054
P1984
P5533
P5381
P2415
P7983
Restraint 87
P7029
Atom CB of residue 63
P6943
P7323
P4797
P3251
P5344
P3319
P3652
P3530
P4566
P6863
P1478
P6089
P7347
P4736
Covariance1DFunction 48
P3309
P2872
P3713
P7837
P7917
P5661
P5162
P1366
P5001
P7214
P8369
P1769
P8395
P11587
P1751
P8230
P7357
P3452
Atom O of residue 42
Atom CG1 of residue 30
Atom CA of residue 10
P5356
P8059
Atom N of residue 4
P5846
Atom HD22 of residue 50
Atom HG3 of residue 6
P8123
P6718
P7911
P13196
P3522
P4685
Atom CA of residue 35
P1482
Atom HA of residue 16
P4159
P12378
P4106
P2718
Atom N of residue 64
P3004
P3780
P1721
P5767
P5098
P1855
P2685
P2494
P10338
P4003
P1367
P6856
P6024
P5959
P1735
P6644
P4798
Atom HE1 of residue 1
P5595
P1985
P6725
P8060
P5534
P5382
P6090
P2429
Atom HB of residue 22
P7984
P3871
P4567
P2759
P2055
P6944
P8483
P7030
P2873
P3714
Atom HA of residue 50
P7358
P3252
P2416
P7324
P5345
P3320
P1483
P3
P6864
Chain A
Atom HD21 of residue 56
P4737
P3310
P1771
Atom CG of residue 63
Atom C of residue 10
P5662
Atom HB2 of residue 34
P5163
Atom CE2 of residue 4
P7918
P5002
P8371
Atom OD1 of residue 52
P7348
P3531
P1567
P8231
P3653
P3453
P11588
P5357
P1324
P13197
P5847
P4160
P1360
P6719
P8060
P3005
P1736
P6645
P1725
P5768
P6726
P8124
P4686
P12379
P2719
P6025
P7912
Model 411
P3781
P5099
P4102
P2686
P4004
P1752
P3872
P6857
Atom O of residue 64
Atom CE1 of residue 59
P1856
P3523
P10339
P4799
Atom HG22 of residue 13
Atom CA of residue 30
P8484
P5596
P2495
P5960
Atom HB2 of residue 50
P5535
P5383
P2430
P8398
P8061
P1361
P7215
P2760
Atom CA of residue 22
P1475
P1345
P2874
P7985
P3715
P7359
P6091
P3253
P7031
P5346
P3321
Atom C of residue 28
P2056
P1569
PairScore 12
P7325
Atom CG2 of residue 30
P1986
P6865
P7349
P3654
P2417
P4738
P0
P6945
Atom CB of residue 52
P5663
P5164
P3532
P7838
P7919
Atom CG of residue 25
P3454
Atom HD2 of residue 6
P5003
Atom CD1 of residue 59
P5358
Atom HZ1 of residue 48
P8397
P11589
P5848
P1347
P3006
P3782
P3311
P1719
P8061
P5769
P4005
Atom CD of residue 63
P4568
P2801
P3524
P4687
P1737
P4161
P2720
P8125
GaussianProcessInterpolation32
P6646
P5100
P4103
P6720
P7913
P13198
P2687
P6727
P1477
P3873
P12380
P6858
P7216
P8370
P1767
P4800
Atom C of residue 30
P5597
Atom HB of residue 5
P10340
P1753
P5004
P5536
P5384
P6026
Atom O of residue 28
P5961
P7986
Atom CB of residue 64
Atom HB2 of residue 52
Atom H of residue 4
P8062
Atom CG of residue 4
SER
P2496
P2875
P3716
P3254
P2761
P5347
P3322
P2057
P2
P8485
P7032
P1987
P6866
P7360
P6092
P7350
P3655
P4739
P7326
ASP
P6946
P5664
P5165
P2431
P3533
Atom HZ3 of residue 6
P2418
P5432
P7920
P6721
P5359
P4569
P5849
P4162
P7839
Atom OD1 of residue 25
P3007
P1772
P11590
P3455
Atom HZ2 of residue 48
P13199
P4006
P7217
Atom C of residue 64
P6027
P8062
P2802
P3312
P12381
ModelScoringFunction16
P2721
Atom O of residue 25
P5598
P3783
P1563
P5101
P1
P8126
P2688
Atom HB2 of residue 72
Atom HA of residue 9
P3874
P2050
P6859
P7914
P4688
PHE
P6647
Atom N of residue 16
P4801
ILE
P5005
P5537
P5385
P10341
P7840
P4191
P8486
P3525
P5962
P1764
Restraint 48
P2876
P8400
P1739
P8063
P7361
P6093
P3255
P5348
P3323
P2058
P5774
P3534
P6867
P7987
P8373
P3656
P4740
P2762
P7033
P2497
P6728
P5435
P5665
Atom O of residue 31
P7327
P5166
Atom CB of residue 59
P6947
Atom HG1 of residue 9
P7841
Atom HB2 of residue 32
P5360
Atom HB3 of residue 72
P1988
Atom CA of residue 32
P5850
P4163
P7921
P3008
P3784
P1774
P2432
P7354
P3456
P2419
P4570
Atom HE3 of residue 48
P2729
P8399
Atom HD1 of residue 59
P11591
Atom HZ2 of residue 27
P6722
Atom HD11 of residue 43
P3313
AngleSingletonScore7
P7218
P1540
Atom CB of residue 25
P8063
P5599
P3717
P6648
P5102
P2689
P4007
P3875
P2051
P6860
P6028
Atom C of residue 31
P8127
P4689
P5770
P4802
P4192
P2728
P7915
P13200
P12382
P5006
P5538
P5386
P8372
P0
P6729
GLU
P1564
P10342
P1765
Atom CG of residue 72
P0
P3657
P2728
Atom CG of residue 62
P2877
P5963
P3256
P5349
P3324
P8064
P1541
P6868
P7988
Atom C of residue 32
P7842
P4741
P2498
Atom C of residue 1
P6948
Atom HB3 of residue 32
P5666
P8487
P7034
P3526
P5167
P7362
P6094
P3535
P2763
P7328
Atom CG of residue 59
P7351
P5361
Atom HG2 of residue 72
P5851
P4164
P7219
P5378
P3009
P2059
P5771
P7922
P2433
P2420
P1989
P4008
Atom HZ3 of residue 27
P4690
P11592
P2
P1353
P4107
P2803
Atom HB of residue 3
P4571
P13201
P3786
bonded
P5103
P1756
P6723
P3457
P8064
Atom HD12 of residue 43
P2690
P1770
P1738
P3876
P6861
P8128
P5600
P1450
P3718
Atom O of residue 32
P12383
P5007
P5539
P5387
P6029
P7916
Atom O of residue 31
Atom CA of residue 51
Atom HD11 of residue 8
P6649
P1565
P6730
P6095
P1543
P3314
P2878
P1329
P10343
P3257
P8488
P5350
P3527
P3325
P5964
P2800
P7352
P3536
P3785
P8402
P6869
P8065
P3658
P5772
P4803
P4572
P5667
P5168
P7989
P7220
P7035
P7843
P7363
Atom N of residue 33
P4742
P7329
P2499
Atom OE1 of residue 62
P5362
P2764
THR
P2060
P5852
Atom O of residue 72
P4165
Restraint 101
P6949
P5379
P3010
P1333
P3458
Atom HG3 of residue 72
P7923
P6724
SingletonScore 0
P4691
P1741
P6650
P4108
P2434
Atom CG of residue 6
P8401
P1990
P1451
P3719
P11593
P2421
P2691
P4009
P6862
P2726
Atom HG23 of residue 44
P6030
P8065
Atom CE of residue 29
P7353
P2730
Atom HD13 of residue 43
P5601
P1775
P1570
Atom CA of residue 5
P5540
P5388
P1545
Atom N of residue 31
P8129
P3528
P3877
P7917
P4573
P13202
P6731
P12384
P5008
ASP
P3659
Atom H of residue 15
Model 366
P2879
P5104
ScoreState 47
Atom HH11 of residue 74
P4804
P3258
P5351
P3326
P10344
P3537
P3315
P5965
P6870
P7990
P6096
Atom C of residue 53
P5776
P1742
P8066
P2075
P5668
P5169
Atom HA of residue 9
P7221
Atom HE1 of residue 59
P3459
P4743
P7036
P7364
P5363
P2765
P7330
P2061
P5853
P4166
P7844
P5380
P3011
P3787
Atom NE2 of residue 62
P6950
Atom C of residue 37
P2500
P4010
P3720
Atom HZ3 of residue 63
P4692
Atom NZ of residue 6
P7924
Atom O of residue 61
Atom CB of residue 32
Atom CB of residue 72
P2692
P11594
P3878
P6863
P2435
P2727
P13203
P3529
P1779
P1991
P6651
P6725
P8066
P2731
P5602
P5773
P5105
P5009
P5541
P5389
P4805
Atom HD11 of residue 44
P2422
Atom O of residue 53
Atom NZ of residue 29
P4574
P8130
P1447
P12385
P6031
P7918
Atom O of residue 14
P2880
Atom HE2 of residue 59
P3259
P5352
P3327
Atom CE1 of residue 23
P6732
Atom O of residue 37
P3538
P6871
P10345
P1342
P3660
P5966
P5669
P3316
P5170
P8404
P1571
P2548
P8067
P6097
P7222
P7845
P4744
P7991
P7355
P2766
P7037
Atom O of residue 22
P5858
P4167
P7365
P2076
P5381
P3012
P7331
P3788
P1542
P6726
P3721
P6951
P4693
Atom CG of residue 32
Atom CA of residue 64
P7925
P6032
P3460
P2693
P2501
P2062
P4011
Atom C of residue 39
P6864
Atom HE1 of residue 1
P5364
P3530
Atom C of residue 16
P8403
P1453
Atom H of residue 29
P6733
P11595
Atom H of residue 22
P2732
P5603
P1740
P5010
P5542
P5390
P2436
P8067
P1992
P6652
P3879
P4575
Atom HA of residue 21
P1773
P8131
P2881
P5106
P4821
P3260
P7919
P2423
P13204
P5353
P3328
Atom CA of residue 12
Atom CG of residue 74
P12386
P2
P6872
P3722
P1685
P6098
P2548
P3661
P4745
P10346
P7356
P5670
P5171
P1568
P5967
P5775
P5859
P7223
P3539
GLU
P8068
P3317
P7992
P4168
Atom HD3 of residue 74
P1322
P5382
P7038
P3013
Atom HH of residue 59
Atom OD1 of residue 32
P7366
P3461
GaussianProcessInterpolationRestraint 0
P7332
P1551
P7846
P5365
P2767
P3531
P4694
P6952
PRO
P1546
P6727
P2694
P1743
P4012
P3880
P7926
P6865
Atom CA of residue 8
P1455
P6653
Atom CD of residue 74
P1
P2733
P5604
P3789
P2063
P11596
P5107
Atom H of residue 12
P5011
P5543
P5391
P6033
Atom CG of residue 15
P13205
P2502
Model 270
P4576
P8068
P6734
P12387
P2437
P4869
Atom HD12 of residue 44
Atom O of residue 14
P2882
P3261
P8132
P5354
P3329
P7920
P1993
P6873
P2549
Atom OD1 of residue 58
P3662
Atom HG3 of residue 6
Atom CE1 of residue 45
P2424
P5671
Atom N of residue 53
P5172
P10347
P1552
P7847
P3540
Atom O of residue 93
P5968
P3723
P1334
P3462
P4746
P3318
P8406
P8069
P6099
Atom HG13 of residue 36
P4169
P1686
P5383
P3014
P7993
P1744
P2054
P7039
P4013
P5856
P7367
P8299
P5366
P7333
P3532
P4695
Atom N of residue 60
P7224
P2695
P3881
P6866
P0
Atom HE1 of residue 45
P1336
P2734
Atom O of residue 119
P5605
P5108
P5544
P5392
P4870
P2768
P8405
P5777
P2118
GaussianProcessInterpolation66
P11597
Atom NE of residue 74
Atom HH11 of residue 54
P7357
P4577
P3790
P2553
P2438
P6034
P8069
Atom N of residue 45
P2883
P6654
P3262
P5677
P2503
P5355
P3330
P2064
P6735
P5012
P6100
P3541
P8300
P8133
Atom HA of residue 13
Atom CA of residue 63
P6874
P3724
P7927
P1839
P6728
P7921
P3663
P13206
P12388
Model 147
Atom HG21 of residue 36
P5173
Atom OD2 of residue 32
Atom OD2 of residue 58
P10348
Atom CE2 of residue 45
P4747
P3323
P5969
P1994
P7994
P2425
P2049
ASN
P1452
P2550
P4170
P8070
P7848
P7225
JeffreysRestraint_P1
P5384
P3015
P5337
P1680
P3463
P4014
P3533
P4696
P7368
P2055
P7358
P7334
P5109
P2696
P6655
P3882
P6867
P1544
Atom HH12 of residue 54
P5367
P3791
LYS
P2735
P5606
PHE
P7928
P5545
P5393
P6729
P6035
P8266
P5778
P4578
P5678
P7040
Atom HB of residue 13
P6736
P11598
P2439
P3664
P2769
P13207
P2884
P1548
Atom CZ of residue 74
Atom CA of residue 37
P8070
P5356
P3331
Atom HB3 of residue 32
P5013
P4806
P6875
Atom HG13 of residue 3
P8134
P2504
P2065
Atom HG12 of residue 5
P12389
P1371
P3263
P7922
P5174
P6101
P3542
P2050
P3725
P3464
P4748
P10349
P1
SER
Atom H of residue 58
P1841
P5970
P4171
P5385
P3016
P3792
P1325
P8408
P1995
P1747
P5340
P8071
P7226
Atom O of residue 68
P2426
P3368
P7849
P4697
P7995
P1681
P7359
P8270
P7041
Atom HB2 of residue 40
Atom CA of residue 60
Atom CZ of residue 45
P7369
P3
P2697
P7335
P4015
P3883
P6868
P2056
P5368
P3534
P2736
P5607
P5110
P7929
P5546
P5394
P1372
P5779
P6656
P6730
P4579
P1326
P3665
P2885
P8407
P11599
P5357
P3332
P2551
P4807
P6036
P3543
P2770
P8071
P6876
P3726
Atom CB of residue 65
P2440
P5675
P3321
P2066
P6737
P5014
P3264
Atom HH21 of residue 54
P8135
P5175
P7923
P13208
Atom O of residue 74
P12390
P1373
P3465
P4749
P2505
Atom C of residue 60
Atom C of residue 20
P6102
Atom N of residue 33
P4172
P7850
Atom C of residue 74
P5386
P3017
P3793
P5971
P1996
P1316
P7227
Atom CG of residue 68
Atom N of residue 18
P8072
Atom HD12 of residue 3
P3535
P4698
P7996
P1549
P5339
P1682
P7042
P8410
P2552
P5111
P2427
P2699
Atom C of residue 63
P1375
P4016
P3884
P6869
P7370
P2057
P7360
P8271
Atom HG12 of residue 26
P5369
P7336
Atom HB3 of residue 40
P10350
P2737
Atom C of residue 10
P5608
P5547
P5395
P1336
P6738
P6731
P4580
P1745
Atom H of residue 65
P1905
P7930
P5676
P2886
P6657
P1368
P3265
P5358
P3338
P3322
P11600
P5015
P1840
P3544
P2771
P13209
P6877
P3727
P6037
P3666
P8072
P2698
P12391
Atom CD of residue 72
P5176
P5333
P6103
P8136
P2067
Atom HH22 of residue 54
P7924
P4750
P4808
P5780
Atom O of residue 60
P4173
P7931
P2441
P5387
P3018
P1377
P10351
P7228
P1376
JeffreysRestraint_P0
P8267
P2506
P5972
LYS
Atom HG of residue 67
P3536
P4699
P1997
P2577
P8073
P0
P7361
GLU
P3794
P1553
P6136
P7851
Atom O of residue 74
P7997
P4017
P3885
P1906
P6870
P2058
P5370
P3073
P7043
Atom HG2 of residue 40
Atom HA of residue 65
Atom HD2 of residue 19
P2738
P7337
P5609
Atom O of residue 63
Atom N of residue 26
P1683
P5548
P5396
P2428
Atom O of residue 39
P3339
Atom HD23 of residue 67
P6658
P4581
P1746
P1843
P3466
P2887
P5781
P6732
P3266
P8268
P5359
P6739
P5334
P8409
Atom CB of residue 60
P6878
P11601
P7371
P1377
Atom HA of residue 19
P6038
P3667
P4809
P8073
P7044
P5177
Atom C of residue 112
P3545
P2068
P3728
P5016
Atom CZ of residue 72
P4751
P8137
P1554
P7852
P7925
P13210
Multivariate Normal distribution 0
P4174
P7932
P12392
P5388
P0
P3019
P3795
P10352
Atom O of residue 69
P6104
P7229
P2772
P2442
P1845
P4700
P5973
P7998
P2578
ListSingletonContainer441
P2507
P6190
P8074
P1687
P1998
P4018
P3886
P6871
P6733
P8269
GLU
P5371
P3074
P3537
P8411
P2739
P5610
P1555
P7372
P5549
P5397
Atom CB of residue 74
P7362
P7338
Atom HB2 of residue 65
P4582
Atom CA of residue 52
VAL
P1381
P2429
P2700
P2888
P5782
P2059
P3267
P5360
P5335
Atom O of residue 112
P6039
P3546
P3337
Atom HD21 of residue 67
P6879
P3729
P6659
P3668
Atom O of residue 41
P6740
P11602
P6105
P4810
P7045
P13211
P5178
Atom HB2 of residue 19
P3467
P8074
P2003
Atom H of residue 32
P7230
P4752
P5017
P8138
Atom CG of residue 39
P1359
P8412
P4175
P7933
P12393
Atom HH11 of residue 72
P1848
P7926
P5389
P3020
P3796
Atom CG of residue 69
P6191
P4019
P7853
ListSingletonContainer442
P2443
P3538
P4701
ASP
P10353
P1374
P5974
P1874
Model 316
P2069
P3887
P8075
P6872
P5372
P2773
Atom CG of residue 60
Atom NE of residue 72
ListSingletonContainer5
P2740
P5611
P2508
P7999
P1556
P6660
P7373
P5550
P5398
P3060
P1692
P6734
P7363
P0
P4583
P7339
Atom HE1 of residue 4
Atom CA of residue 68
Atom NH1 of residue 72
P3669
Atom C of residue 39
P2701
P2889
P5783
Atom CG of residue 2
P1318
P3268
P5361
P10354
P6741
P5341
P6040
P3468
P6880
P3730
Atom HB2 of residue 32
GaussianProcessInterpolationRestraint 47
Model 307
P2060
P2430
P1842
P4811
P1
P7046
P5179
P11603
P3547
P2140
P2005
Atom C of residue 64
P4753
P8075
Atom HG3 of residue 27
P2554
P6106
P4176
P7934
P5018
P1375
P5390
P3021
P3797
ScoreState 34
Atom CD1 of residue 69
Atom C of residue 38
P7231
P8272
GLN
P13212
P12397
P3539
P4702
P1688
P7854
P4020
P3888
P6873
P5377
P6137
P8076
P8139
P2741
P5612
P8000
Atom HG3 of residue 63
P5551
P5399
P2444
P7927
P3061
P2774
P2142
P5342
P4
Atom HG3 of residue 6
P4584
P2070
P7374
P7364
P2890
P5784
P6661
P6735
P3269
P5362
Atom CD1 of residue 15
P5975
P10355
Atom H of residue 22
P1875
P1846
P6881
P3731
P2061
P3670
P3469
P2702
P2509
Atom C of residue 3
P12394
P4820
P6041
P7047
Atom HG12 of residue 36
P1
P5180
Atom OD1 of residue 60
Atom CA of residue 27
P3548
Atom HA of residue 32
P6742
P11604
Atom CA of residue 41
P4754
P13213
P7340
P2563
Model 189
P8076
P2002
P4177
P7375
P5391
P3022
Atom HD2 of residue 27
P5019
P6107
P7232
P2431
P8140
P7855
P7935
Atom N of residue 58
P7928
GLN
P3540
P2145
P4703
P1
P1408
P3798
Atom HD2 of residue 63
Atom H of residue 35
Atom O of residue 64
Atom CB of residue 69
P3889
P6874
P4812
P8273
P5431
Atom N of residue 52
P5976
P6138
P2742
P5613
P8077
Atom O of residue 38
P5552
P5400
P3062
P2775
Atom N of residue 6
Atom HG23 of residue 9
P2555
Atom CB of residue 72
P12395
P6736
Atom O of residue 47
P6042
Restraint 135
P4585
P8001
P2445
P3470
P2703
P2891
P6743
P3270
P7365
P7341
P5363
P8470
P2071
P10356
P1876
P1411
P3549
P5785
P6882
P3732
P6662
P3671
P4755
P4021
P5338
Atom HG13 of residue 36
P5181
Atom HD2 of residue 37
P1847
P7048
P2510
P11605
P6108
Atom C of residue 35
P4178
P7936
P1562
P7376
P2062
P5392
P8077
LYS
P3023
P3799
Atom C of residue 76
P5
P8141
P5020
P7929
P8274
P3541
P4704
P8471
P3471
P13214
P12396
Atom HA2 of residue 35
ASP
P2432
P3890
P6875
P1412
P4813
P5977
P6139
Atom HD3 of residue 63
P7856
Atom CB of residue 64
P2743
P5614
P2
Atom H of residue 72
P8002
P2
P5553
P5401
P5375
P3063
P2556
P8078
P4586
P1788
P7233
P2446
P2776
P2704
P2892
P5786
P4022
P6663
Atom CG of residue 72
P7342
Atom HB2 of residue 68
P10357
P6043
P7366
P3
Atom ND2 of residue 60
P6883
Atom O of residue 35
Atom H of residue 24
P6737
P3672
P4756
P2072
P6744
P5373
P3271
P7049
P5182
Atom CD1 of residue 3
P3550
Atom N of residue 39
P1877
P1844
P3472
Atom HG21 of residue 36
Atom O of residue 16
P5364
P2141
P11606
P4179
P7937
P7377
P5393
P13215
P3733
P7857
Atom C of residue 1
P8078
P2511
Atom HA of residue 72
P1563
P2063
P5376
Atom CA of residue 29
P3542
P4705
P1789
Atom H of residue 60
P1337
P5021
P6109
Atom HZ1 of residue 33
P8142
P3800
P12398
P5554
P7930
P3024
P3891
P6876
P1402
P4814
P6140
P7234
P2744
P5615
Atom O of residue 46
Atom H of residue 76
P5402
P6738
P2433
P3064
Atom CA of residue 39
P5978
P2557
Atom CA of residue 58
P4587
Atom HA of residue 24
P8079
P0
P2705
P2893
P5787
ARG
P5374
P3273
Atom CD of residue 6
Atom HG12 of residue 23
P8003
P1338
P8275
Atom CG2 of residue 55
P2777
P8143
P6884
P4023
P7367
P7931
P3673
P7343
P8472
Atom HB3 of residue 68
P10358
P6044
P7050
P5365
P5183
P6664
Atom HB3 of residue 1
P3551
P2146
P2073
P3734
P6745
P1878
P6110
P3473
P4757
P5979
P1559
P2447
P1403
P1310
Atom HD21 of residue 60
P4180
P7938
P7378
P1416
P3
P5394
P3801
P11607
P3272
P6149
P8079
Atom N of residue 2
P3543
P4706
P7344
P7858
P5022
P5555
P3025
P2512
P8473
P3892
P6877
P1849
P4815
Atom C of residue 58
P13216
P1593
Atom HB2 of residue 24
P6141
P12399
P7235
P2064
P2745
P5616
Atom HG3 of residue 34
P5403
P3065
Atom CE1 of residue 68
P2558
Atom OE1 of residue 2
P8276
P4588
P6665
P3674
P2706
Atom HG2 of residue 72
P2894
P5788
P8080
Atom CA of residue 76
P6739
P2434
Atom HE3 of residue 11
P10359
P8004
P6045
Atom H of residue 55
P8144
P6885
P7932
Atom OE2 of residue 16
P1781
Atom HG13 of residue 23
P6746
P1404
P7368
P2778
P7051
P5366
Model 420
P5184
P4024
Atom C of residue 6
P2074
P3735
P5343
P3552
P4758
P5980
Atom HG23 of residue 12
P1879
P4181
Atom HG11 of residue 17
P5395
P6111
P3474
P2148
Atom HD22 of residue 60
P11608
P7379
P1850
P13217
P3544
P4707
Atom N of residue 25
P7236
P2448
P8080
P7345
P3802
P7939
P3026
Atom N of residue 69
P1594
P3893
P5023
P6878
P1
P4816
P6505
P6142
P7859
P12400
P1560
P2746
P5617
P4025
P5556
P5404
P1405
Atom C of residue 4
P3066
P2513
Atom HG of residue 73
Atom CB of residue 42
P2559
P2065
P4589
Model 288
P3675
P8489
P2707
Atom HG3 of residue 72
P2895
P10360
P8081
P8145
P6886
P6740
P7933
P2435
P2812
P1644
P8005
Atom O of residue 71
Atom CA of residue 78
P8277
Atom HA of residue 55
P5185
Atom NE2 of residue 68
P5789
Atom HA of residue 1
P7369
P8474
P5344
P7237
P1413
P3274
P6046
P3475
P4759
P5981
Atom HB3 of residue 2
P5367
P2075
Atom HB of residue 26
P6747
P4182
P7380
Atom HG12 of residue 17
P5396
P8490
P7052
P3736
P6666
P3553
P4026
P1880
P6506
P3545
P4708
P11609
P6112
P0
P2817
P7346
P3803
Atom N of residue 61
P7860
P7940
P8081
ASN
P1561
P6879
P2449
P4817
Atom HB2 of residue 38
P2143
P6143
P5024
P1417
P2747
P5618
P8475
P5557
P5405
ILE
P3067
P13218
P3027
P1782
Atom N of residue 74
P3894
P12401
P2066
P4590
P2708
Atom HD12 of residue 73
P2896
P1590
P6741
P6047
P8278
P2514
Atom HB3 of residue 72
P10361
P8006
P2560
P2813
P8146
P6887
P6748
P8082
Atom CA of residue 16
P7934
P3676
Atom CG of residue 71
Atom C of residue 68
P5186
P5790
Atom HG11 of residue 26
P6667
P8491
P3737
P5345
P7238
P2454
P3275
P7370
P3554
P2436
P1313
P4760
Atom N of residue 57
P1650
P5982
P5368
P4183
Model 384
P2050
P7381
Atom HD23 of residue 50
P5397
P7053
P3804
P6113
P3476
P6150
P2076
Atom N of residue 3
P4027
P3546
P4709
P7347
P11610
P1881
P13219
P3028
ARG
P1565
P6880
P1852
P1418
P4818
P8082
ILE
P6144
P7941
P12402
GLU
P8492
P2748
P5619
P2144
P5025
P5558
P5406
Atom HE21 of residue 2
P3068
P3895
P7861
Atom O of residue 68
P4591
P2709
P2897
P2067
Atom CA of residue 12
P2561
Atom HG22 of residue 70
P1783
P6888
P3738
P3677
Atom CA of residue 57
P8083
P6048
P8147
Atom CD of residue 38
P2515
P5187
P6668
P2455
P6742
P7935
P1636
P10362
P8007
P1591
P6749
P5346
P3276
P3477
P8279
P4761
P5791
P1
P65
P5369
P8476
P4184
P7382
P1409
P5398
P3805
P5983
Atom C of residue 25
P1566
P7239
P1855
P2437
P4028
Atom C of residue 51
P7054
P3547
P4710
P7862
P2051
Atom CZ of residue 4
P2781
Atom CD1 of residue 73
P2077
Atom HB2 of residue 60
P1882
P7942
P2149
Atom C of residue 12
P11611
P3896
P6881
P6114
P4819
P7371
P3555
P7348
P6145
P6151
P8083
P2749
P5620
P5559
P5407
P3069
P3029
P2562
Atom HG23 of residue 70
P5026
P1410
P4592
P8477
Atom CA of residue 74
P6743
P3678
P13220
P2710
P2898
P12403
P2068
P8148
P1784
P2051
P6889
P7936
P8280
Atom O of residue 8
P5188
P5792
P8084
P1329
ScoreState 0
P1637
P10363
P8008
P3739
P5347
P3277
P6049
P3478
P4762
P5984
P6669
Atom CD1 of residue 61
P1343
Atom CA of residue 4
P2516
P5370
P6750
Atom HD23 of residue 73
P6115
P7372
P5399
P7055
P7240
P2438
P8493
P4029
MD 11
P3556
P3548
P1599
P4185
P7349
P3806
P2078
P1883
P7383
Atom O of residue 51
P6152
P3030
P3897
P6882
P2453
P1851
P4836
Atom CA of residue 68
P4711
P11612
P6147
P7863
P2750
P13221
P5621
P5560
P5408
P1345
P3070
P8084
Atom NZ of residue 6
Atom HB3 of residue 60
P2579
P7943
P4593
P6670
P2
P5027
P2711
P2899
P12404
P69
ASN
P1564
P8149
P3740
Atom C of residue 10
P6744
P7937
P3679
P6050
P3202
P5189
P1353
P6146
P1638
P2052
P6751
P5348
P8085
P7241
P3278
P4763
P8494
P1785
P5985
Atom CA of residue 51
Atom HD23 of residue 56
P5371
P10364
P8009
P2069
P7373
P8281
P5400
P3807
P5793
P6890
Atom HB3 of residue 24
Atom H of residue 61
P3479
P2517
P8478
P4030
P3557
Model 330
P3549
P4186
P6116
P7350
P2079
P7384
ARG
P2439
P6153
P3071
P7056
P3031
P3898
P6883
P2147
P4712
P3236
P2751
P5622
P1884
P5561
P5409
P1354
P7864
P4822
P4594
P8085
Atom CA of residue 68
P6671
P7944
P2712
P2900
P5028
Atom HD1 of residue 4
P8479
P2801
P8150
P13222
P3741
P2611
Atom HD12 of residue 73
P12405
P7938
P3680
P11613
P1819
P5190
P6745
P8282
P1639
P6891
P10365
P8010
P1595
P5349
P7242
P3279
Atom C of residue 21
P3480
P4764
P2150
P1786
P5986
P3558
P5372
P4187
P6051
P5401
Atom NE2 of residue 49
Atom CA of residue 74
P3076
P5794
P4031
P6752
P0
P7374
P3550
P4713
Atom HG2 of residue 24
GaussianProcessInterpolation79
P8495
P3808
P2070
P66
P6154
P3032
P2518
Atom HE22 of residue 49
P8086
P6884
P6117
Atom HG12 of residue 44
Atom HG3 of residue 1
P7057
P7865
P7385
Atom HD23 of residue 67
P2752
P5623
P1316
Atom C of residue 113
P5562
P5410
P2440
P11614
P4823
P13223
P2152
P2080
P2612
P6672
P2802
P3681
P2713
P7354
P2901
P7945
P12406
P7375
P6148
P3899
P5029
Atom HG23 of residue 5
P3559
P1885
P6746
Atom HB2 of residue 1
P6052
P5191
P1596
P6753
Atom HD13 of residue 73
P34
P3152
P3200
P1640
P6892
P5350
P1820
P3280
P4765
GeneralizedGuinierPorodFunction 19
P8086
Atom HB of residue 44
P8151
Atom HA of residue 60
P7939
P5377
P4188
P8087
P5402
Atom C of residue 68
Atom HA of residue 49
P7243
Atom HD23 of residue 73
P3481
P1798
P10366
P8011
P4032
P8283
P4714
P5987
P5795
P6118
Model 29
P3809
P8480
P7386
P6155
P3033
Atom HG3 of residue 24
P6885
P3551
P3742
P2071
P7058
P2753
P5624
P174
P1325
P5563
P5411
Atom HG13 of residue 44
P7351
P2519
Atom HG2 of residue 29
P11615
Atom HD3 of residue 11
P2081
P2006
P6673
P6149
P3682
Atom CD1 of residue 4
P2714
P2902
P2564
P7866
P7376
P2441
P8087
Atom N of residue 68
P7946
P4824
SER
Atom CB of residue 25
Atom O of residue 3
Atom HA of residue 9
P1886
P5030
P4766
Atom HG12 of residue 44
P2154
Linear1DFunction 32
P8481
P2728
P3237
P13224
P5192
P12407
P3560
P1641
P5351
P7244
P1821
P3281
P6053
P3482
P8152
P3900
P6747
Atom CB of residue 28
P7940
P8284
P5431
P6754
P4189
P8088
P47
P5403
P6893
P1799
P8012
Atom CA of residue 25
P7352
P4715
P5988
P10367
P3743
Atom HB2 of residue 49
Atom HG13 of residue 13
P3075
P3810
P5796
Restraint 88
P6156
P3034
P4033
P7867
P6886
P3552
Atom HG3 of residue 29
P2754
P5625
P2008
P5564
P5412
P6119
P7059
P2520
P7387
P2072
Atom C of residue 2
Atom HG21 of residue 44
P2715
P2903
P2565
P11616
P2
P7377
P8088
P13225
P6674
P6748
P4825
Atom CG2 of residue 61
P6150
ListSingletonContainer220
P1570
LEU
P7947
P1793
P3683
P2442
P2151
Atom N of residue 104
P1790
P3901
P5031
P1
P5193
Atom CG of residue 25
Atom CA of residue 16
P12408
Atom CD of residue 49
P3561
P3238
Atom HG13 of residue 44
P7353
P5352
P1
P7245
P3282
Atom CA of residue 65
P4767
P2136
P2729
P1887
P4190
P1638
P6054
Atom O of residue 7
P5404
P8153
P3811
P6894
P11617
P7941
P3483
P5375
P4034
P6755
P8089
P6120
Atom NE2 of residue 2
P4716
P1831
P3
P2004
P10368
Atom CG of residue 27
P8013
P8285
P6157
P3035
P2151
P5989
P5797
P3744
P6887
Atom HG1 of residue 7
P8482
ListSingletonContainer443
P2755
P5626
P3553
P5565
P5413
Atom H of residue 28
P7868
P7060
P6675
ListSingletonContainer219
P7388
Atom CD of residue 51
P3684
P2813
P2716
P2904
P2566
P8090
P2073
P1795
P7378
P2521
P1791
P4826
P4768
P8089
GLY
Atom HD21 of residue 67
P3902
P7948
Atom HE21 of residue 40
P5376
P5194
Atom C of residue 16
P5032
P6749
P3562
P1655
P8483
P6151
P5353
P1639
P3283
P6055
P2443
P8154
P13226
P2155
P0
P12409
P2730
P35
P7942
Atom HG21 of residue 44
P6756
P5405
P3203
P6895
P11618
Atom H of residue 45
P7246
P3
P3484
P8286
P8014
P4035
P173
P1888
Atom CB of residue 65
P8295
P4717
P5990
P1571
P2078
P2283
P8360
P6158
Model 367
P3036
Model 104
P10369
P0
P6888
P6121
P1832
P8090
P5798
Atom OE1 of residue 51
P2756
P5627
Atom OE1 of residue 16
P3745
Atom CD1 of residue 13
P4197
P2
P5566
P5414
P7355
Model 409
Atom HD3 of residue 38
Atom HG22 of residue 3
P2084
P6676
P2814
P7061
P2717
P3554
Atom HD21 of residue 67
P2905
P2567
P8091
P7869
P7389
Atom HE22 of residue 40
P4827
P3563
Atom HB2 of residue 20
P3812
P6152
P25
P7379
P3685
P4769
P13227
P6149
P3903
P2080
P2522
P5195
P7949
P12410
P1651
P5354
P5033
P3284
P2284
P2732
P1791
P6750
Atom HB2 of residue 1
P8296
Atom N of residue 35
P3746
Atom HG23 of residue 26
P5406
P6
P2039
P6896
P11619
P7247
P2444
P3204
P4036
P1889
P1829
P6056
P3485
P8155
P4718
P36
P7943
Atom HG2 of residue 16
Atom HA of residue 13
P6757
P4198
P6159
Atom HG2 of residue 11
P3037
P7356
P6889
P10370
P8015
P1633
P8287
P2757
P5628
P3555
P1334
P5991
P5799
P5567
P5415
P6122
P2731
P8484
P7870
P8091
P3813
P6677
P3904
Atom HA of residue 45
P2815
P2718
P2906
Atom N of residue 39
P2568
P8092
P7380
P7062
P7390
P2083
Atom CG of residue 51
P4828
Atom H of residue 65
P3564
P2085
P3747
P6153
P7652
P3686
P4772
P1569
P5196
P2217
P1796
P6751
P4101
P6057
P8489
P2153
P1335
P5355
P7950
P3285
P6505
P6758
P5034
P2523
P8485
P5407
P3205
P13228
Atom HG2 of residue 42
P6897
Atom HB of residue 13
P11620
P4195
P12411
P7248
GLY
P4037
Atom N of residue 27
P4719
Atom HB3 of residue 19
P2445
P8288
P8156
P3814
P7944
P6160
P3038
P6123
P2077
P3486
P8490
P3556
P8016
P3905
P1634
P4770
P2758
P5629
P10371
P1890
P5568
P5416
Atom C of residue 75
P5992
P2007
P5800
P7
P1645
Atom HB2 of residue 45
P2816
P2719
P2907
Atom N of residue 17
P2569
P8093
P7381
P8092
P179
P6890
ModelScoringFunction17
P1834
P4829
P3565
P7063
P3748
ASP
P6154
P7871
P7391
P7667
P3687
P6506
P2156
P6678
P5197
Atom HG2 of residue 34
P1797
P5356
ListSingletonContainer444
P3286
Atom CA of residue 27
P7951
P2733
P51
P7357
Atom HG2 of residue 19
P1572
P5035
P6058
P5408
P8367
GLN
P6898
P4196
P12412
P7249
P6752
GeneralizedGuinierPorodFunction 7
P4038
P6759
P3487
P8491
P4087
P2524
P3557
P4720
Atom HD13 of residue 67
P2040
Atom HG12 of residue 13
P11621
P4104
Atom CB of residue 6
P2218
P6161
P8157
P3039
Atom O of residue 75
P7945
P3906
Atom CB of residue 43
P2446
P3206
P2759
P5630
P5569
P5417
P2158
P10372
P8017
P6891
P8289
P8093
P1646
P5993
Atom N of residue 10
P1891
P6124
P3688
P2
P4771
P2817
P8368
P2720
P3815
P8486
P2570
P1573
P7382
Covariance1DFunction 47
Atom HG12 of residue 61
P8401
P1635
P4830
P7649
Atom HB3 of residue 2
P7358
P6150
P6155
P8094
P7064
P2908
VAL
P6679
P7872
P1642
P7392
P6753
P5198
P3566
P5801
P3749
P5357
Atom CB of residue 29
P3287
Atom OD1 of residue 32
ListSingletonContainer222
P2734
P4155
Atom HG22 of residue 13
P7952
Restraint 102
P8290
P5409
P6899
P11622
P5036
P7250
P1794
P3488
P1582
P8487
P4039
P4099
P6059
P1
P4721
P12413
Atom CB of residue 50
P6760
P5418
Atom OE1 of residue 49
P6162
P3040
P2041
ListSingletonContainer0
P52
P8158
P2525
P8018
P1
P3907
P1644
Atom CG of residue 43
P7946
P8363
P2760
P5631
P3816
P5570
P8492
Atom HG13 of residue 61
P2160
P2219
P8402
P6892
P3558
P1647
Atom HB of residue 23
P10373
P1892
Atom H of residue 75
P3689
P2818
P2721
P5994
P5802
P2571
P1574
P8095
P6125
P1833
Atom HB2 of residue 67
P1636
P4831
P7650
P3567
P3207
P7359
P6151
P3750
P6156
P1960
P2447
P8094
Atom O of residue 54
P2909
Atom HG3 of residue 16
P7873
P4773
P7065
P5199
P7393
P4100
P7383
P6680
P5358
P7251
Atom CG of residue 29
P3288
P3489
P8364
Atom CG of residue 50
P2735
P6754
P2
Atom OD2 of residue 32
P4216
Restraint 49
P6060
P6913
P5410
P6900
P11623
P180
P7953
P12414
P1645
Atom NE2 of residue 49
P3817
P4040
Atom HD11 of residue 13
P6761
P5037
P1799
P4722
P1583
Atom HG23 of residue 61
P5419
P8493
P6163
P3041
P1997
Atom HG12 of residue 23
P3908
P8159
P2761
P5632
P5571
P7947
P8095
CYS
P2220
Atom C of residue 43
P1837
P8291
P6914
P2526
P1648
P2009
GaussianProcessInterpolationRestraint 35
P29
P3690
P1
P2819
Atom HG21 of residue 61
P2722
P2910
P5803
P10374
P8019
P2572
P8096
P6126
P5995
Atom CD2 of residue 50
P6893
P4832
Atom HA2 of residue 75
P3568
P3208
P6152
P8488
P3751
P6157
Atom HD12 of residue 3
P7874
Atom CB of residue 54
Atom HB2 of residue 16
P6681
P7360
P3559
P2157
P5200
P1640
P7668
P1968
P7384
P7066
ListSingletonContainer236
P5359
P7394
P3289
P2448
P1893
P8405
P1800
P5411
P1580
Atom HD11 of residue 61
P6901
P11624
P7252
P6755
P8299
P4135
P3818
P4041
P7954
P4723
P5038
P8489
Atom CA of residue 14
P1639
P2736
Atom HG3 of residue 2
P6061
P6164
P4774
P3042
Atom CD1 of residue 50
P1442
P12415
P8292
Atom N of residue 56
P6762
P3909
P1838
P2762
P5633
Atom CD of residue 11
P5572
P5420
P8160
P5
P7948
P2799
P1649
P6127
P3490
P8494
P2820
P2911
P8020
P2221
P2573
P8097
P30
P8096
P3560
P2010
P10375
P6894
Atom CD of residue 49
P4833
P7701
P3209
Atom HG22 of residue 61
P7361
P2527
P6153
P5996
P5804
P6158
P7875
Atom N of residue 13
P1443
P3691
P5201
Atom HG21 of residue 13
P8406
Atom HZ2 of residue 33
P3569
P6916
P3752
P5360
P3290
P8300
P7067
P2161
P6
P1641
P7395
P6756
P6062
P7385
Atom CA of residue 54
Atom N of residue 73
P6682
P1972
P5412
P6902
P6763
P1894
P7253
P2449
P4136
P3819
P4042
P12416
P4724
P1329
P5805
P7955
P6
P2800
Atom HB3 of residue 16
P1445
P5039
P2737
Atom N of residue 12
P6165
P3043
P1584
P11625
P1835
P3910
P1640
P3491
P2763
P5634
P7
P5573
P5421
P4775
P8301
P3561
P1
P8161
P1658
P6128
P1798
Atom CA of residue 45
P7949
P2821
P2912
Atom CB of residue 6
P2574
P8293
P5202
P2011
P6895
P4834
P1996
P7763
P3570
P6917
P6154
P2165
P10376
P8021
P2222
P6683
P6159
P8097
P5997
P3692
P8496
P8490
P8098
P7876
P7386
ASP
P2528
P3753
Restraint 98
P5361
P7362
P2116
P31
P3210
P7068
P7396
P1836
P5413
P6903
P7254
P3291
P4137
P3820
P4043
Atom HE of residue 42
P8407
Atom C of residue 54
P4725
Atom CG of residue 35
Atom HD13 of residue 61
P5806
Atom HD13 of residue 8
P1895
P6757
P1585
Atom HG13 of residue 13
P6764
P7956
P2738
Atom C of residue 45
P2450
P6166
P4776
P3044
P11626
P5040
Atom HZ3 of residue 33
Atom HD11 of residue 73
P3562
P1664
P8491
P3911
P1641
P2031
P2764
P5635
P12417
P5574
P5422
P8495
Atom CD of residue 35
Atom CG of residue 73
Atom HB3 of residue 28
P1961
P6063
P3492
P7
P7877
P3693
P2822
Atom NE of residue 42
P8162
P2913
P8022
Atom HA of residue 26
P2575
P7950
P6915
P8098
P5203
Atom O of residue 2
P6896
P6129
P4835
P4595
Atom CA of residue 39
P2726
P6155
P3754
P6160
Atom N of residue 68
P2159
P10377
P7653
P5998
P2223
P8099
P4777
P6684
P5362
ListSingletonContainer445
P6758
P3292
P8365
P0
P8408
P3211
P7363
P5414
P7069
Atom CB of residue 59
P2529
P2012
P6904
Atom CB of residue 55
P7397
P7255
Atom HB2 of residue 21
P7387
P4138
P3821
P4044
Atom HH11 of residue 42
P2032
P32
P4726
P1587
P5807
Model 271
P5636
P1
Atom HD21 of residue 73
P2739
Atom HE of residue 42
P6064
P6167
P3045
Atom N of residue 29
P1896
P7957
P12418
P3563
Atom CG2 of residue 5
P6765
P3912
P5041
P6130
P2727
P11627
P5575
P5423
P2451
P1962
P8302
HIS
P3696
P2823
P2765
P2914
THR
P2576
P1646
Atom HA of residue 48
P3493
Covariance1DFunction 35
P8163
P2126
P6897
P4837
P7951
P4649
P6156
P3755
P6161
P7878
P8366
P7654
Atom HD3 of residue 38
P6918
P5204
P10378
P8023
P2224
P4778
P8099
Atom CG of residue 59
P5999
P5363
P7256
Atom C of residue 41
LEU
P8100
Atom HB3 of residue 21
PHE
P2166
P6685
P5415
P8303
P7364
P1588
P6905
P6759
P3293
P7070
P4139
P3822
MovedSingletonContainer2
P4045
P7398
P7388
P2530
P3564
P4727
P1653
P5808
Atom CG1 of residue 61
Atom OG1 of residue 55
P3694
P3494
P5637
Atom HB of residue 26
P6766
P8409
P2740
P6065
P8367
P6168
P3212
P3046
P2013
P11628
Atom HB of residue 3
P1897
P33
P1330
P3913
P7958
Atom CB of residue 43
P2617
P5042
P5576
P5424
Atom CB of residue 68
Atom H of residue 42
P4849
P1963
P4650
P12419
P6131
P2452
P2824
P8100
P2766
P2915
Atom CA of residue 68
P6898
P6919
Atom HE21 of residue 40
P8164
P6157
P6162
Atom HB2 of residue 48
P1339
P1998
P7952
Atom CA of residue 17
P7655
P8304
P1
P2548
P5205
P8024
P2225
P1331
P8101
P7879
P4779
P10379
P3756
P6686
P3294
P3495
P6000
P4
P5416
P6906
P8410
P7257
Atom O of residue 5
P0
P4140
P7365
P3823
P4046
P1743
P7071
Atom C of residue 59
P3565
P4728
P1654
Atom N of residue 3
P1643
P7399
P6760
P7389
P5638
Atom HH22 of residue 72
P2650
P5364
P2741
Atom CG of residue 68
P6169
P3047
P2014
P5809
Atom CG2 of residue 55
P4850
P2531
Atom CD2 of residue 15
Atom HD3 of residue 54
P3914
P6066
P3695
P2767
Atom CD1 of residue 43
ASN
P1898
P7959
P5577
P5425
P1637
P6767
P5043
Atom C of residue 68
P1964
P6920
P3213
P11629
P12420
Atom HB3 of residue 48
P130
P2825
P2916
Atom O of residue 34
P6899
P6132
P6158
Atom CG2 of residue 5
P3757
P6163
P7880
P2453
P8101
P8165
Covariance1DFunction 68
P7656
P7953
P4596
P5206
P1586
P4780
P6907
P7258
P3295
P3496
JeffreysRestraint_P1
P8305
P2162
P10380
P8025
P6067
Atom CA of residue 37
Atom O of residue 59
P6001
P1999
P5417
Atom CA of residue 73
P5365
P8102
P6761
P4141
P4047
P2226
P6687
Model 148
P7366
P4729
P1656
P5810
P6768
Atom HG12 of residue 5
P7072
P5639
P184
P7400
P2742
P7390
P6170
P3048
P3824
Atom CG2 of residue 7
P1744
P8368
P3566
P3915
P8411
P2768
Atom H of residue 55
P5578
P5426
P2532
P7960
P1965
Model 31
P6921
P2015
P2613
P1899
P6133
P2
P132
P1638
P2826
PairsRestraint 4
P2917
P11630
P4838
P3697
PRO
P12421
P6900
P6159
P6911
P6164
Atom ND1 of residue 68
P3214
Atom HD2 of residue 27
Atom HG2 of residue 54
P7657
Atom C of residue 19
P4597
Atom H of residue 53
P8166
P5207
P6688
P7954
P5418
P4781
P8102
P3758
P5044
Atom NH1 of residue 14
Atom HB2 of residue 73
P3296
P3497
P2454
P8026
P7881
P6068
Atom H of residue 18
P10381
P1657
P6002
P5366
P7259
P4142
P3825
P2227
P8103
Atom HD13 of residue 13
P3
P8369
P3567
P4730
P5811
P8412
P7367
P5640
Atom CG of residue 52
P2614
Atom CD of residue 33
P2743
P6171
P7073
P3049
Atom H of residue 7
P4048
Atom CD1 of residue 67
P7401
P6762
P7391
P6769
P1699
P2769
Atom N of residue 3
P5579
P5427
P2000
P1975
P2163
P2016
P6912
P7961
P12422
P2827
Atom C of residue 56
P2918
P5045
P4839
P3700
P2533
P1665
P11631
P1900
P7882
P6901
P1636
Atom HA2 of residue 53
P6160
P3759
P6165
P133
Atom N of residue 7
P8103
ALA
Atom HD12 of residue 8
P6134
P7658
P4598
P5208
THR
Atom N of residue 8
P0
P5419
P3215
P8307
P8167
Atom HD3 of residue 27
P7260
P3297
P7955
P3498
P2455
P6922
phys
P6069
P6689
P3916
P6763
P1974
Atom H of residue 34
P4782
P10382
P8027
P3698
P4143
P3826
P1668
GaussianProcessInterpolation52
P6003
P4049
P4731
P5812
P8104
P5641
P1820
P5367
P2744
1G6J_MODEL1.pdb
P6172
P3050
P7368
Atom HD22 of residue 73
P7074
P3568
Atom OD1 of residue 52
Atom CD1 of residue 67
P7402
P7392
P8306
P2770
P2228
P5580
P5434
P2001
Atom CE1 of residue 4
P8370
P6770
P1700
P8413
P6135
Atom NZ of residue 1
P1950
P2828
P2919
P7962
P5046
P4840
P6923
P2164
Atom CE of residue 1
P2017
P1901
Atom HZ1 of residue 29
P6902
P6161
Atom O of residue 56
P3760
P11632
P6166
Atom NZ of residue 33
P2534
P12423
P7659
P131
P4599
P1669
P5209
P6004
P6910
Atom HA of residue 73
P1821
ListSingletonContainer224
P7883
Atom C of residue 53
P1640
Atom HA of residue 34
Atom O of residue 12
P4783
Atom CA of residue 28
P7261
P3298
P3499
P8168
P8028
P6070
P7956
JeffreysRestraint_P0
P3216
P8104
Atom HA3 of residue 53
P5420
Atom CD2 of residue 59
P5428
P2456
P4144
P3827
P10383
P4050
P6690
Atom CB of residue 67
Atom CB of residue 82
P4732
Atom CD2 of residue 67
Multivariate Normal distribution 34
P3917
P6764
P5642
P2168
P5368
P8105
P2745
P3699
P8371
P6173
P3051
P8414
P7369
P3569
P6771
P7075
P2771
P5813
P185
P7403
P5581
P1951
Atom O of residue 53
P2002
P7393
Atom OD2 of residue 52
P1701
P2829
P2920
P4841
P6925
P2537
P2229
Atom H of residue 1
P7963
P6903
P6136
P8105
P6162
P3761
P6167
P5047
LEU
Atom O of residue 7
P2018
P11633
P12424
Atom HZ2 of residue 29
P7660
P135
P4600
Atom CB of residue 56
P5210
P1902
Atom N of residue 83
P1978
P5429
P3299
P3500
Atom HD11 of residue 15
Atom HB3 of residue 73
P2384
P7884
Atom HB2 of residue 34
P8309
P8169
P6005
Atom H of residue 67
P5860
P6691
P3918
P7957
P5421
P7262
P6071
P3217
Atom N of residue 54
P4145
Atom CE2 of residue 4
P2535
P3828
P4051
P3570
P4733
P10384
P8029
P5048
P4784
P5643
Atom CE1 of residue 59
P5369
Atom CG of residue 67
P2746
P2457
P6174
P2170
P186
P8106
P6765
DihedralSingletonScore11
Atom HG1 of residue 7
P2772
P7370
P5814
P7404
P5582
P7076
P3052
P5861
P7394
P8308
P1351
Atom CA of residue 83
P8372
P2830
P2921
Atom H of residue 52
P6772
P1702
P8415
P4842
P6926
P6904
P6163
P6168
P7964
P1913
P2003
P6137
Atom H of residue 53
P7661
P3701
P4601
Atom CA of residue 35
P5211
Atom HD22 of residue 67
P11634
Atom O of residue 43
P7885
P8106
P2019
P3762
P2230
P3919
P12425
P5430
P3300
P3501
P1903
P141
P6072
P1639
P5422
P8170
Atom OG1 of residue 7
P2385
P7263
Atom N of residue 15
P7958
P4147
Atom CB of residue 21
P3829
P6006
P4595
P4734
P8030
Atom CB of residue 59
P5049
P6766
P4785
P3218
Atom C of residue 87
P10385
P6692
Atom HG3 of residue 18
P5370
P2747
P6175
P3053
P2536
P4052
P6773
Atom HA of residue 67
P8107
P7405
P8373
P2773
P5644
P8416
P5583
Atom H of residue 17
P2458
Atom OG1 of residue 66
P3
P1566
P5862
Atom HA of residue 67
Model 190
P2677
P7077
Atom CG2 of residue 7
Atom HE22 of residue 40
P5815
P1969
P7395
P2831
P4146
P2167
P2922
Atom HD2 of residue 19
Atom HD11 of residue 73
P4843
P1642
P3702
P6905
P6138
P1914
P6164
P6169
P1703
P2004
P6924
Atom N of residue 42
P7965
P12426
P7662
P4602
P7371
P5218
Atom HG2 of residue 2
P2
P2020
P3763
P11635
P3920
P5436
P7264
Model 308
Atom HA2 of residue 53
P3301
P134
Atom CA of residue 15
P3502
P6693
Atom CB of residue 43
P6073
P8107
P6007
P2231
ListSingletonContainer225
P5423
P4786
GaussianProcessInterpolationRestraint 20
P7886
P8311
P8171
P3830
P2362
P7959
P4649
P4735
PHE
P5050
P3219
Linear1DFunction 13
P5645
P5371
P2748
P6176
P2171
Atom H of residue 41
P8031
P4053
P1568
Atom CG2 of residue 29
P1910
P7406
P2774
P5816
P8108
P5584
P6767
P3054
P5212
P5863
P6774
Atom HB2 of residue 67
P2678
P7372
Atom HA of residue 17
P1970
P2832
P7078
P2923
Atom HD3 of residue 19
ListSingletonContainer227
P4844
P1643
P7396
P2459
P8310
Atom HB2 of residue 42
P10386
P3921
P6906
P8374
P6165
P6170
Atom CB of residue 12
P8417
P70
Atom HA of residue 1
P7887
P1915
LEU
P7663
P3703
P4603
Atom HB2 of residue 67
P1704
P7966
P4787
P8108
P2021
P3764
P5672
P6139
Atom HD2 of residue 29
P2005
P3302
P3503
P6927
Atom CG2 of residue 66
P11636
P6074
P1652
P4650
P2232
LEU
P12427
P5424
P2363
P7265
P4148
P3831
Atom HA of residue 41
P6694
P6768
P8172
P4736
P8032
Atom HB2 of residue 4
P5051
Atom HB of residue 9
P7960
P0
P5646
LYS
Atom HG23 of residue 22
P6008
Atom C of residue 62
P5372
P2749
P6177
P3055
P5213
P3220
P2538
P10387
P4054
ListSingletonContainer228
Atom HB3 of residue 67
Restraint 136
GaussianProcessInterpolation31
P2775
P2172
P5585
P5864
P3922
P8109
P0
P6907
P7407
P8375
P7373
TYR
P8418
P1971
P2834
Atom HG3 of residue 40
P2924
P6775
P4845
P3704
P2657
P7079
P5817
P7397
P6166
P6171
Atom H of residue 41
P71
P1641
P1916
P7664
P4604
P2460
P6928
P1561
P1907
P4788
P3765
P7967
P7266
P3303
P6009
Atom HB3 of residue 67
P191
P1705
Atom HG23 of residue 26
P7888
P6140
P11637
P12428
P5433
Atom CA of residue 56
Atom HD3 of residue 29
P5425
P2833
Atom H of residue 66
P2022
Atom HD23 of residue 56
Atom HE22 of residue 2
P3504
P8109
P4149
P1653
P3832
P2233
P4737
P2364
P7408
P6075
P8313
P8173
P5647
Atom HB2 of residue 41
P6695
P5377
P2750
P7961
P3056
P4596
P5214
P5052
P6911
P6769
P2006
Atom OE1 of residue 49
Atom N of residue 23
P10388
P2776
P8033
P5586
P3221
P6776
P3923
Atom HG of residue 67
P0
P2539
P4055
Atom HA of residue 41
P8110
P1987
P2925
P5865
P4846
P2658
P6178
P7374
P2169
Atom O of residue 62
Atom CE1 of residue 38
P7080
P6167
P5818
P6172
P72
P7398
P8312
Atom N of residue 27
P7665
P3705
P4605
P8376
P8110
P1562
P8419
P4789
P3766
Atom N of residue 57
P189
P7267
P3304
P3505
P2461
Atom HZ3 of residue 27
P1706
P7968
P1917
P5673
P6141
Atom HG22 of residue 36
P6929
P5426
P11638
P1908
P7889
P1979
P7375
P3833
Atom H of residue 21
P6010
P6696
P12429
P6912
P1644
P4738
Atom NE2 of residue 49
P5053
P6076
P5648
P2234
P5431
P2751
P2007
P8174
P4150
P3057
P4597
P5219
P2365
Atom N of residue 56
Atom CE1 of residue 68
P7962
P2023
Atom HG of residue 67
P4056
ListSingletonContainer226
Atom HB2 of residue 41
P7409
P2777
P8034
P5587
P6770
P4847
P6179
P5866
P10389
P3924
P2173
Atom HB2 of residue 8
P3222
P2926
Atom CA of residue 27
Atom C of residue 66
P8111
P2659
P8377
P8420
Atom OE2 of residue 34
P2540
P6168
ScoreState 20
P6777
P5674
P7081
P5819
GLN
P7666
P1980
P7399
P3706
P4606
P4790
P2835
P3767
P6173
P3305
P73
P6930
Atom N of residue 28
Atom CG of residue 21
P10390
P1707
P7890
P1
P8111
SER
P7969
P12430
Atom N of residue 69
P5427
P6142
P7268
P1918
P3506
P2462
P7376
P3834
P1563
P11639
Atom HG23 of residue 36
Atom HD11 of residue 67
P5054
P5649
P6011
Atom N of residue 42
P2752
P2008
Atom NE2 of residue 62
P1645
P3058
P4598
P5316
P4057
Atom O of residue 66
P6771
P6077
P8315
P8175
P4739
P2024
P2235
P6697
P5375
P7963
P2778
P4151
P2
P2366
P6778
P6910
P5588
P4848
P6180
Atom HA of residue 21
P5867
P3925
P7410
P8035
Atom NE2 of residue 68
Atom O of residue 42
P2927
P3707
P2660
P8112
P1976
P3223
P6169
P6174
P187
Atom HG3 of residue 11
P0
P2174
Atom CD of residue 49
Atom H of residue 5
P7669
P4607
P7082
P5820
Atom CA of residue 57
P67
P7400
P4791
P2836
P8314
P2541
P3768
P3306
P6931
P8378
P10391
P8421
P5434
P6698
P5376
P7970
P7269
Atom H of residue 34
P3507
P8112
P7377
P3835
P6012
P5437
P6143
Atom N of residue 63
P11640
P188
Atom CD1 of residue 15
P7891
Atom HD3 of residue 19
P5055
P6078
P5650
P1564
P1708
P12431
P1919
P2753
P2463
P1646
P3571
P4599
Atom CB of residue 66
P4740
P7411
P8176
P2779
P4217
P5317
P8036
P5589
P4853
P7964
Atom CA of residue 27
P5868
P2236
P3926
Atom HB of residue 61
P2367
Atom HD2 of residue 11
Atom H of residue 68
P6772
P2009
Atom HA of residue 49
P2928
P6779
P5860
P1597
P2661
P6181
Model 368
P2025
Atom HD12 of residue 67
P7670
P1977
P5428
P3224
Atom H of residue 62
P6170
P8113
P8379
P2544
P4058
P8422
P4608
P2837
P7083
P2176
P5821
P3769
P6175
Atom H of residue 15
P7892
P3307
P7401
P0
P10392
Atom C of residue 57
Atom CA of residue 49
P3708
GaussianProcessInterpolation19
P8113
P6149
P68
P6932
P4792
Restraint 89
P5861
P3508
P4218
P7378
P3836
P5438
P4741
P6144
P5651
P2542
P1565
Atom HG23 of residue 30
P6699
P11641
P1709
P12432
Atom N of residue 62
P7270
P2754
P6773
P1647
P4600
P5328
P6013
P1920
P1599
P2464
Atom HA of residue 62
P2780
Multivariate Normal distribution 20
P8499
P5056
P5590
P4868
P6079
P8317
P8177
P3595
Atom HD13 of residue 67
P2237
P3927
Atom OG1 of residue 66
P7971
Model 289
P7965
P5429
P2368
P37
P2929
Atom O of residue 27
P4059
P7412
P2662
Atom NZ of residue 27
P6182
P8037
Atom HA of residue 68
P2010
P7671
P1981
P3225
P6171
P5869
P6780
P6176
P2026
P8114
P3709
P4609
P2838
P3770
Atom O of residue 28
P3308
P7084
P5822
P10393
Atom CA of residue 62
Atom C of residue 49
P7402
P8316
P38
P8380
P4793
P6014
Atom O of residue 57
P8423
P7893
P5862
P7271
P3509
P3837
Atom CA of residue 31
P5439
P6080
P4742
P7972
P8114
P7379
P5652
P1540
P6505
P6145
P2755
P6933
P3596
P4601
P11642
P7413
P6700
P12433
P2781
P2543
P5057
P5591
P6774
Atom H of residue 20
P2238
P3928
P1982
P5430
P8178
P5220
P8500
P2369
P1710
P1921
P4851
P7966
P2465
P1648
P2175
P2930
P2663
P6183
P1569
P8038
P2011
P7672
Atom N of residue 49
P4221
P6172
P5870
P4060
P6177
Atom HE2 of residue 27
P2027
P3710
P4610
P1545
P8115
P8381
P2839
P3771
P8424
P7272
Atom CB of residue 28
P3309
P3510
P8115
Atom HD21 of residue 67
P6781
P190
Atom CB of residue 62
P1595
P3226
P7085
Atom CB of residue 21
P5823
Atom CD1 of residue 71
P4794
P10394
P6506
P5863
P7380
P3838
P5440
Atom HG12 of residue 5
P6934
P4743
P7894
P7973
P5653
Atom HD11 of residue 36
P6015
P6701
P12434
P2756
Atom H of residue 27
P4602
P6146
P1983
P6081
Atom O of residue 70
Atom CB of residue 57
P11643
P4852
P7403
P2782
P3572
Restraint 9
P5592
ModelScoringFunction18
P2178
P3929
P7414
P5436
P4244
P5221
P5058
P6775
P8319
P8179
P1649
P2931
P39
P7967
P2665
P6184
P1570
P0
P1711
P1922
P1598
Atom NE of residue 42
P6173
P2370
P6178
P1335
P8039
Atom HA2 of residue 76
P2239
GLN
P4611
P5871
P4061
P6782
P1363
Atom CD2 of residue 71
P4795
P2840
P3772
P8116
P3310
P7699
P2466
Atom HB2 of residue 42
P10395
P3711
P3227
Atom CG of residue 21
P6150
P7086
P2180
P2028
P5824
P7895
P5864
MD 12
P2012
P7404
P3511
P2664
P8318
P8116
Atom CB of residue 70
P7381
P3839
P5441
P1984
P6935
Atom HH12 of residue 74
P8382
P4744
P1534
P8425
Atom HB3 of residue 37
P5654
P1339
P7273
P2757
P4603
GeneralizedGuinierPorodFunction 43
P7974
Atom C of residue 62
P6016
P6147
P2783
P3573
P4062
P11644
P5059
P5593
P6776
P6082
P2545
Atom N of residue 63
P8502
P6702
Atom OG of residue 57
P1366
P12435
P8415
P5672
P5222
P192
P2932
P7415
Atom HD11 of residue 8
P6185
P8180
P4219
P8040
P3930
P7968
P6174
P5872
P6179
P2240
P7975
P40
P3712
P1
P6783
Model 331
P4796
P2841
P3773
P1712
P3311
P7700
P10396
Atom H of residue 71
P8117
P1923
P1985
P4612
Atom HH21 of residue 74
P8383
P1650
P8501
Atom HA3 of residue 76
P2371
P8426
P7274
P1600
P7405
P3512
P2467
P7087
P7382
P3840
P1567
P5825
P4063
P1538
P1367
P5442
P4745
P2029
P6703
P5865
Model 40
P8117
Atom CG1 of residue 70
Atom HD13 of residue 36
P6017
P2758
P6936
P3228
P4604
P6151
P7896
P2013
Atom C of residue 9
P6083
P4220
P2784
P5655
P5594
P6148
P11645
P12436
Atom HD11 of residue 61
P7416
P5223
Atom HD23 of residue 67
P3574
P2933
Atom C of residue 76
P3713
P2666
P5433
P6186
P8503
ALA
P1535
P5329
P6777
P8321
P8181
P6175
P2177
P2055
P6180
P7969
P7976
P1319
P8416
P1986
Atom HB2 of residue 37
P4614
P3931
P6937
P4797
P2842
P8041
P3774
P3312
P5873
P10397
P6784
P1360
Atom O of residue 53
P8118
P7897
P1601
P7673
P195
Atom HD22 of residue 71
P5866
P7275
P3513
Atom HH22 of residue 74
P8118
P4064
P2372
P1713
P5443
P7088
P4746
P2030
P5826
P2241
P6
P6152
P1924
P7406
P8320
P1651
Atom HD13 of residue 8
P2759
P4613
P2468
P8384
P3229
P4605
Atom H of residue 57
P8427
Atom HB of residue 70
P2014
Atom CB of residue 7
P4156
P7383
Atom N of residue 68
P6704
P6778
P2785
P3575
P5656
P5595
P1571
P6018
P5224
P6785
P11646
P193
P41
P6084
P3841
P12437
P8417
P2008
P3716
P2667
P5673
P6187
P5874
Atom H of residue 76
P3932
P5330
P7407
P6176
P3775
P6181
P7417
P8182
P2934
P8504
P7977
P7970
P5095
P6938
P2843
P8323
P2181
P2101
P8042
P1536
Atom HA of residue 49
P7276
P3313
Atom CA of residue 32
Atom HA of residue 57
P7674
P42
P4798
P8119
P5867
Atom O of residue 102
P3514
P8385
P1655
P4065
P1714
P8428
P5444
Atom HG11 of residue 70
P4747
P6019
P10398
P6153
P7898
Atom N of residue 75
P7089
Atom C of residue 24
P5827
P2373
P2760
P6085
P3714
P4606
P1925
P5674
P8119
P4157
P7384
P2786
P5657
P3842
P1572
Atom HG23 of residue 30
P2242
P7418
P5596
P1606
P2469
P6705
P12438
P2
P0
P5225
P6786
P1335
P3933
P6779
P2015
P3230
P3576
P2031
P11647
P7
P6188
Atom HD23 of residue 15
P7408
P6177
Atom N of residue 76
P6182
LYS
Atom HB2 of residue 49
P2935
P7978
Atom C of residue 32
P5318
P2668
P8183
HIS
P5875
P5120
Atom HB2 of residue 57
P6939
P2844
P2182
P3776
P7277
P8418
P3314
Atom N of residue 103
P1602
Atom HG12 of residue 70
P43
P8043
P7675
P4799
P8120
P5868
P3515
P4615
P1664
P3843
P8120
P5445
Atom HG13 of residue 30
P4748
Atom HB3 of residue 19
P10399
ListSingletonContainer229
P6154
P7971
Atom HG3 of residue 74
P5658
P2374
P1715
P2761
P7090
P4607
P1575
P6908
P4066
P7899
P1926
P8322
P4158
Atom O of residue 24
P6020
P6706
P1537
P8386
P2787
P3577
Atom CD1 of residue 23
P8429
P5597
P6086
P3715
P7385
P5226
P2243
P6787
P3934
P2016
P3231
P2936
P7419
Atom C of residue 28
P2470
P6189
P5124
P1311
P11648
LYS
P6780
P101
P7409
P8506
P12439
P8419
P5437
Atom HG2 of residue 19
Covariance1DFunction 95
P194
P5319
P2179
P2032
Atom HB3 of residue 49
THR
P6940
P4800
P2845
P8184
P8044
P3777
P6183
P7979
P7278
P3315
P7972
P2669
P5876
P1541
P7676
P6178
Atom CA of residue 68
Atom HG13 of residue 70
P3516
P4616
P3844
P6909
P4067
P5446
P3
P103
P4749
Atom HB3 of residue 57
P6155
P8121
P7900
P8387
P8121
P5659
P8505
P8430
P5598
P2762
Atom HG3 of residue 31
P4608
P10400
P0
P5869
P44
P7091
P4159
P7386
Atom CA of residue 22
P1716
P2788
P3578
P1341
P1654
P6021
P5227
Atom C of residue 68
P2244
P6788
P1927
P6087
P2937
P6707
P6190
P2375
P2017
P7410
P3717
P11649
P6184
P12440
P7420
P5438
P8325
P7980
P5320
P2471
P5877
Atom CZ of residue 54
P4801
P3232
P6179
Atom HG of residue 57
P3935
P1351
P7279
Atom HG23 of residue 7
P6781
P3316
P7973
P2670
P8185
P2033
P5096
Atom HG2 of residue 49
P6941
P2
P2192
P8420
P7677
Atom HA2 of residue 10
P2846
Atom OG1 of residue 7
P3517
P4617
P3845
P8045
P4068
P1542
Atom C of residue 63
P5447
P4750
P10401
P6156
Atom CG of residue 40
P8122
P5599
P2763
P4609
Atom O of residue 18
P6708
P1
P5870
P1
P8122
P4160
P6022
Atom O of residue 68
P3778
Atom HB2 of residue 38
Atom HE21 of residue 31
P7092
P2789
P3579
P5660
P6853
P7901
Atom HD23 of residue 73
Atom O of residue 28
P6088
P8324
P1717
P1928
P45
P8388
P5228
P8431
P7387
P2938
P7421
P6191
Atom HD21 of residue 56
P6789
Atom N of residue 58
P6185
P3936
P5439
P2245
P11650
P7981
ListSingletonContainer446
P5321
P6782
P2018
ListSingletonContainer388
P7411
P8508
P12441
P8421
P6942
Atom HD2 of residue 54
P4802
P6180
P2376
P7280
P3317
P2671
P2034
P5097
P2472
P3233
P8186
Atom CD1 of residue 34
P197
P7678
P7974
P2847
P5878
P1543
P3518
P4618
Atom OG of residue 85
P8046
P7902
P5448
P3718
P2193
P4751
P6157
P8123
Atom OE1 of residue 41
P2764
P4610
P3846
P6854
P4069
P8123
P8389
P4161
P8507
P8432
P104
P2790
P3580
P5661
Atom HZ3 of residue 33
P10402
Atom N of residue 74
P5871
P5600
Atom CA of residue 27
P1329
P6709
P3
Atom HZ1 of residue 6
P7975
P5229
Atom CB of residue 58
P6790
P3937
P2939
P6023
P1718
Atom CB of residue 1
P1929
Atom CA of residue 5
P6192
P7388
P3779
P46
P6089
Restraint 163
Atom CD2 of residue 68
P6186
P12442
P5440
P5879
P7982
P5322
P6783
P4803
P7093
P11651
P2
P7422
P7412
P6943
P2848
P2246
P7281
P2019
P3318
P2672
P1333
P2183
P5098
Atom C of residue 40
Atom CD of residue 54
P2377
Atom HB3 of residue 38
P7679
P8187
P6181
P3519
P4619
P3234
P3847
ListSingletonContainer230
P5449
P8422
P2473
P4752
P2035
Atom CE3 of residue 111
P6158
Atom HG3 of residue 37
Atom N of residue 86
P8047
P2765
Atom HB3 of residue 16
P4611
P6024
P6855
P4070
P7903
P5872
P3719
P4162
Atom CG of residue 58
P8124
P6090
P2791
P3581
P5662
P0
P5601
P105
P8124
P10403
P3780
P7976
P7094
Atom N of residue 34
P5230
P6791
P3938
P2
ARG
P7423
P2940
P6710
P1719
Atom CD2 of residue 45
P5323
Atom NE2 of residue 41
P8390
P6193
P8433
P7389
Atom CE1 of residue 68
P6187
P1930
P59
P5441
Atom C of residue 27
P7413
P6944
P2849
P11652
P198
P7282
P6784
P2020
P3319
P3520
P2673
P8510
P5880
P2122
P5099
P12443
P8423
P2247
P2378
P7983
P7680
P6182
P2184
Atom CZ of residue 42
P4620
Atom NE of residue 54
Atom N of residue 57
P8188
P8048
P4071
P5450
P3720
P8125
P4753
P3781
P6159
P3235
P2766
Atom HZ3 of residue 6
P2474
P2
P4612
P3848
P2036
P6856
Atom CZ2 of residue 111
Atom HD3 of residue 37
P4163
Atom CA of residue 34
Atom HG2 of residue 16
P2792
P3582
P5663
P8125
P7904
P5602
P8391
P8509
P6025
P6711
P8434
P6785
P102
P7977
P7095
P5231
P10404
P6792
P3939
P5873
Restraint 119
P6091
P2941
P1720
P5324
P6194
P1659
Atom HG of residue 73
Atom O of residue 54
P7414
P7424
P1931
Atom N of residue 9
P3721
P5442
P7390
Atom CA of residue 57
Atom N of residue 69
P2123
P1
P2850
P6188
P7283
P2021
P3320
P2674
P3239
P5100
Atom C of residue 58
P11653
P4097
P12444
P2248
P7984
P7681
P6183
P5881
Atom HD13 of residue 30
P3521
P4621
P6945
P4072
P2379
P5451
P8189
P4754
MET
P6160
Atom O of residue 19
P5874
P8424
P2185
P3849
P6857
P3782
P199
Atom HG2 of residue 37
P7905
Atom C of residue 73
P8126
P4164
Atom NE2 of residue 68
P8049
P1361
Atom CB of residue 54
P3583
P5664
P2037
P5603
P2767
THR
P2475
P4613
P8126
Atom O of residue 41
P6786
P48
P7978
P3240
P5232
P3940
P2793
Model 380
P2942
P6026
P10405
Atom HD12 of residue 15
P6195
P7096
P1660
P6092
P6712
Atom HG13 of residue 17
P1932
P3722
P8392
P5443
P6793
P1721
P8435
P4098
P5325
P7391
P1178
Atom CB of residue 45
P7425
P2851
P6189
P7284
P3321
P7415
P2809
P5882
P5101
P2249
P11654
P196
P1362
P7682
P6184
P8512
P12445
Restraint 103
P8425
P2022
P3522
P4622
P6946
P7097
P3850
P3783
P7985
P5452
ListSingletonContainer389
P4755
P6161
Atom HA of residue 33
P4
P8190
P2380
Atom OD1 of residue 58
P8393
P4615
P1180
P6858
P4073
P4165
P8050
P2794
P3584
P5665
P2038
P2072
P6713
Atom CG of residue 45
P5875
P5604
P2768
P8127
Atom C of residue 33
P6027
Atom CB of residue 41
P6787
P7392
P2186
P5233
Atom HG12 of residue 5
P8127
P7906
P6093
P2943
P8511
P8436
P7979
P2476
P6196
P10406
P49
P6195
P3941
P7426
P5444
P4614
P6794
P5326
Atom O of residue 73
P2810
P1655
Atom CG of residue 54
P2852
Atom HG13 of residue 70
Atom HG2 of residue 33
P7285
P3322
P7416
P3723
P3523
Atom CB of residue 68
P5102
P12446
P2043
P7986
P1357
P1933
P7683
P6185
Model 272
P11655
P1722
P4623
P4655
P7098
P3851
P4074
P3784
P2250
P5453
P4756
P5883
P6194
P6162
P6947
Atom OD2 of residue 58
P7907
P2769
P8191
P1326
P6859
Atom HZ3 of residue 29
P8128
P4166
P2381
P8426
P2023
P2795
P5666
P5605
P8051
P2073
P6788
P7980
P2187
P5234
P5876
Atom HG21 of residue 70
P2944
Atom N of residue 52
P6714
Atom HG3 of residue 33
P8128
P2477
P6197
P1358
P3585
P7393
P6028
P10407
ListSingletonContainer231
P3942
P3724
P5445
P5327
P6094
Atom CB of residue 50
P2853
P5884
P6795
P6371
P8437
P7286
Atom CB of residue 73
P3323
P2141
P5103
P1656
P7427
P4656
Atom C of residue 88
P2045
P1934
P7684
P7417
P2806
P4806
P6186
P1801
P4624
P6948
P7099
P3852
P3785
P11656
P5454
P4757
P8514
P1723
P6163
P12447
P8427
Atom CE2 of residue 38
SER
P2251
P7987
P2770
P50
P6860
P4075
P200
P8192
P4167
P8052
Atom O of residue 58
P2024
Atom HG23 of residue 70
P5667
P6029
Atom CG of residue 68
P7908
P5877
P5606
P2074
P2382
P6095
P7981
P5235
Atom CA of residue 1
Atom N of residue 44
P3524
P8129
P2796
P4616
P2945
Model 119
Atom N of residue 30
P5332
P6789
P6198
P2188
P8129
P7428
Atom CD of residue 42
P3586
P8513
ASP
P6715
P3943
P8438
P5432
P3725
P5446
P10408
P6796
P107
P2478
P7394
P6192
Atom CG of residue 50
Atom HB2 of residue 16
P2854
P4871
P7287
P3324
P7418
Atom CZ of residue 38
P3786
P5104
P1710
P1657
P4
P4657
Atom O of residue 88
P1183
P0
P7685
P2807
P6187
P5885
P4625
P7100
P2042
P4076
P1803
P5455
P4758
Atom CG of residue 15
P11657
P1724
P6164
P12448
P2771
P8130
P3853
P6861
P7988
P82
P6949
P4168
P2252
P3525
P4821
P2797
P5668
P5336
P5607
P1935
Atom HZ1 of residue 48
Atom CA of residue 20
P2383
ListSingletonContainer233
P6790
P8428
P7982
P5236
P7909
Atom N of residue 71
P4617
Atom O of residue 87
P2946
P6030
P8053
P2075
P6716
P5435
P6199
P1662
P5878
P2025
ILE
P6096
P5
P3587
P7395
P3787
P3944
P8130
P5447
P2189
P1711
P10409
Atom CA of residue 52
P6193
P7429
P2855
P4932
Atom ND1 of residue 68
ListSingletonContainer447
P7288
P3325
P3726
P5105
Atom CA of residue 51
P2479
P4658
P6797
P8439
P7686
P6188
P1181
Model 149
Atom HE3 of residue 29
P4626
P3854
P4
P4077
P5456
Atom HG2 of residue 42
P7419
P3526
P3059
P4759
P5886
Atom CA of residue 58
P6165
P1799
P7101
P11658
P2772
Atom HZ2 of residue 48
P4837
P8516
P6862
P12449
P8429
P4169
P7989
Atom HE2 of residue 11
P5879
P6950
P2798
P5669
P7910
Atom CG2 of residue 109
P5608
P8131
Atom CE of residue 1
Atom H of residue 57
P2253
P2387
P1725
P6791
Atom HG23 of residue 17
P5237
P1813
P5142
P3945
P4618
Atom CB of residue 87
P2947
P8054
GLN
P6200
Atom C of residue 52
P1936
P3588
P1184
P6031
P3788
P2076
P6798
P1663
P5331
P7983
P3727
P5448
P8131
P2026
P6097
P8515
P6717
ASP
P8440
ListSingletonContainer448
P5379
Atom CA of residue 34
P7420
P3
P2856
P2190
P1345
P10410
ListSingletonContainer232
Atom H of residue 11
P7289
P3326
ListSingletonContainer390
Atom CA of residue 44
P7396
P7430
P3072
P4659
P4854
P7687
P6189
Atom O of residue 3
P5887
Atom C of residue 15
P4627
P4845
P7102
P5457
P2480
P4760
P6166
P12450
P2773
P81
P3527
P3855
P6863
P4078
P5106
P11659
Atom N of residue 18
P2807
P4170
Atom NZ of residue 6
P5670
P1704
P1804
P7990
Atom N of residue 110
P5609
P6951
P2254
P6792
P106
P5238
P6718
P5880
Atom NE2 of residue 57
P8132
P4619
P2948
P6032
Atom HA of residue 57
Atom HD3 of residue 42
P5143
P1726
P8430
P6201
P7397
P1814
P2388
P7911
P6098
P3589
Atom O of residue 49
P8055
Atom CA of residue 40
P3946
Atom HZ3 of residue 48
P7984
P3728
P5449
P1937
P2027
P2077
P8132
P7431
P5380
P2857
P3789
P6799
P7290
P3327
P10411
Atom C of residue 34
P2811
P4660
P2191
P4855
P7688
P7421
P6190
Atom CA of residue 71
P4628
Atom HD22 of residue 8
P7103
Atom HG13 of residue 13
Atom C of residue 50
P5107
P201
P8441
P1784
P5458
P4761
Atom CG of residue 83
P6167
Atom HG3 of residue 11
P2774
P4807
P6864
P5888
P4079
P2481
GeneralizedGuinierPorodFunction 8
Linear1DFunction 4
P2808
P4171
P11660
Atom N of residue 40
P7912
P5068
Atom HG22 of residue 22
P3528
P1409
P5671
Atom HH11 of residue 42
P5144
P12451
P1661
P5610
P8431
P8133
P1
P8521
P2255
P7991
P6952
P5239
P1705
P4620
P2949
P1809
P8056
Atom HG13 of residue 3
P1727
JeffreysRestraint_P1
P6202
P5881
P3590
Atom CB of residue 49
Atom HB2 of residue 57
P3790
P6719
P3947
P6793
P3729
P5450
P3856
P7398
P6033
P2078
P5381
P77
P7985
P1410
P2858
P2195
Atom O of residue 50
P2386
P8133
P7291
P1938
P6099
P8442
P2812
P4661
P4856
P5889
P10412
P6800
Atom HD2 of residue 11
P7689
P6191
P7432
Atom O of residue 34
P2028
P3328
P4629
P7104
P5108
P7422
Atom O of residue 50
P6168
P1783
P3529
P5677
P2775
P6865
Atom HD11 of residue 3
P1411
P2803
P4172
P4762
P4080
P1802
P11661
P5145
P12452
P5069
P5611
P2
Atom HG23 of residue 22
P5459
P2482
P2724
Atom CD1 of residue 83
P5240
P6034
P1311
P1706
P7913
P7992
P5882
P53
P6953
P4808
P4621
P3857
P2950
P1810
ListSingletonContainer391
Atom C of residue 71
P6100
P6203
Atom HA of residue 5
P8134
P3591
P6794
P8432
P7986
P5451
Atom HH12 of residue 42
P2256
P7433
Atom CG of residue 49
P8057
P2079
P1822
P6720
P4191
Atom HA of residue 71
P5382
P1784
P3
P2859
Atom CG2 of residue 7
P2252
P3791
P6801
P7292
P1939
P3730
P7399
P8134
P4857
ListSingletonContainer235
P1728
P7690
P54
P7423
P6192
Atom HB3 of residue 57
P10413
P1805
P1781
P3329
P3530
P4630
Model 369
P5678
P4662
Atom HG23 of residue 5
P4763
P5890
Atom CB of residue 50
P6169
P3948
P2029
Atom N of residue 71
P8443
P2776
P6866
P5109
P5460
P2725
P7105
P4173
P4809
P8135
P2804
P5612
P11662
P5070
P1405
Atom HD2 of residue 59
P5241
P8517
P4081
P1707
P12453
Atom HD2 of residue 33
P8433
P109
P4622
P3858
P2951
P1811
P3
P7993
P6954
P6204
LEU
P7914
Model 290
Atom HB2 of residue 71
P2483
P6035
P6721
P4192
P3731
P5452
P2257
P5146
P5883
Atom HB of residue 14
P6101
P7400
Atom C of residue 76
P8058
P5383
P6795
P2860
P3592
P3792
P7293
P3330
P3531
P7434
P7987
P4858
P3949
P1806
P8135
P1940
P7691
Atom CE2 of residue 59
P6193
P2
P8444
Atom CA of residue 60
P4631
P10414
P2080
P6802
P4663
P6170
P2035
P2194
P1729
P2777
P7424
P6867
P5891
Atom CG of residue 50
P5110
P5461
Atom CB of residue 106
P7106
P4174
P5675
P4764
P4082
P1823
P4810
P3859
P4
P12454
P5613
P1406
Atom HB3 of residue 71
P1782
P5884
P2118
P5242
P11663
P7915
P5071
P8136
P4623
P2952
P4655
Atom C of residue 75
P5150
P1774
P2681
P6205
P4107
P7994
Atom HD3 of residue 33
JeffreysRestraint_P0
P6955
P3593
Atom CE of residue 11
Atom O of residue 76
P3793
ASN
P6796
P3732
P5453
P3950
P55
Atom HG23 of residue 17
P6036
P6803
P202
P1708
P5384
Atom O of residue 30
P8434
P2484
P2861
P1812
P7294
P2049
P3331
P6102
P3532
P1414
Atom CA of residue 42
P8059
P6722
P7425
P4859
P7692
P7988
P7401
P6194
P2258
Atom HD23 of residue 50
P5147
P8136
P7435
P4632
P2081
P1941
P4664
Atom CG of residue 106
P5676
P4765
P5892
P10415
P6171
P1807
P2778
P3860
P6868
P4083
P5111
Atom HG of residue 71
Atom HG21 of residue 70
P4175
P1730
P8445
P4811
Atom CA of residue 18
Atom N of residue 41
P5614
P108
P7107
P2676
P4656
P5462
Atom OH of residue 59
Atom CB of residue 32
Atom CB of residue 30
P4624
P2953
P1824
P11664
P5072
P6206
P6723
P4108
P12455
P5885
P8435
P8137
P2119
P7995
P1783
P56
P3733
P6956
P5454
P7402
P7916
P6103
P2682
P8060
P1713
P5385
P1418
P2862
P3594
P5243
Atom CA of residue 75
P3794
P5148
P3951
P7295
Atom CD2 of residue 4
P3332
P1775
P3073
P7436
P6797
P4860
P1820
P6804
P2033
P7693
P2485
P6195
P6037
Atom C of residue 51
P1808
P7989
P3533
P4633
Atom HA of residue 22
P8137
Atom CB of residue 16
P7426
P4665
P4766
P2259
P6172
P8446
Atom O of residue 33
P10416
P1942
P2779
P3861
P6869
P5112
P1825
Atom CB of residue 61
P7108
P4176
Atom CG1 of residue 30
P4820
P5893
P2082
P5615
P2677
P4657
ListSingletonContainer234
P1731
P7917
P5463
Atom OG of residue 65
Atom H of residue 59
GLY
P1787
Atom CD2 of residue 4
P8138
P4625
P2954
P6207
P11665
P12456
P5073
Atom C of residue 60
P6798
P2069
P3597
P5244
P3795
P1719
P2034
P3338
P5455
P4084
Atom O of residue 51
P7996
P5886
P2683
P6957
P3075
P6724
P5386
P2863
P5149
P7296
P57
P1776
P3734
P4812
P1821
P6038
P8436
P4861
Atom CG of residue 32
P3952
P7694
P6104
P1412
P6196
P8061
ListSingletonContainer392
P3534
P4634
P3862
Atom HD2 of residue 27
P5894
Atom C of residue 22
P6805
P7990
P4666
P4767
P6173
P8138
P7437
P2486
P2780
P7427
P7403
P6870
P10417
P5113
P2260
Atom HA of residue 3
P1792
Model 398
P4177
Atom HB of residue 22
P1700
P1943
P2083
P5616
P4658
P8447
P5464
P58
P1413
P3599
Atom N of residue 40
Atom N of residue 4
P7109
P4626
P2655
P2955
P4085
P1732
P6208
P7918
P5887
P111
P5245
P4114
P1826
P11666
P5074
P3339
P6105
P5456
Atom CG of residue 96
P12457
P8437
P2684
P3953
P7997
P5387
P6799
P6958
P2864
P3796
P7438
P3735
P3535
P4813
P2070
P0
P6039
P6725
P1712
P4862
P6806
P7695
Atom HD23 of residue 67
P7404
P3060
P6197
P8062
P1701
P4635
P3863
Atom HD3 of residue 27
P7428
Model 49
P1417
P4667
P8139
P4768
Atom HG1 of residue 22
P6174
P1777
P7991
P1815
ASP
Atom CB of residue 13
P2781
Atom N of residue 32
P6871
P5114
P8448
P2487
Atom C of residue 65
P4178
Model 284
P1944
P2261
P5151
P1785
P5617
P4659
P5465
Atom HD11 of residue 8
Atom HZ3 of residue 11
P3600
P7297
P4627
P2656
P2956
Atom CB of residue 51
P1843
P1733
P8139
P6209
P8140
P7110
P5895
P12458
P10418
P4086
P3797
P2084
P3954
P3736
P5457
P4855
P11667
P7919
P5075
P2685
P6726
P5388
P3337
P74
P2865
P5246
P4115
Atom HZ3 of residue 6
P7998
P5888
P113
P6106
P6959
P4814
Atom HD12 of residue 8
P1965
P1828
P6800
P4863
Atom OE1 of residue 24
P0
P7696
Atom O of residue 65
P2071
P7405
P3061
P6198
P6040
Atom CA of residue 39
P7439
P8438
P3536
P4636
Restraint 137
P3864
P3
Atom CE2 of residue 108
P4668
HIS
P4769
P8063
P6175
P1778
Atom HZ1 of residue 6
P6807
P1786
P2782
P7992
Atom OD1 of residue 52
Atom HB3 of residue 72
P6872
P5115
P1695
P8140
P4179
P7298
P1945
Atom CG of residue 41
P7429
P5896
P10419
P5618
P4660
P5466
P2488
P2262
Atom HB2 of residue 19
P4628
P2657
P2957
P4110
Atom CG of residue 51
P5152
P8449
P5889
P6210
P8142
P3598
P6041
Atom HG21 of residue 22
P7920
P7111
Linear1DFunction 33
P3798
P2085
P1734
P3955
P5458
P4856
Atom HA2 of residue 47
Atom C of residue 2
P2686
P4087
P11668
Atom OE2 of residue 24
P5076
P5389
P6801
P2866
P5247
P12459
P8439
P110
P3737
P3537
P4815
P6808
Atom CE3 of residue 108
P7999
P6960
P4669
P4864
P6107
P3062
P6199
P4109
P8064
P6727
P7430
P4637
P3865
P2072
P7406
P4770
P2
P6176
P7440
P4
Atom CB of residue 31
Atom HD23 of residue 8
Atom NZ of residue 6
P2783
P6873
P5116
P8141
P7993
P4180
P7299
P7697
Atom HG2 of residue 72
P5897
P10420
P4088
P8450
Atom HA of residue 3
P5619
P1666
P75
P3152
P4661
P5467
P1779
P3956
Atom C of residue 39
P4629
P2658
P2958
P5153
P1696
Atom CD of residue 41
P2489
P6211
P8143
P6042
P5
P1
P1946
P7112
P7407
P1932
Atom HG22 of residue 22
P2263
P4857
P5890
P2687
P1735
P5390
P2867
P5248
P3799
P11669
P7921
P12460
P5077
P6108
P3738
P4816
Atom N of residue 9
Atom NZ of residue 11
P4865
Atom CB of residue 14
P2086
Atom N of residue 95
P8000
P60
P6961
Atom CG of residue 31
Atom HD21 of residue 67
P6200
P7441
P6802
P3538
P4638
P5459
P4089
P6728
Atom CD of residue 51
P6809
P4670
P4771
P6177
P7300
P8440
P7698
P3063
Atom HG3 of residue 72
Atom HA3 of residue 47
P2784
P7431
P2073
P3866
P6874
Atom CG of residue 53
P8065
P5123
P4181
Atom C of residue 69
Atom HE3 of residue 11
P7994
P5154
P8142
P5620
P3153
P4662
P0
P5468
P5898
P10421
P3957
P8214
ListSingletonContainer393
P0
P4630
P2659
Atom HH11 of residue 74
P2959
P1697
P7922
P1780
P6212
P6043
Atom CB of residue 7
P1947
P3800
P8451
P8141
P7408
P4858
P6803
P2688
P7113
P3
P5391
P2868
P5249
P8143
P5891
P7301
P5460
P4817
P4121
P5117
Atom OE1 of residue 51
P11670
P1736
P5078
P2490
P4866
P10422
Atom CD2 of residue 53
P2087
P2264
ALA
P12461
P8441
P6201
P1933
P8001
P3739
P3539
P4639
P6962
P3867
P5899
P4090
P6729
P6109
Atom CD of residue 31
P4772
Atom H of residue 47
P7764
P61
P3064
P6810
P2785
Atom HD22 of residue 67
Atom N of residue 75
P6875
P8066
P7442
P4182
P7432
P2074
P5155
P5621
Atom HA of residue 7
P7995
Atom O of residue 26
P5469
P1621
P4
P6178
P3958
P8452
Atom OE1 of residue 40
P4631
P2660
P2960
Atom CG of residue 69
P1781
P6213
P4671
P4663
P6044
Atom HE3 of residue 6
P0
P115
P1342
P8215
P8144
P3077
P7409
P4130
P5118
P7923
P5892
Atom CG2 of residue 5
P2689
Atom CG2 of residue 47
P5392
P6110
P2869
P7114
P5250
P3801
P4859
Atom HB3 of residue 67
P8144
P12462
P1
P7302
P7765
P3740
P3540
P5461
P4818
Atom HB3 of residue 27
P1737
P1948
P6804
P4867
P10423
P11671
P1702
P5079
P7443
P3065
P6202
P1934
P6730
P4640
P3868
P5900
P4091
P2265
P6811
P8002
P2491
P6963
P4773
Atom HA2 of residue 47
Atom CB of residue 26
P2786
P7433
Atom HB3 of residue 4
P6876
P2088
P8442
P1
P2075
P4183
P6179
ListSingletonContainer449
P62
GLY
P8067
P5156
P5622
P4672
P5470
P7996
P4632
P2661
P2961
P1622
P0
Atom C of residue 21
P6214
P8145
P4664
Atom NE2 of residue 40
P4112
P3959
P8201
P3741
P3078
P7410
P6045
Atom HG3 of residue 6
P5119
P4860
UnaryFunction34
P2690
P8453
P5393
P2870
P5251
P3802
Atom OE2 of residue 51
P8145
P7924
P7303
P1787
P3541
P4819
P7115
P1738
Atom CD1 of residue 69
Atom HG13 of residue 17
P4933
P10424
P5893
P6111
Atom HG2 of residue 27
P3066
P6203
P6731
P11672
P5080
P6805
P5462
P3869
P5901
P4092
P2266
P12463
Atom SD of residue 1
P8443
P4774
Atom HD11 of residue 67
P8003
P7444
P6964
P4673
Atom CA of residue 75
P2787
P4641
P6877
P8068
P1989
P7768
P2492
P4184
P0
P1355
P6812
P6180
P112
Atom OD1 of residue 32
P2089
P5157
P2
P5623
P2076
P1935
P5471
P7434
P4113
P3960
P63
P7997
P4633
P2662
P2962
Atom HD2 of residue 6
P6215
P4665
P6046
Atom HA3 of residue 47
P8454
Atom H of residue 2
P4934
Atom HH21 of residue 74
P3803
P1310
P8202
P5894
P3742
P3079
P5125
P4861
Atom CB of residue 69
P7925
Atom N of residue 41
P1623
P1817
P2691
P5394
P8146
P7411
P5252
P1699
P8146
P3542
P4836
P6806
P7116
P10425
P2871
P3067
P6204
P6813
P7304
P5463
P3870
P5902
P2065
P4093
P11673
P12464
P5081
Atom HD12 of residue 30
P6112
P4775
P2113
P6732
P7859
P7435
P2267
Atom H of residue 51
P1739
P8004
P2788
Atom O of residue 27
P4642
P6965
P6878
Atom HD12 of residue 67
P7445
P4674
P4185
Atom H of residue 47
P2090
P5158
P5624
P8444
P5215
P5472
P2493
Atom OD2 of residue 32
P8069
P6181
P1702
P8147
P2077
P4634
P2663
P2963
Atom HD2 of residue 68
P7998
P6216
P4666
P6047
Atom HA of residue 30
Model 105
P1936
P1356
P3804
P3961
P8203
P3743
P3080
P7412
P4862
P1785
P2692
Atom HE of residue 74
THR
P5395
P2872
P5253
P6733
P1624
P64
P4932
GeneralizedGuinierPorodFunction 31
Atom HA of residue 51
P8455
P8147
P7926
ListSingletonContainer394
P6113
P7117
P3068
P6205
P7305
P1952
P3543
P4643
P5464
P4937
P3871
P10426
P2070
P4094
Atom HD12 of residue 56
P4776
P11674
P4
P5082
P7446
P6807
P5903
P6814
P1740
Atom C of residue 9
P12465
P5895
P2789
P8445
P6879
P8005
P6966
P2268
Atom HB of residue 30
P7436
Atom N of residue 8
P5159
LYS
P5625
P7766
P4675
P5473
P4186
P8070
P6182
P3962
P1706
Atom N of residue 60
P2078
P4635
P2664
P2964
Atom CB of residue 27
P116
P6217
P4667
P6048
ListSingletonContainer238
P7999
P2494
P3805
P1399
P1786
P4933
P8148
P3081
P7413
Atom HB2 of residue 51
P8456
P2693
P1937
P2091
P1774
P5396
P2873
P5254
P5121
P8148
P8204
P6808
P3744
P3544
Atom CG1 of residue 92
P2
P4983
Atom HG13 of residue 17
P10427
P1341
P4868
P5896
Atom HD13 of residue 56
P3069
P6206
P6734
P7927
P7306
P1625
P4644
P5465
P7118
P5904
Atom HG3 of residue 40
P4095
LYS
P1678
P12466
Atom HB3 of residue 69
P4777
Atom H of residue 67
P1402
Restraint 104
P5083
P2790
P6114
P4676
P3872
P6880
P6815
P8006
P6967
P5160
P7447
P5626
P7767
P1347
P2269
P5474
P7437
P4187
LEU
P2163
P6183
P8446
P2079
P4636
P2665
P2965
P11675
P6218
P4668
P8071
P1792
LYS
ASN
P3806
P3963
P1707
P264
P8000
P3082
P7414
Atom N of residue 52
Atom HD1 of residue 59
P1320
P2495
P2694
Atom C of residue 3
P6
P5397
P1403
P8149
P5255
P6049
P5122
P8149
P8205
P7307
P3745
P3545
P1938
P1349
P6115
P4677
P10428
P4869
P1775
P5897
P117
P2874
P4822
P3070
P6207
P2092
P8457
P7928
Atom CG2 of residue 92
P6809
P4645
P5466
P3873
Atom HG21 of residue 17
P5905
P1679
P7448
P7702
Atom HD21 of residue 56
P7119
P4778
P6735
P1626
P4935
P2081
P6816
Atom HG of residue 69
P2099
P2791
P6881
P4096
P11676
P5084
P4188
P1822
P12467
P8447
P7438
P5161
P8007
P5627
P6968
Atom HE3 of residue 1
Atom HE22 of residue 40
P5475
P8072
P6184
Atom HG23 of residue 17
P2666
P2270
Atom C of residue 96
P1703
P6219
P4669
Atom CA of residue 12
P3807
P3964
P8150
P3083
P4637
P2966
P1350
P8001
P5398
P1392
P114
P2875
P2080
P3071
P5256
P6050
P5216
P8458
P8150
P8206
P265
P3546
P1939
P2
Atom HZ of residue 45
P2496
P2695
P4678
P7415
P10429
P7
Atom CA of residue 52
P1669
P7929
P4823
P6208
P6736
Atom HH of residue 59
P3746
P4646
P5467
Atom HG23 of residue 3
P3874
P5906
P8194
P4863
P1329
P5898
P7308
P7703
P6116
P4779
P2093
P6810
P7120
P4936
P2077
P2792
Atom O of residue 71
P6882
P11677
P7449
P4189
Atom CA of residue 8
P1772
P12468
P5085
Atom HD11 of residue 69
P4088
P5162
P5628
P6817
P8008
P5476
P1393
P1627
P6969
Atom HG2 of residue 18
P1742
P6185
P3965
P2271
P7439
P6220
P4670
Atom CD of residue 96
Atom N of residue 18
P8448
P3076
Model 404
P5217
Atom C of residue 33
P5899
P1704
P3084
P4638
P2667
P2967
P8073
P9
P2697
Atom H of residue 3
P5399
Atom N of residue 46
P8002
P2876
P2081
P5257
Atom HZ1 of residue 11
P3808
P8207
Atom CA of residue 60
P3747
P3547
P4872
P8195
P4679
P8151
Atom HB2 of residue 19
P7416
P6051
P7930
P6209
P1940
von Mises sufficient 15
P6811
P266
P4647
P5468
P3875
P4864
P1670
P8151
P7704
P2497
Model 332
P4780
Atom C of residue 52
P6818
P8459
P4824
P10430
Covariance1DFunction 83
ListSingletonContainer239
P2793
P6117
P2696
P7121
P6883
P2094
P6737
P1508
P7309
P1394
P7440
P4190
P5907
P2127
Atom CB of residue 71
P11678
P5163
P5086
P7450
P5629
P3
Atom HE1 of residue 59
P12469
Atom HD12 of residue 69
P5477
P8449
P6186
P1776
P8009
Atom CA of residue 20
Atom HD1 of residue 45
P6970
P3152
P4639
P2668
P2968
P2272
P6221
P4671
Atom HZ of residue 4
ListSingletonContainer395
P8152
P3966
P5900
P1628
P3085
P8074
Atom CE of residue 96
Model 273
P11
P5400
P1705
P2877
P5258
P6052
P2066
Atom HZ2 of residue 11
P3809
P8208
P8003
P3548
P4873
P1509
P3748
Atom CG of residue 11
P5126
P6738
P11679
P6210
P4648
P5469
Atom OG1 of residue 22
P7417
P4865
P8152
P7931
P7310
P7705
Atom HG23 of residue 61
P6118
P2498
P4680
P2082
P4781
P1941
Atom HE2 of residue 59
Atom C of residue 22
P4825
P10431
P1671
ListSingletonContainer450
P2794
P3876
P6884
Atom N of residue 24
P2095
P7451
P1395
P6812
P7122
P4191
P5908
P6819
P12470
Atom HB3 of residue 11
GLU
ASP
P5164
Atom C of residue 47
P5630
P1777
P5087
P5478
Covariance1DFunction 16
P7441
P6187
P4640
P2669
P2969
P8010
P1510
Atom O of residue 9
P6971
P6222
P4672
Atom HG13 of residue 5
P2389
P3810
ListSingletonContainer237
P3967
P5901
Atom CG of residue 71
P1629
P3086
P8450
P3749
P3074
P7932
P5401
P267
P2878
P8153
P5259
P8075
P2273
P8209
Atom CB of residue 3
LEU
P4874
Atom HD11 of residue 61
P8004
P4681
P7418
P5127
Atom HG2 of residue 51
P6813
P119
P8284
P6211
P2067
P7311
P3549
P4653
P2698
P5470
Atom HD2 of residue 11
P3877
P6053
P4866
P1396
P7706
P2083
P4782
P6739
P11680
P1778
ListSingletonContainer451
P1713
P4826
P1672
P8153
P1942
P6885
P8
Atom HG23 of residue 3
Atom O of residue 47
P2499
P4192
P10432
P6119
P7123
P2096
P5165
P1501
P5631
P2795
P5909
P6820
P5479
Atom H of residue 41
P6188
Model 385
P5088
P7452
P4641
P2670
P2970
P12471
P1404
P8451
P7442
P6223
P4673
P8011
P1718
P6972
P3811
P3968
P5902
P3087
GLU
ASN
P8076
ListSingletonContainer242
P3754
Atom C of residue 25
P6054
Atom HB3 of residue 51
P2390
THR
P5402
P1630
P268
P2879
P5260
P2274
OptimizerState 2
Atom C of residue 71
P4875
PairPredicate 9
Atom CD1 of residue 71
P8154
P5128
P7933
P8005
P6212
P2068
Atom HB2 of residue 42
P1411
Atom HG12 of residue 30
P1330
P6120
P3550
P4654
P2699
P5471
P4867
P8154
P7707
P4682
P2813
P4783
P6814
P4827
P7419
P10433
P1673
P1502
P7453
P3878
P6886
P6740
P11681
Atom CA of residue 47
P4193
P8285
Atom HA of residue 41
P5910
P6821
P17
P1943
Atom CG of residue 6
P5632
P2796
P3750
P6224
P7124
P2084
Atom C of residue 98
P5480
P7443
P2500
P2097
P6189
P7312
P4642
P2671
P2971
P5166
P12472
P5089
P4674
P1779
P5261
P3812
P3969
P8012
Atom HG22 of residue 9
P6973
P3088
P18
P5903
P5403
ListSingletonContainer396
P270
P2880
P8155
P8452
Atom O of residue 71
Atom O of residue 25
P7420
P4876
P1631
P4683
P6055
Atom CA of residue 24
P8077
P5129
P2391
P1412
P6213
Atom HE3 of residue 33
P1503
Atom CA of residue 55
P1708
Atom HD13 of residue 61
P8006
P3551
P2700
P5472
P3879
P4936
P7934
P7708
P2814
P8286
P4784
P2275
P6741
P11682
Atom HG13 of residue 30
P4651
P4828
P2797
P6121
P6887
ListSingletonContainer251
P6815
P4194
P8155
P7313
P1944
P5167
P1674
P7454
P5633
P120
P6225
Atom N of residue 71
P2085
Atom HB2 of residue 41
P4675
Atom C of residue 24
P10434
P5481
P7125
Atom C of residue 106
P6190
P3970
P1780
P4643
P2972
P5911
P6822
Atom O of residue 98
P3751
P2098
P5090
P271
P2501
P0
P5262
P3813
P12473
P1504
P5904
P8453
P7444
P3089
P2672
P8013
P6974
P8212
P5404
P2881
Atom HZ1 of residue 33
Atom HE1 of residue 68
P4877
P4937
P8078
P5130
P36
P7935
Atom CG2 of residue 61
P6214
P2078
Atom HG3 of residue 51
P7314
Atom O of residue 68
P1632
P3552
P2701
P5473
P8156
P7421
P3880
P6056
P7709
P8007
P4684
P2815
P2392
P1401
P6816
P4652
P4829
P2798
Atom CA of residue 71
P6888
P5912
P2276
P6823
P0
P4195
P4785
P1505
P6122
Atom HZ1 of residue 27
P1945
Atom OG1 of residue 7
P6742
P11683
P8156
Atom HH22 of residue 54
P5634
P7445
P3752
P8287
Atom O of residue 24
P5482
P2080
P6191
P7455
P7126
P4644
P2673
P2973
P5168
P12474
P6226
P4676
P1410
P3814
P1675
P3971
P8213
Atom CB of residue 112
P5091
P5905
Atom HB of residue 17
P2086
P3090
P2099
Atom CD2 of residue 68
P8157
P8014
P5405
P2502
P6975
P2882
P5263
P10435
P1338
P4878
P7315
Atom H of residue 7
P6057
P5131
P8454
Atom HG12 of residue 70
P6215
P78
P1633
P269
P2702
P5474
P3881
P8079
P6743
P11684
P1513
P7710
P3553
P4685
P2816
P8008
P4830
P7422
Atom HG22 of residue 36
P4934
P7936
P2805
P6123
P8288
P6889
Atom C of residue 8
P3753
P3601
Model 370
P4196
P4786
P2393
Atom HZ2 of residue 27
Covariance1DFunction 69
Model 291
P7456
P5635
P6817
P4677
P5913
P6824
P8157
P5483
Atom HD2 of residue 6
P2277
P6192
P4645
P2674
P2974
P10436
Atom CE1 of residue 68
P7446
P6227
P7127
Atom HB2 of residue 51
Atom CG of residue 34
P4195
P118
P1946
P2071
P1676
P3972
Atom CG of residue 112
P5906
P2087
P3091
P2100
P5169
P5092
P12475
P5406
P8455
P2883
P5264
P3815
P8015
P1520
P6976
P4879
P4935
P7937
P7316
P8158
Atom CA of residue 23
Atom CB of residue 24
P8080
P5132
Atom CB of residue 8
P2503
P6216
P1634
P2703
P5475
P7423
P3882
P8233
LEU
P6818
P7711
P1433
P3554
P4686
P2817
P4787
Atom O of residue 18
P272
P4831
Atom HG23 of residue 36
P6058
ListSingletonContainer261
Atom HB3 of residue 51
P5636
P2808
P8009
P1600
P6744
P11685
P4197
P4678
P5484
P6124
P3602
P6193
P8158
Atom CA of residue 113
Atom CA of residue 22
P8289
P4646
P2809
P2975
P5914
P10437
P6825
P5170
P1681
P6228
von Mises sufficient 10
P6890
P7457
P7128
P1947
P2072
Multivariate Normal distribution 47
P3973
P2394
P7447
P3092
P8232
P2101
P2278
P1434
P4196
P12476
P5093
P5407
P3755
P2884
P5265
P3816
P4880
P6059
P8016
P1511
P5907
Atom NE2 of residue 68
P6977
Atom HB of residue 5
Atom CG of residue 24
P5133
Atom CG of residue 8
Atom N of residue 72
P2088
P6217
P3555
P2704
P5476
P8159
P3883
P4870
P7938
Atom HE22 of residue 49
P8456
P7712
P2504
P4687
P2818
P4788
P2803
P274
P1601
P4832
P8235
P8081
Atom O of residue 5
Atom HD11 of residue 36
P5637
P6819
ListSingletonContainer397
P8010
P3603
P4198
P7424
Atom HD11 of residue 36
P7458
P1635
P8290
P6745
P11686
P7317
P1435
P6891
P5915
P6826
ListSingletonContainer252
P5485
P1682
P6194
P3974
P4109
Atom HA of residue 63
P4647
P2810
P2976
P8159
P1512
P7448
P6229
P10438
P2073
P3817
P6125
P7129
P3093
GaussianProcessInterpolation53
P8236
P2279
P5171
Atom CG1 of residue 36
P5408
P2885
P5266
P5094
P121
P3556
P4881
Atom OE1 of residue 51
Atom HD21 of residue 8
P12477
P5908
P8457
P4688
P8160
P1948
P5134
P4871
P8017
Atom C of residue 72
P3756
P3604
P6978
P7425
P6218
P2102
P2705
P5477
P3884
P4679
P6060
Atom O of residue 8
P2395
P7713
P2089
P2819
P4789
P10439
ListSingletonContainer244
P2804
P4833
Atom OE1 of residue 24
P8082
P7939
P5638
P7318
P8234
P6746
P11687
P2505
P4199
Atom HG2 of residue 6
P1636
P8011
Atom HB2 of residue 63
P1460
P6820
P1597
P6892
Atom CG of residue 56
P5486
P6195
P3975
P4110
P7459
P1428
P6126
P4648
P2977
P5172
P6230
Atom HE3 of residue 6
P8160
Atom CA of residue 5
P2818
P275
P8291
P2806
P5916
P2074
P0
P3818
P6827
P3095
P37
P7130
P5409
Atom HE21 of residue 2
P7449
P2886
P5267
Atom CD1 of residue 43
P3557
P4882
P12478
PairPredicate 1
P1949
P5135
P2280
P4872
Atom O of residue 72
P3757
P6219
P2103
P8018
P5909
Atom HG3 of residue 49
P122
P3605
P2706
P6979
P5478
P3885
P7940
P7319
P7714
P4689
P2090
P2820
P4790
P10440
P4834
P8161
Atom HB2 of residue 11
P3094
P7426
P6061
P2396
Atom CG2 of residue 36
P5639
P8458
Atom CD1 of residue 56
P22
P6821
P4200
P8083
P1429
Atom CG of residue 16
P4680
P5917
P6828
P8012
P5173
P1680
P5487
P6127
P2506
Atom HB3 of residue 63
P8292
P6747
P11688
P6196
P4111
P7450
P4653
P2978
P2334
Atom H of residue 35
P6231
P6893
P7460
P2819
P1637
P276
P1598
P2807
Atom H of residue 35
Atom OE2 of residue 24
P2075
P3819
P3976
P8161
Atom HD13 of residue 13
P5410
Atom HD2 of residue 45
P2887
P7131
P5268
P3606
P8162
P4883
P10
P5910
P4690
P5136
P4873
P6913
P3758
Atom HB3 of residue 11
P6220
ALA
P12479
P2051
P8459
P2707
P5479
P3886
P6062
P2285
P8019
P7320
P7715
P182
P6980
P2821
P4791
P10441
P1439
P4835
P4681
P8084
P6748
P11689
Atom CD2 of residue 71
P5640
P1950
P4201
P7427
P2104
Atom HA2 of residue 35
Atom CD2 of residue 43
P7941
P2847
Model 381
Atom OE1 of residue 16
ListSingletonContainer243
P6914
P5174
P5488
P6128
P8013
P6197
P3977
P4112
Atom HG23 of residue 13
P6822
P3558
P2091
P4654
P2979
P5918
P6829
P273
P2507
P6232
Atom HG2 of residue 63
P6894
Atom CD2 of residue 56
P2397
P1440
Atom HA2 of residue 35
P2076
P3820
P7451
P3097
P8162
P1599
P8293
P5411
P3759
P2888
P5269
P1
P7461
P1638
P3607
P7132
P3059
P4884
P4682
Atom HB3 of residue 4
P12480
P7321
Atom CA of residue 46
P5137
P4874
P19
Atom H of residue 71
P6221
P8310
Atom CD of residue 24
P7942
P2708
P5480
P8163
P3887
P7716
P4691
P2822
P4792
Atom N of residue 14
P10442
P8020
P5911
Atom HG21 of residue 61
P6981
P3096
P7428
Atom CG2 of residue 58
P5641
P2849
Atom HD21 of residue 71
P6823
P1441
P4202
P2105
Atom H of residue 43
Atom HD11 of residue 13
P8460
Atom CB of residue 24
P1951
P6749
P11690
Atom CA of residue 56
P8085
P5179
P20
Atom CB of residue 4
P5489
Model 150
ListSingletonContainer429
P6198
P4113
P8014
P8513
Model 422
P4846
P2980
P2398
P143
P6129
P6233
P8294
P6895
Atom H of residue 56
P4870
P4651
GaussianProcessInterpolationRestraint 21
P6063
P5919
P6830
P3978
P3559
P3072
P7462
P2508
P2092
P6916
Atom HD1 of residue 4
P8163
P5412
P7452
P3760
P2889
P5270
P3821
P5912
P3608
P4885
P2282
P7322
P4692
P7133
P5138
P4875
Atom O of residue 35
P6222
P4683
Atom O of residue 5
P3
Atom OG1 of residue 55
Atom CA of residue 72
P2709
P5481
P3888
P5175
Atom C of residue 67
Atom HD22 of residue 71
P1639
P7717
P1602
P2823
P4793
P6064
P12481
Atom HB3 of residue 45
P8461
P8164
P7943
P8021
P5642
P6982
P10443
P2088
P12
Atom HG22 of residue 61
MovedSingletonContainer7
P1436
P4203
Atom NE of residue 73
P4847
P6824
P7429
P8086
P5490
Atom CG of residue 24
P8311
P6750
P11691
P6199
P4114
P4871
Atom C of residue 56
P3560
P2981
P5920
P6831
P8015
P6234
P2811
P1952
P6896
P2106
P6917
P2399
Atom HA of residue 71
P6130
P4652
P3822
P2676
P3979
P7453
P3098
ListSingletonContainer240
P7463
Atom CD2 of residue 56
P144
Atom C of residue 26
P5413
P3761
P8514
P1603
P2890
P5271
P4684
P8164
P3609
P2093
P8295
P4886
Atom CB of residue 4
P7323
P1437
P4693
P5139
P4876
Atom O of residue 67
LYS
P2820
P6223
P5913
P2710
P5482
P8165
P3889
P7718
ListSingletonContainer412
P2509
P7430
P2824
P4794
P6066
P10444
Atom HA of residue 4
Atom CZ of residue 73
P12482
Atom CB of residue 19
P0
P2
P5643
Atom HE of residue 72
P1640
P5176
P8022
ScoreState 10
P6983
P4838
P8312
P21
P7944
P7134
Atom CB of residue 6
P6751
P11692
Atom HG23 of residue 61
P1438
P3601
Atom CB of residue 52
Atom HB2 of residue 71
P5491
P8462
P4204
P2812
P6200
P3980
P4115
Atom CG2 of residue 55
P6825
P2982
P8087
P2677
P6915
Atom H of residue 56
P3561
P6235
P6897
P2082
P8016
P8515
P3823
Atom O of residue 26
P149
P6131
P8296
P2107
P4853
P5921
P6832
P2400
P5414
LEU
P136
P2891
P6224
P5272
P4685
P1953
Atom HB2 of residue 4
P13
P7464
P3610
Atom HB3 of residue 4
P3099
P4887
P8165
Atom N of residue 18
P7324
Atom C of residue 1
P7454
P0
P5140
P4877
Atom CG of residue 67
P3762
P2094
P2711
P5483
P7135
P3890
Atom CG of residue 19
P5177
P7719
P4694
P2825
P2801
P4795
P6067
P10445
Atom C of residue 55
P5914
P2821
P7945
P1641
P1604
P12483
P8463
P2510
P4839
P8166
P7431
P3602
P14
P8023
P6984
Atom CG of residue 6
Atom HG13 of residue 44
P5644
Atom HH12 of residue 72
P6826
P3562
P2083
P7465
P5492
P4205
P5922
P6833
P6201
P4116
Atom HD11 of residue 61
Atom O of residue 3
P2983
P8088
P6236
P8313
P6898
P6752
P11693
P1
P7455
P4686
Atom HA of residue 2
P3828
Atom CG1 of residue 3
P3981
P8017
P6918
P6132
P2655
ListSingletonContainer241
P2401
P5415
P2892
P6225
P5273
Atom CB of residue 56
Atom HG2 of residue 19
PairsRestraint 9
P3611
P3100
P4888
P7325
P4854
P125
P137
P8516
P1954
Atom CB of residue 100
P2108
P5141
P4878
P5178
P8166
P3763
P3563
P8167
P2095
Atom HE2 of residue 27
P5915
P2712
P5484
P7136
P3891
ListSingletonContainer452
P7720
Atom CB of residue 51
P4695
P2826
P2802
P4796
P10446
P12484
P3
GaussianProcessInterpolation67
P5645
P1319
P6065
P4840
P4206
P3824
P6753
P11694
P1642
P15
P6985
P7432
P8314
P7946
P7466
P5493
P2822
P2511
P3603
P6202
P3982
P4117
Atom HG21 of residue 44
Atom HH21 of residue 72
P1988
P8361
Atom H of residue 27
P2984
Atom HD3 of residue 54
P8464
P6237
P4687
P6899
P6919
P6827
P5923
Atom O of residue 81
P8089
P0
P1322
P3101
P8024
P8018
P8517
P2656
P5416
P6133
P7456
P2893
P5274
P16
Atom HG2 of residue 31
P2402
Atom N of residue 58
P3612
Atom CG of residue 1
P4889
P7326
P5142
P4879
Atom CG of residue 56
Atom HG3 of residue 19
P3764
P3564
P8362
P6226
P6834
P8167
P138
P2713
P5485
P3892
P1955
Atom HG2 of residue 74
Atom OG of residue 100
P4
P4855
P7721
P4696
P2096
P2828
P4797
P7947
P2
P8168
P7137
P2109
P5646
phys
Atom CG of residue 51
P2681
P6068
P5916
P4841
P4207
P7433
P3604
P39
Atom N of residue 67
P6828
P10447
Atom HH12 of residue 54
P12485
P8465
GaussianProcessInterpolationRestraint 10
P6920
P8025
P2340
Atom HH21 of residue 72
P7467
P5494
P1643
P6986
P3825
P6754
P11695
P5180
P6203
P3983
P4118
P1998
Atom N of residue 44
P2985
P8090
P2823
P6238
P2827
P4688
P6900
Atom HG22 of residue 44
P2512
Model 333
P7138
Atom CB of residue 81
P3102
P8315
P5924
P2657
P6835
P5417
P124
P8019
P2894
P8363
P5275
P6134
P3613
P4890
P7327
P7457
Multivariate Normal distribution 21
P5143
P4880
Atom HG3 of residue 31
P5917
ASP
P3765
P3565
P6227
P2403
P8518
P2714
P5486
P3893
P1956
Model 274
P8168
P4856
P7722
P4697
P2
P4798
P6069
P139
Atom HG3 of residue 74
Atom HH21 of residue 54
Atom O of residue 22
P5647
P2097
P2682
Atom HH22 of residue 72
P4842
P8169
P4208
P3605
P3826
P2110
P7948
ILE
P10448
P12486
P1344
P4689
P6921
P8026
P7468
P5495
P5181
P41
P6204
P3984
P4119
P6829
P6987
P7434
P8316
P2986
P1644
P6239
P1963
P6901
P6755
P11696
P5418
P7139
Restraint 170
P5925
P8466
Atom CD of residue 51
Atom HB of residue 14
P3
P8091
P2658
P6836
P2824
P7458
P3766
P2513
P2895
Atom CD of residue 40
P5276
P8020
P3614
P8519
P3103
P7328
P6135
P4698
P5144
P4881
P3566
P6228
P1343
Atom HH22 of residue 54
P2404
P2715
P5487
Atom N of residue 73
P4857
P7723
P8364
P4799
P8169
P5918
P8170
P1957
P5648
P1458
Atom CA of residue 58
P7435
P2683
P4891
P3895
Atom CG of residue 19
P2336
P140
P4843
P4209
P3606
Atom CE of residue 13
Atom HD13 of residue 8
P2111
P2098
P3
P6070
P3827
Atom HE of residue 42
P2829
P7949
Atom HB3 of residue 52
P5496
P1346
P10449
P6756
P11697
P6205
P3985
P4120
P12487
P8467
Atom CD of residue 31
P2987
P38
P8027
P7469
P6988
P6240
P1964
P4690
P6902
P5419
P6830
ListSingletonContainer400
P7140
Atom O of residue 7
P5182
Atom C of residue 57
P1459
P1645
P3104
P3894
Atom CD2 of residue 56
Atom HE2 of residue 11
P8092
P2659
P2896
P8299
P5277
P8317
P6922
Model 85
P5926
P6837
Restraint 168
P7329
Atom C of residue 58
P8021
Atom CD2 of residue 8
GaussianProcessInterpolation9
Atom NE2 of residue 40
P5145
P4882
Restraint 105
P6136
P3767
P2514
P6229
P8028
P2825
P7459
P3615
P2716
P5488
P4892
P6071
P4858
P7724
P4699
P4800
P1460
P3567
P8520
P8170
LEU
P5649
P127
P2684
Atom H of residue 11
Atom N of residue 53
P5919
P145
P4844
P4210
P3607
P1958
P7950
Atom HG22 of residue 36
Atom OE1 of residue 31
P10450
P12488
P8171
P7436
Atom CG of residue 40
P2112
P7470
P5497
P2099
P6838
P6206
P3986
P4121
P6831
P2988
P6923
Atom O of residue 1
P6241
P2830
P4691
P6903
P5927
P2337
P1467
P6989
P7141
P8300
P8318
Atom HA3 of residue 10
P5183
P2405
P1646
Atom CG of residue 97
P3829
P6757
P11698
P7460
Atom HD3 of residue 74
P2660
Atom N of residue 55
P5420
P0
P8468
P2897
P5278
P3616
P1965
P3105
P8093
Atom CA of residue 73
P7330
P4700
ASN
P5146
P4883
P8022
P3768
P3568
P8521
P6230
P1
P8029
P2826
P6137
P2717
P5489
P4893
Atom HG of residue 67
Atom O of residue 53
P4859
P7725
P8172
P4801
Atom HB of residue 3
P5920
P2515
P8301
ListSingletonContainer253
P2359
P5650
Atom HD11 of residue 36
P2685
P6072
P2406
P8171
P4850
P4211
Atom CB of residue 18
P1453
P0
Atom N of residue 11
P2831
P3896
P1959
P0
P6758
P11699
P7471
P5498
P2100
P6839
P5184
P6207
P4122
Atom H of residue 30
P1205
P7437
P2989
P2113
P6925
P7951
P6242
P4692
P6904
Atom HE of residue 74
P10451
P12489
P8469
P3608
P3987
P1647
P146
P6990
P3106
P3830
P6832
Atom OG1 of residue 69
P7142
Atom C of residue 8
P5928
P8094
P2661
P42
Atom H of residue 53
P5421
P1587
P2898
P1444
P5279
Atom CD of residue 97
P1966
THR
P7331
Multivariate Normal distribution 10
P8319
P5147
P4884
Atom CG2 of residue 98
P3769
P3569
P6231
Atom CB of residue 3
P8030
P8023
P3617
P2718
P5490
SER
P4860
P7726
P6138
P4701
P4802
P1454
P4851
P1607
P2360
P5651
P2686
P4894
Atom HD12 of residue 67
P7952
P1735
P2827
P7461
P8522
P8173
P4212
P2407
P8172
P2516
P6073
P5921
P142
P7438
P2832
P4693
P7472
P5499
P1
P6833
P126
P2101
P6840
P5185
P6208
P4123
Atom HD12 of residue 30
P3897
P1960
P6926
P6243
P6905
ScoreState 35
P6759
P11700
P12490
P7143
P10452
P2114
P3988
P3107
P2990
P3831
Atom HG21 of residue 36
P6991
P8320
P2662
P5422
P2899
P5280
P1589
P3618
P4
Atom CD2 of residue 15
P5929
P7332
P4990
P8470
P1441
P3609
P4885
Atom CD1 of residue 98
P1455
P1648
P3770
P6232
P8095
P8031
Atom HA of residue 30
P7462
P2719
P5491
Atom HH11 of residue 74
Atom HD13 of residue 67
P5922
P4861
P7727
P8523
P4702
P4803
Atom CG of residue 32
P1736
P6139
P3570
P1967
P5652
P2828
P4848
P8302
P2687
P4895
P6074
P43
P4213
Atom CA of residue 100
P5148
P3898
P2
P1608
P8173
P4991
P8174
P2833
P4694
P7953
P1749
P5500
P1463
P8024
P2517
ScoreState 21
P6841
P5186
P6209
P2408
P4124
Atom HD2 of residue 27
P1961
P2343
P6244
P6906
Atom HB3 of residue 67
Atom HD23 of residue 73
P7144
P7439
P6924
Atom CA of residue 55
P3989
P7473
P3108
P2991
P10453
P3832
P6760
P11701
P12491
P8471
P1446
P2102
P8303
P5930
P2115
P2663
P5423
P6992
P2900
P5281
P4992
P3619
Atom HH12 of residue 74
P40
P7333
P4703
P4886
ListSingletonContainer453
P6834
P1649
P3771
P4595
P6233
Atom H of residue 15
P8096
P89
P7463
P2720
P5492
P3610
P3899
P8321
P4862
P7728
ListSingletonContainer401
P4804
P5149
P8032
P1737
P1583
P8025
P5653
P1468
P6140
P4849
P2688
P4896
P5923
P8175
P1968
P4214
P1756
P2829
Atom HD3 of residue 27
P7440
P8524
P2834
P4695
P6907
Atom C of residue 78
P8174
P5501
Atom C of residue 83
Atom CA of residue 74
P6075
Atom C of residue 55
P5187
P6210
Atom OD1 of residue 32
P4125
P8304
P2992
P1962
P7954
P6245
P6761
P6842
P11702
P12492
P2518
P7145
P1603
P3990
P2409
P2342
P7474
P3109
P3833
P6835
P1448
P2103
P3611
P10454
P2116
P2664
P5424
P2901
P5282
P6927
P1469
P4993
P6993
P8322
ListSingletonContainer454
P7334
P4887
Atom CB of residue 32
P3772
P4649
P8240
P6234
Atom N of residue 35
P8033
Atom HB of residue 30
P8472
P2721
P5493
P3900
P4863
P7729
P4704
P4805
P8097
P5150
P7464
P8026
P6076
P1738
P5654
P90
P1794
P3620
P8525
P2689
P4897
P6911
ListSingletonContainer402
P6141
P4215
Atom HE3 of residue 27
Atom HH21 of residue 74
P5931
P5924
P1584
P1650
P2835
P1966
ListSingletonContainer254
P7955
P5502
P2830
P6843
P5188
P6211
P8175
P4126
Atom HD13 of residue 73
P8176
P1969
P7441
P2993
P1461
P6246
P4696
Atom O of residue 55
P8305
LEU
P3991
P3110
P3612
P3834
P6928
P1327
Atom CZ3 of residue 62
P6836
P7465
P2117
P1748
P2345
P7475
P5425
P4650
P2519
P2902
P5283
P5932
P10455
ARG
P6762
P11703
Atom NZ of residue 33
P12493
P4994
P8473
P1445
P7146
Atom HG12 of residue 30
P6994
P2665
P4888
P129
Atom CD1 of residue 23
P3773
P8242
P6235
P8098
P2
P44
P8034
P5494
P2104
P3901
P6912
P2410
P7335
P4864
P7730
P4705
P4806
GLY
P1604
P2799
P8323
Atom HH22 of residue 74
P1374
P1462
P3621
Atom HD21 of residue 73
P8177
P2690
P4898
P1461
P5925
P8027
P1999
P0
P5151
P1739
P1585
P6142
P6077
P5655
P2836
P5503
P2831
Atom CG2 of residue 23
Atom N of residue 19
Atom CB of residue 55
P6844
ListSingletonContainer256
P6212
P3992
P4127
P1757
P8526
P3613
P2994
P6763
P11704
P8176
P6247
P4349
P4697
P1651
P0
P7442
P5189
P7956
P12494
P7476
P76
P3111
P3835
P1462
Atom CA of residue 20
Atom CB of residue 17
P1791
P7466
P8028
P1970
P2666
P2344
P5426
P2520
P2903
P5284
P5934
Atom CH2 of residue 62
P4995
P6837
P7147
P10456
P7336
P128
UnaryFunction0
P4889
P6929
Atom HE2 of residue 33
P3774
P6236
P8324
P8035
P5495
P2105
P3902
P2118
P4865
P7731
P4596
P4706
P4807
P8474
P2800
P1463
P2411
P1577
P3622
Atom HD11 of residue 73
P2691
P4899
P8099
P1605
P5152
P1740
LEU
P8527
P6995
P6910
P7957
P5656
P6143
P8178
P4350
P2837
P3614
P1278
P1758
P5504
P2832
P1586
P6838
Covariance1DFunction 59
P6078
P6845
P5190
P6213
P3993
Atom H of residue 33
P4128
P5926
Atom CG1 of residue 17
P7443
P2995
P79
P6248
P8307
Atom O of residue 35
P4698
P8177
P1652
Atom N of residue 75
P6930
P1465
P3112
P3836
P6764
P11705
P7467
P8029
P5427
P2904
P5285
P1964
P5935
P1971
Atom HD21 of residue 50
P7477
P7337
P1795
P4707
P10457
Atom CG of residue 73
P2667
P4890
P12495
P2347
P4996
P8475
P3775
P2521
P7148
P6237
Atom HZ1 of residue 6
P6996
Atom CB of residue 7
P5496
P3903
P1382
P2119
P1279
P4866
P7732
P4597
P8306
P4808
P1609
P2726
P8241
Atom NE1 of residue 63
P5927
Atom O of residue 10
P3623
P4900
P2379
P8100
P8036
P8325
P5153
P2106
P6079
Atom HG21 of residue 55
P1458
P2412
P5657
P1578
P4346
P2838
P3615
P2692
P4699
THR
P1745
P5505
Atom CA of residue 69
P1590
P6839
P6144
Atom CD of residue 64
GLY
P6214
P3994
P4129
P8179
P1400
P2996
P5858
P1280
P7958
P6249
ListSingletonContainer255
P7478
P2833
P78
P1796
P8528
P5191
P8178
P3113
P3837
P6846
P1653
P7468
P8030
P7444
P8309
P2668
P5434
P2905
P5286
P1611
P6931
P6765
P11706
P4997
P7149
P7338
P4708
P5933
Atom N of residue 1
P1448
P1750
P3776
P1972
P6238
P1401
P5859
P10458
P3624
P2727
P6997
P5497
P3904
P2346
P4867
P7733
P4598
P4809
P8326
P12496
Atom C of residue 4
P2522
Atom OE2 of residue 64
Atom C of residue 43
P45
P5658
P2693
P4901
P2120
P8037
P8476
P5154
P4891
P2380
P8101
P5928
P0
P8180
P4347
P2839
P3616
P2413
P5428
P5506
P6840
P8529
P2107
P7445
P1403
P5192
P6215
P4130
P6145
P2997
P1574
P6250
P4700
P6080
Atom HG22 of residue 55
P1746
P1595
P46
P7959
Model 371
P3114
Atom CA of residue 75
P1616
P3840
P6766
P6847
P11707
P8179
Atom CD of residue 64
P1336
P8031
P2669
P1449
P7479
P0
P5287
ALA
P2169
P3995
Atom OG of residue 20
P4998
P1654
P7469
P3625
P7339
P2834
Atom N of residue 44
P4709
P5936
P2258
P6932
Atom NE2 of residue 41
Model 292
P1793
P3777
P2548
P2906
P6239
P5860
P5498
P3905
P10459
P12497
P4933
P8477
P7734
P4599
GaussianProcessInterpolation43
P1973
P7150
P4810
P2125
P4892
P6998
P3838
P5659
P8246
P8308
P2694
P4902
P8102
P2349
P5429
P2
P6081
P5155
P2523
P2382
P8038
P80
P4353
P2840
P3617
P8327
Atom C of residue 75
Atom HG23 of residue 55
P5507
P6841
P1320
P5193
P6216
P4131
P1751
P5929
P1588
P2998
P7960
P6146
P6251
P4701
GLY
P2414
P1741
P6999
P8181
P7446
P1313
P2259
Atom CA of residue 46
P1282
P3996
P1798
P2108
P3115
P7470
P8530
P8247
P2670
P1450
P8180
P4934
P1575
P2611
P5288
P5937
P6848
Atom OE1 of residue 64
P4999
P8032
P8312
P7480
P7340
P4710
Atom O of residue 106
P6767
P11708
P1655
P3778
P2907
P6240
P5861
P2835
Atom CA of residue 44
P3626
P5499
P3906
P7735
P4600
P4811
Atom HD11 of residue 43
P10460
P4893
P7151
Atom H of residue 64
P1610
P3839
P6933
P1974
P4903
P8328
P8039
P12498
P5430
Atom N of residue 1
Atom O of residue 75
P2126
P5156
ListSingletonContainer257
P8182
P2383
P2348
P5930
P5660
P8478
P4356
P2841
P8313
P3618
P2695
Atom C of residue 15
P1752
P5508
P1800
P6082
P8103
Atom O of residue 46
P5194
P6217
P4132
P2524
P4
P2999
Atom HD2 of residue 68
P6842
P8531
P6252
P4702
P1451
P6147
P7000
P6768
P11709
P1281
P3997
P1580
P3116
P6849
P7471
P8033
P7447
P2671
P2415
P7961
P7481
P3779
P2908
P5289
LYS
Atom HA of residue 55
P8181
P3627
P47
P4711
P2109
Atom HD12 of residue 43
Atom HB3 of residue 29
Atom HB3 of residue 24
Atom OE2 of residue 64
P6241
P5862
Atom H of residue 75
P5500
P4198
P1350
P3907
P5938
P6934
P3
P1656
P7736
P4601
P4812
P1284
GLN
P2836
P10461
P12499
P4937
P8479
P1975
P7152
P2696
P4904
P2124
P5436
P5157
P4894
P2256
P4351
P5661
P2842
P3619
P2381
P4703
P5509
P5000
P6843
P8104
P5199
P48
P6218
P7962
P4133
P8040
Atom N of residue 12
Atom HA3 of residue 10
P8183
P8329
P3000
P1452
P1753
P2351
P7341
P6253
P6083
Atom CB of residue 46
P1285
P1583
P7001
P7448
Atom HG2 of residue 29
P258
P6148
P2525
Covariance1DFunction 49
P3117
P3841
P7472
P8034
P4199
Atom HD13 of residue 43
P5939
P2672
P3782
P2909
P5290
P1814
P6769
P11710
P3998
P3628
P8532
P8182
P1321
P6850
P2416
P5931
P6242
P2260
P7482
P5501
P2110
P4352
P3908
P6935
Atom HG2 of residue 24
P1321
P1657
P7737
P1797
P4603
P4712
P4813
P2401
P5863
P5195
P2837
P1453
Atom HB3 of residue 60
P2697
P4905
P10462
P5673
P4983
P5001
P7153
Atom HB2 of residue 15
P5158
P4895
P1976
P8330
P12500
P5662
P7342
P2843
P4704
P5932
P5510
P6844
P3780
P6084
Atom HB of residue 55
ListSingletonContainer258
P6219
P4134
P8480
P260
P1
P4200
P3001
P8041
P4602
P6254
Atom HD21 of residue 43
P8105
P7002
P8184
ALA
Atom HA2 of residue 75
Atom CZ3 of residue 63
P6851
P3999
P7963
P1754
Atom HG21 of residue 9
P8533
P3118
Atom HG21 of residue 7
P7483
P8035
P3620
P2402
P2673
P2350
P2910
P5291
TYR
P2526
P7449
Atom CB of residue 68
P3842
P5940
P6770
P11711
P8183
P1774
P7473
P6243
P5864
P1454
Atom HD21 of residue 60
P3629
P5502
P2111
P4245
P3909
P2417
P1579
P1658
P7738
P4713
P4814
Atom HB3 of residue 15
P3
P6936
Atom O of residue 3
P5002
P2698
P4906
P10463
P1815
P5159
P4896
P5196
P12501
P4935
P8481
P7154
P5663
P5433
P7343
P2844
P1321
P4705
Atom N of residue 5
P5934
P5511
P6845
Atom OE2 of residue 34
P1977
P8106
P2261
ListSingletonContainer245
P6220
P261
P8185
P4201
P3002
P1666
P2838
P6255
P7450
P8042
P3781
P8331
P1455
P4135
P1755
P3119
Atom CG of residue 68
P6085
P4000
P7003
P3621
Atom HA3 of residue 75
P2674
P6937
P7964
P2911
P5292
P6771
P6852
P11712
P4246
Atom CA of residue 28
P3843
Atom HG22 of residue 7
P7484
P4714
P1641
Atom HG1 of residue 55
P1582
P7474
P8036
P8534
P6244
P5865
P8184
P2353
P3630
P2527
P5503
P3910
P5941
P23
P1775
P5003
P7739
Atom O of residue 51
P4815
P5197
Atom HD22 of residue 60
P2112
GaussianProcessInterpolation33
P1809
P7344
P2699
P4907
P2418
P1659
P4604
P5160
P4897
P2170
P1456
P4936
P10464
Model 275
P5664
P5674
P6256
P7155
P2845
P4706
P6086
Atom CA of residue 38
P5935
P5512
P2384
P8332
Atom OG1 of residue 55
P6221
P4137
P12502
P262
P4202
Atom CD2 of residue 68
P3003
P24
P4001
P1461
P1978
P3
Atom N of residue 75
P8482
P7004
Atom CZ of residue 72
P2262
P7965
P8043
P1760
Atom HE3 of residue 6
P6846
P3120
P8107
P3844
P8186
P7451
P3622
P2808
P6938
P2839
P8535
P2912
P5293
Atom HZ1 of residue 29
P3783
P1642
P5004
P5942
P4136
Atom N of residue 61
P133
P8037
P4222
P6245
P5866
P5198
ListSingletonContainer246
P2352
P7485
P4873
P1769
P3631
P5504
P3911
P6772
P11713
P8185
P5675
P7345
P7740
Atom CB of residue 51
P7475
Atom H of residue 34
P4715
P4816
P1457
P1462
P2528
P2700
P4908
P5513
P2113
P5161
P4898
Atom C of residue 75
Atom N of residue 97
P2334
P5665
P4605
P6257
P2846
P10465
P2419
P12503
P8483
P8187
P7156
Atom HD2 of residue 72
P2
GaussianProcessInterpolationRestraint 36
P6222
P4203
Atom CE1 of residue 68
P3004
P4002
P5933
P1660
P3623
Atom HD23 of residue 43
P4707
P6087
P25
P1467
P1668
P7005
P2809
P6847
P263
P1463
P1979
P3121
P8108
Atom C of residue 46
P8044
P1761
P8333
P6939
P6773
P11714
P2913
P5294
Atom HZ2 of residue 29
P3784
P3632
P7452
P2385
P1645
P3845
P7966
P7486
P2840
P5005
P4716
Atom CG2 of residue 55
P7476
P4223
Atom NH1 of residue 72
P6246
P4874
P1770
P134
P5505
P3912
P1477
P7346
P8038
P8536
Atom N of residue 76
P8186
P2355
P5943
LYS
P1811
Atom HZ1 of residue 48
P1670
Atom O of residue 75
GLU
P2701
P4909
P5867
P5514
P4817
P5162
P4899
P26
P5666
P4606
P2529
P2114
P4
P2420
P7741
P3624
P10466
P2356
P6223
P1759
P5437
Atom HG13 of residue 61
P0
P7157
P4204
P3005
P5200
P5936
Atom O of residue 29
P6258
P2847
P8334
P4708
P7967
P12510
P259
P7006
P8188
Atom N of residue 69
Atom OE2 of residue 16
P1661
P1980
P3122
Atom N of residue 44
P6088
GLY
P1478
P8484
P7453
P6940
Atom CA of residue 75
P4138
P8045
P6848
P2914
Atom NH2 of residue 72
P5295
P1646
P8109
P132
P3633
P5944
P3846
P2805
P1671
P7347
P2841
P8537
P4721
P6774
P11715
P8039
P4224
P6247
Atom CA of residue 97
P4875
P5506
Atom H of residue 55
Atom HZ2 of residue 48
ListSingletonContainer247
P7487
Atom HH22 of residue 74
P1455
Atom HZ of residue 45
P4003
P8187
ListSingletonContainer455
P7477
P2702
P4910
P3913
P5868
P2354
P7742
P4818
P2386
P5163
P4900
P6224
P1771
P5006
Atom HG2 of residue 54
P3785
Atom HG21 of residue 61
P5667
P4607
P2848
P5937
P5515
P1812
P5438
Atom CD2 of residue 4
P2530
P4205
P2115
P3006
P10467
P5201
P12504
Atom CB of residue 29
P8485
P6259
P4717
P7158
P4709
P6089
Atom C of residue 55
Atom HG21 of residue 23
Atom C of residue 75
P2421
P3625
Atom CG of residue 32
P6849
P1981
P3123
P8110
P3847
P1464
P8189
P7968
P4139
P1662
P1454
P2915
P5296
P2263
P27
P8046
P7488
P3634
P7007
P8335
P2806
P6941
P7348
P7478
Atom H of residue 72
P1643
Atom CA of residue 76
P4225
P7454
P6248
Linear1DFunction 34
Atom CA of residue 46
P4004
P2842
P4876
P5007
P5507
P3914
P5945
P6775
P11716
P1667
Atom HA of residue 48
P83
P4819
ILE
Atom HZ3 of residue 48
P8040
P8538
P2703
P4911
P8188
P7743
Atom O of residue 55
P5164
P4901
P6225
P1
P1772
GaussianProcessInterpolationRestraint 1
P5869
P1817
P1466
P2357
P5668
P4608
P2849
P12505
P5516
Atom HG3 of residue 54
Atom HG22 of residue 61
P1
P5439
P3786
P4206
P2116
P2387
P3007
P5202
P84
P6260
P4710
P10468
P8190
P7159
P3626
Atom HD2 of residue 33
Atom CE1 of residue 45
P28
P5938
ListSingletonContainer404
P2531
P3124
P7455
P8336
P3848
P2812
Atom HG of residue 8
P4718
Atom HA of residue 72
P6942
P4005
P2422
P4140
ListSingletonContainer456
P1663
P2916
P5297
P6090
P8486
P7008
P7969
P8047
Atom HB2 of residue 48
P7349
P6850
P8111
P6776
P11717
P1456
P0
P1982
P4226
P6249
P7489
P4877
P5009
P85
P3635
P8539
P5508
P1644
Atom C of residue 76
P2264
P7479
P4820
Atom O of residue 6
Atom OD1 of residue 32
P2843
P5946
P2704
P4912
P3915
P5870
P8041
P5165
P4902
P1672
P8189
Atom N of residue 8
P3787
P2356
P5939
P5669
P4609
Atom CA of residue 44
P4711
P5517
P7744
Atom HD3 of residue 33
ListSingletonContainer248
P6226
P5440
P4207
P2117
P3008
P6091
P5203
P1330
Atom HG23 of residue 61
P6261
P4719
P2850
Atom NH1 of residue 54
P6851
P3627
P2388
P10469
P12506
P8487
P7160
P3125
P3849
P3059
P1781
Atom CD1 of residue 56
Atom HE1 of residue 45
P6943
Atom C of residue 6
P7970
P4141
P1457
P2532
P2917
P5298
Atom N of residue 59
P2
P8191
P7456
P4006
P7350
P3788
P8112
P2423
P8048
P7009
P1983
P4227
P6250
Atom C of residue 44
P8337
Atom HB3 of residue 48
P4878
P5010
P3636
P5509
P5947
Atom HG13 of residue 5
P4821
P7490
Atom O of residue 76
P2265
P6777
P11718
P29
Atom N of residue 65
P1664
P7480
P2705
P4913
P3917
P2844
P1
Atom CE2 of residue 45
P5166
P4903
P8042
P8540
P8190
P5670
P86
P4610
Atom CB of residue 25
P2851
P4712
P1651
TYR
P5518
Atom H of residue 54
P7745
P1458
P5871
P6227
P5441
P4208
P3009
P5204
P5940
Atom HD2 of residue 54
P6262
P8192
P4720
P3628
P2389
Atom CB of residue 57
P12507
P3126
P3916
P6092
Atom HA3 of residue 76
P10470
P7161
P6944
P1669
P4142
P6852
P2918
P5299
P8338
P2810
Atom O of residue 47
P7010
P6778
P11719
P7351
P1667
P1466
P3789
Atom CA of residue 21
P8488
P2533
P4228
P7457
P6251
P1816
P30
P4007
P8049
P7491
P4879
P3637
P5510
P8113
Atom H of residue 41
P7481
Atom N of residue 7
P4822
Atom O of residue 44
Atom CZ of residue 45
P2424
Atom HG2 of residue 48
P5008
P8541
P2266
Model 151
P2706
P4914
P1984
P5948
P5167
P4904
SER
Atom HA of residue 54
P2170
P3850
P7971
P5671
P2845
P1472
P8043
P4611
P2852
P4713
P8191
P5519
P7746
P1822
P6228
P5442
P4209
Atom CG of residue 25
P3010
P5872
P5205
P6263
P1668
P3629
P2358
P5941
P3127
Atom CD of residue 125
Atom HD12 of residue 36
P8193
P2390
P10471
P4143
P12508
P2919
P7162
Atom CB of residue 44
P5300
P6093
P2811
Atom HB of residue 26
ListSingletonContainer249
P4008
P7972
P1776
Atom H of residue 47
P7458
P7352
Atom HA of residue 41
Atom CB of residue 43
P8114
P4722
P4229
P6252
P5949
P6945
P4880
P8492
P1473
P3638
P5511
P3918
P6779
P11720
P8050
P3790
P2534
P7011
P4823
P8339
Atom CA of residue 65
Atom HA of residue 7
P4198
P1647
P3851
P5677
P2846
P2707
P4915
Atom HB3 of residue 58
P7492
Atom HA of residue 36
P87
P1985
P5168
P4905
P2425
Restraint 106
Atom H of residue 36
P5011
P7482
P2801
P4612
P2853
P4714
P2267
P5520
P7747
P8044
P8542
P6229
P8192
P5443
P4210
Atom CG1 of residue 44
P3011
P5206
P4009
Atom HG3 of residue 6
P5942
Atom OD1 of residue 18
P6264
P5873
P3630
P4199
Atom HA of residue 34
Atom HG11 of residue 26
P12509
P2362
P3128
P6094
P1688
P8297
P4144
P2920
Atom NE of residue 125
P5301
P10472
Atom CB of residue 76
P7974
P8493
P1669
P7163
P2391
P7353
P3791
P8340
P3852
P7493
Atom HB of residue 36
P2537
P4723
P4230
P6253
P6946
P4881
P1464
P7483
P3639
P5512
P2120
Atom CB of residue 65
Atom CA of residue 59
P5678
Atom C of residue 47
P7459
P4824
P8051
P2850
P7012
P5950
P8115
P6780
P11721
P5012
P8298
P2708
P4916
P2802
Atom H of residue 75
P8543
LEU
Atom HD22 of residue 43
P5169
P4906
P2268
P4613
P2854
P3919
P4715
P2426
Atom HD12 of residue 36
P5521
P7748
P2535
Atom HG12 of residue 26
P31
P6230
P5444
Atom N of residue 42
P1465
P8045
P4211
P3012
P5207
P4010
P6265
ASP
P1986
P0
P1692
P2363
P1671
P88
P3631
P4200
P5874
Atom HD2 of residue 45
P3129
P3853
Multivariate Normal distribution 1
Atom HB2 of residue 34
P4145
P5943
P2921
Atom HB3 of residue 18
P7460
P5302
P7975
P3640
P5513
P10473
P12511
P7354
Atom CB of residue 7
P8489
P3792
P7164
P6095
Atom HA of residue 36
P4724
P4231
P6254
P2392
P4882
Atom OD2 of residue 48
P11722
P32
P2879
P4825
P6947
P7494
THR
P8266
Atom CG2 of residue 44
P8116
Atom HG13 of residue 26
Atom H of residue 46
P8052
P7484
P7013
P2709
P4917
P8341
Atom OE2 of residue 24
P5951
P5170
P4907
P5675
Atom O of residue 104
P1156
Atom HA2 of residue 75
Model 432
P4614
P2855
Atom CD2 of residue 38
P4716
P6781
P5522
P5013
P7749
Atom HB2 of residue 43
P2681
P2269
P6231
P5944
P5445
P4212
P3920
P3013
P5208
P8046
P8544
P6266
P1987
P2427
P2536
P3632
P4201
P6096
Atom HB of residue 7
P3130
P5875
P4011
P1693
P4146
P2361
P2922
P5303
P1323
P5514
Atom CA of residue 49
Atom HB3 of residue 34
P7355
Atom HA of residue 20
P10474
P7973
P8267
P4725
P1157
P7165
P4232
P6255
P6948
Atom HG21 of residue 26
P2848
P4883
P3641
P8342
P3854
Atom CA of residue 47
Atom N of residue 105
Atom H of residue 18
P3793
P4826
P2393
P5676
P2000
Atom CD1 of residue 44
P5952
P2710
P4918
P8053
P12512
P7495
Atom C of residue 42
P8264
Atom CD2 of residue 8
P7014
P8117
P5171
P4908
P6782
P11723
P7485
P7461
P3921
P4615
P8545
P2856
P4717
P5523
P7750
P1158
Atom C of residue 24
Atom H of residue 76
P2682
ListSingletonContainer266
P6232
Atom CA of residue 75
P5446
P5014
P4213
P3014
P5209
P4012
Atom C of residue 5
P6267
P2270
P8047
P2
P3633
P4202
Atom HG21 of residue 12
P3
Atom CD of residue 11
P5945
Atom HD22 of residue 73
P3131
Atom OE2 of residue 34
P5876
P1689
P2428
P4147
Atom H of residue 24
P2923
P6256
P5304
P6097
Atom HG22 of residue 26
Atom HD1 of residue 45
P3642
Atom N of residue 23
P3072
P7356
Atom HB2 of residue 20
Atom C of residue 46
P7976
P4726
P4233
P10475
P11724
P12513
P4884
P110
P5515
P3922
P3794
P7462
P4827
P2394
Atom HA of residue 43
P7496
P8118
P3855
P7486
P1
Atom HA of residue 73
P2711
P4919
P6949
P69
P1822
P8268
P2001
P4803
P5172
P4909
P6783
P8054
P7015
Atom HA2 of residue 76
Atom HA of residue 2
P4616
THR
P7166
P2857
P4718
P5953
P5524
P7751
P1171
Atom CD2 of residue 25
P2683
P6233
P5447
P0
P3015
Atom C of residue 99
P5210
P5015
P6268
P2271
P3634
P4203
Atom N of residue 27
P8048
P2538
P8546
P4214
P3132
P1690
P4013
Atom CZ of residue 42
P4148
P5946
P2924
P6257
P5305
P5877
ListSingletonContainer250
P7977
P2429
P3073
P1172
P6098
P6950
P4727
P4234
P3856
P4885
Atom CB of residue 5
P3643
P5516
Atom HB2 of residue 73
P3923
P10476
P7357
Atom C of residue 28
P8297
P3795
P8269
P7167
P7463
P4828
P2395
P4804
P5954
P11725
Atom O of residue 42
Atom HE2 of residue 6
Atom HH12 of residue 74
P2712
P4920
P1825
P5173
P4910
Atom NZ of residue 29
P8055
P12900
P4617
P7016
P1989
P2858
P4719
Atom O of residue 99
P8119
P6784
GLN
P5525
P7752
P109
P7487
P1160
Atom SG of residue 94
Atom O of residue 86
Atom OE2 of residue 24
P2684
LYS
P6234
P5448
P8547
P3016
P5211
P4014
Atom HZ3 of residue 27
P8298
P6269
P2272
P5016
P3635
P4204
P5947
P4215
P3133
Atom H of residue 44
Atom H of residue 34
ListSingletonContainer457
P7497
P8049
P4149
Model 334
P2925
P5306
P6099
P1691
P2539
P5878
P3857
P7358
P3796
P1162
P4805
P1826
Atom C of residue 66
P4728
P4235
P6258
P6785
P4886
Atom C of residue 23
P3644
P5517
P3924
P2430
P7978
P4097
P7168
P4829
P10477
P6951
P12902
Atom HE3 of residue 29
P7488
Atom CB of residue 86
P7498
P3060
Atom HD12 of residue 73
P7464
P2713
P4921
Atom CB of residue 1
P5955
Atom CB of residue 42
P5174
P4911
P11726
Atom N of residue 28
P91
P4618
P8270
P2859
P8120
P8056
P5526
P7753
P7017
P2685
P33
P6235
Atom HE2 of residue 29
P5449
P8266
P1990
P4216
Atom HD12 of residue 44
P3017
P5212
P6270
P1159
P4720
Atom O of residue 23
P3636
P2396
P4205
Atom HG13 of residue 5
P1456
P1827
P5017
P3134
P3858
Atom CA of residue 27
P4015
P1313
P7979
P4150
Atom HE22 of residue 31
P8050
P8548
P2926
P7465
P5307
Atom O of residue 78
Atom H of residue 24
P92
P2273
Atom CA of residue 12
P5948
P7359
P4098
P5879
Atom HG22 of residue 3
P4729
P4236
P6259
P6786
P4887
P3645
P2540
P5518
P1163
Atom HD13 of residue 73
P3925
Atom HA of residue 44
P6100
P1698
P34
P3061
P3797
P4830
P4821
P10478
P11727
P7500
P8271
P7169
P2714
P4922
P6952
P0
Atom HA of residue 52
ScoreState 1
P5175
P4912
P1457
P8278
1G6J_MODEL1.pdb
P7489
Atom O of residue 66
P4619
P2860
Atom HG13 of residue 44
P4721
P5956
P2431
P4097
P5527
P7754
Atom HG21 of residue 5
P2686
P6236
P8057
P12993
P5450
P7018
P4217
P3018
P8121
GLY
P6271
GLU
Atom CA of residue 8
P1823
P5949
P8549
P1991
P4206
P7170
P3135
P3859
P5213
P4016
Atom HG3 of residue 19
P5018
P6101
P1458
P4151
P2927
P7466
P3637
P2397
P5308
Atom CB of residue 78
Atom HB2 of residue 52
P8051
Atom HB of residue 44
Atom HG23 of residue 70
P2274
P3062
Atom O of residue 51
P3798
P7980
P4730
P4237
P6260
P5880
P6787
P4888
P3646
P5519
P3926
P4822
Atom C of residue 27
P7360
Atom H of residue 42
P4831
P6953
P8279
P7501
P93
P2541
P2715
P4923
P10479
P4098
P12514
Atom CD1 of residue 73
P5957
P5176
P4913
Atom CA of residue 35
P4620
P2861
P4722
P8122
P5528
P7755
P7490
Atom CB of residue 66
P2687
P6237
P5451
P8272
Atom HG21 of residue 44
P3019
P8058
P1725
P7019
P6272
P2432
P3
Atom CB of residue 51
P3638
P4207
P139
P7171
P4218
P3136
Atom HG12 of residue 44
Atom N of residue 71
P5214
P4017
P1824
P1992
P11728
P4152
P5950
P5019
P2928
P7467
P5309
Atom HD2 of residue 19
P3860
P3063
P8052
P3799
P8550
P6102
P0
P94
P4731
Model 372
P6261
Atom CD1 of residue 3
P6788
P4889
P3647
P5520
P3927
P4836
P5881
P1694
P7981
P7361
P2544
P4832
P2398
P8267
Atom O of residue 2
P4238
Atom HZ of residue 4
P2275
Atom C of residue 35
P2716
P4924
Atom C of residue 26
P11729
P1452
P12515
P0
Atom HG13 of residue 44
P10480
P5177
P4914
Atom O of residue 27
Atom HB3 of residue 52
P7499
ListSingletonContainer407
P7491
P8273
P6954
P4621
P2862
P1726
P5529
P7756
P3639
P2688
P6238
P5452
P3020
P5958
P4018
P2542
P6273
P4723
P8059
P7020
Atom HG22 of residue 44
P4208
P8123
P7172
P4219
P3138
P3861
P8551
P2433
P4153
P7468
P5310
LEU
P5020
Atom CA of residue 40
P3648
Atom CB of residue 2
P5215
P53
P1451
P5951
P3064
P7362
P1359
P7982
P8053
P4732
P2929
P1993
P4240
P6262
P4890
Atom HD23 of residue 50
P5521
P6103
P6955
P1828
P3800
P5882
P6789
P95
P3137
P4806
P2717
P4925
P3928
P2399
P5959
Atom O of residue 12
P11731
P12516
P4833
Multivariate Normal distribution 35
P5178
P4915
P2276
P7502
Atom HA of residue 55
P10481
P54
P4622
P1361
P2863
P4724
Model 400
Atom HA2 of residue 53
P5530
P8268
P7757
P4239
P3640
P2689
Atom CB of residue 27
P6239
P5453
P4220
P3021
P7492
P6274
Atom OD1 of residue 39
P1723
P8274
P4209
P8124
P8060
P7021
P7173
P3862
P5216
P4019
P1
P96
P2543
Atom CG of residue 50
P4154
P5952
Model 106
P5311
P1
Atom O of residue 40
P1362
P3065
P7363
P5021
Atom N of residue 51
P3801
P7469
Atom HG21 of residue 44
P6104
P2434
P4655
P4733
P2930
P6263
P6790
Atom H of residue 18
P8054
P8552
P5522
P1453
P4834
P4807
P5883
Atom CG2 of residue 23
P7983
P7503
P3649
P1994
P2718
P4926
P3929
P1310
P6956
P11787
P12517
P8269
ListSingletonContainer406
P7493
P5179
P4916
P1319
P8234
Atom OD1 of residue 27
P4891
P4623
P2864
P4725
P5960
P10482
P5531
P7758
P8275
P3641
P2400
P2690
P6240
P5454
P4
P4221
P3022
P2277
P5217
Atom HA3 of residue 53
Atom CB of residue 89
P6275
P1728
P4210
ListSingletonContainer458
P3863
P4020
P8061
Atom CB of residue 40
P7022
Atom C of residue 73
Atom HB3 of residue 46
P8125
P4155
P2931
Atom N of residue 72
P7174
P7470
P5312
Atom HB of residue 55
P8553
P4656
P3139
P1462
P7984
P3066
P7364
P3802
P1322
P5022
Atom NE2 of residue 31
P4734
P6264
P6791
ListSingletonContainer260
P5953
P5523
Atom HG22 of residue 44
P2435
P97
P8055
P4835
Atom HG12 of residue 70
P2403
P6105
P4892
P3650
P2719
P4927
P3930
P5884
Atom CD1 of residue 50
P12518
Atom O of residue 24
GLN
P4241
P5180
P4917
P2
P1995
Atom CA of residue 14
P6957
P11730
P1467
P4624
Atom HH12 of residue 72
P2865
P7504
P5532
Atom OG1 of residue 89
P7759
P7494
P3642
P4808
P10483
P2691
P6241
P5455
P3023
P5961
P5218
P4021
P8270
P6276
Atom N of residue 47
SER
P4211
P8126
Atom N of residue 54
Atom HG1 of residue 55
P7175
P3864
Atom O of residue 70
P5954
P8276
P4726
Model 276
P1358
P2278
P4156
P8062
P2545
P7023
P2932
P7471
P5313
P4657
P6106
P3067
P3803
Atom HG23 of residue 26
Atom CG1 of residue 17
P4735
P3140
P6265
Atom OD1 of residue 44
P6792
P1468
P5023
P3651
P5524
P7985
P141
Atom N of residue 32
P4836
P7505
P8056
P8554
Atom CG2 of residue 30
P4222
P2404
P4893
P2720
P4928
P1359
Atom CD2 of residue 50
P6958
P2436
P12519
P7365
P4242
P4809
P5885
P5181
P4918
P1996
P8271
P4625
P3931
P5962
Atom CB of residue 70
P5533
Atom CB of residue 24
P7760
P98
P2692
P6242
P5456
Atom HG23 of residue 44
P3024
P10484
P5219
P7495
P8277
P6277
P2866
P4730
Atom H of residue 31
P3643
P7176
GLY
P1360
P3865
P1727
Atom C of residue 17
Atom HH22 of residue 72
Atom C of residue 33
P2279
P4157
Atom HG21 of residue 55
P2933
P7472
P5314
P4212
P70
P8063
P7024
P4658
P8127
P5955
P3068
P3804
P3652
P138
Atom HG21 of residue 13
P8555
Atom CD1 of residue 30
P4736
P4223
P3141
P6266
P1459
P5525
P4727
P6107
P7366
Atom NZ of residue 6
P5024
P4243
Atom HG23 of residue 44
P1374
P4022
P7986
P8057
P2721
P4929
P3932
P6793
P12520
P4837
P4810
P5182
P4919
Atom HD11 of residue 8
P7506
Atom HD11 of residue 44
P5886
P4894
P4626
P2405
P2437
P5534
Atom HD23 of residue 8
P7761
P7496
P1997
P3644
Atom CB of residue 14
Atom HB2 of residue 1
P2693
P6959
P1460
P6243
P5457
Atom HE of residue 72
P3025
Atom HA of residue 34
P1258
Atom CG of residue 6
P6278
P2867
P10485
P1729
Atom CB of residue 44
P99
P4213
P5963
P8272
Atom CD of residue 34
P7177
P3866
Atom O of residue 17
P4158
P2934
P5315
P8278
P4659
P4728
P8128
P1361
P5220
P8064
P3069
P3805
P3653
P7025
P4248
P4737
P4224
P3142
P6267
P2280
P4023
P5956
P5526
P5095
P7473
P7987
P7367
Atom CA of residue 31
Atom H of residue 30
P4838
Atom CA of residue 105
Atom HG2 of residue 2
P1461
P5025
Atom HD11 of residue 44
P1322
Atom HA of residue 11
P6108
P6960
P2722
P4930
P6794
Atom C of residue 39
P12521
P8058
P8556
Atom HD22 of residue 15
P4811
P5183
P4920
P1730
P5964
P1375
P71
P1259
P4895
P4627
P2868
P5887
P2438
P7507
P5535
P7762
P2002
P3645
P3933
P2694
P6244
P5458
P8273
Atom OE1 of residue 34
P3026
Atom CG2 of residue 12
P6279
Atom CG1 of residue 44
Atom CD of residue 18
Atom CD of residue 114
P10486
Atom HB2 of residue 34
P8279
P3867
P5221
Atom N of residue 101
GLN
MET
Atom HD13 of residue 8
P4159
P100
P2935
P4225
P4344
Atom HA of residue 15
P5855
P4214
P1260
P4729
P5957
P3070
P7178
P8065
P7026
P4738
P3143
P6268
Atom CB of residue 125
P8129
P1376
P2281
P7497
P5527
P4660
P5120
P7474
P6109
P1364
P7368
P3806
P3654
P8557
Atom CA of residue 74
P4024
Atom HB2 of residue 15
P5026
P2723
P4931
P12522
P3934
P4839
P4820
Atom HH22 of residue 54
P5184
P4921
P7988
P7508
P8059
Atom HB2 of residue 54
P6961
P6795
Atom CA of residue 24
P4896
P4628
P2869
P5536
Atom OE2 of residue 18
P5888
P2695
P6245
P7498
P4226
P3027
P5965
Atom HG21 of residue 44
P6280
P2439
P3646
Atom NE of residue 114
Atom CB of residue 34
P5857
P4215
P1262
Atom CG of residue 125
P10487
P3868
P5222
P1365
P1731
ASP
Atom HB3 of residue 34
P4160
P8274
P2936
P4812
Atom HG of residue 8
P5459
P101
P5124
P8130
P35
P3071
Atom HG22 of residue 70
P3807
P7179
Atom HG of residue 15
P8280
P4739
P3144
P6269
P7989
P8066
P7900
P7027
P5528
P4661
P4247
P3655
P3935
P4840
P2282
P5958
P7475
Atom C of residue 24
P2724
P5060
P6796
P4025
P12523
P7369
P5027
P6110
P5185
P4922
P1272
Atom HB3 of residue 67
Atom H of residue 26
Atom HD13 of residue 44
Atom HB3 of residue 54
P1366
P4897
P8060
P4629
P8558
P2870
Atom N of residue 55
P5537
Atom OE1 of residue 18
Atom CB of residue 46
P2696
P6962
P6246
Atom HZ of residue 4
P7500
P4227
Atom NH2 of residue 125
Atom CG of residue 34
P3028
P5889
P7509
Atom CB of residue 74
P6281
P4731
Atom CD1 of residue 17
P8275
P0
P3647
P4216
P5966
P1732
P5460
P3869
P5223
P3075
LEU
P10488
P2440
P4161
P1283
P8281
P2937
P1999
Atom H of residue 39
P4813
P4026
P5959
P1695
P3808
P5829
P4740
P3145
P6270
P6111
P5529
P4662
P7180
P7476
P8067
Model 293
P7370
Atom CG2 of residue 61
P7901
P7028
P3936
P4841
P8131
Atom HG of residue 67
Atom HA of residue 26
P5096
Atom N of residue 45
P1359
P7990
P102
P8559
P2725
P5062
P2283
Atom CD2 of residue 8
P12524
P7510
P3656
P5186
P4923
P5028
P6963
Atom CG2 of residue 44
P4898
P4630
P2871
P1738
P5538
P1335
P8061
P3648
Atom HG2 of residue 54
P2698
P6797
P6247
P7501
P5967
Atom HD2 of residue 29
P6282
P4732
P5890
P4217
P5461
P4228
Atom N of residue 15
P3870
Atom HH11 of residue 54
P5224
P4027
P3151
P3029
P2122
Atom H of residue 42
P2938
P4814
P10489
P8217
P8276
P3809
P7181
P5830
P2697
P2441
P4162
GLN
Atom HD11 of residue 67
P7371
LEU
P7898
P3146
P6271
Atom CZ of residue 53
P1696
P5960
P2
Atom C of residue 74
P5530
P4663
Atom C of residue 71
P3657
P8282
P3937
P8132
P8068
P7029
P4741
P5097
P6112
P6798
P2726
P5063
P12525
P7477
P4842
P5187
P4924
P7991
P1261
P2338
P2284
Atom H of residue 8
P4899
P5029
P103
P4631
P2872
P4733
LEU
P7511
P5539
SingletonScore 11
P2092
P6248
P8062
P8560
Atom HG22 of residue 5
P5225
P4028
P6283
Atom HG3 of residue 54
P6964
P7499
PHE
P5891
Atom CD1 of residue 44
LEU
Atom HD3 of residue 29
P4229
P3030
P5968
Atom HG2 of residue 64
P1263
P2341
Atom HD12 of residue 30
ILE
P2939
P0
Atom HA of residue 39
P3649
P4815
P4218
Atom CB of residue 4
Atom HB2 of residue 67
P3074
P5462
bonded
Atom C of residue 27
P10490
P3871
P3810
P8283
P5831
P1660
P4163
P4742
P3147
P7478
P6272
DihedralSingletonScore0
P8280
P5531
P4664
P2442
Atom O of residue 71
P3658
P3938
P4843
P5961
P7899
P7182
P5098
P1
P7992
P8069
Atom CA of residue 129
P7030
P2727
P8133
P12526
P2339
Atom HB3 of residue 62
P6113
P5188
P4925
P6965
P8561
P5061
P8218
P2285
P6799
P4900
P4632
P2873
P4734
P5540
P5030
P5969
P6249
P3
P4230
Atom O of residue 51
P4029
P7512
P8281
P104
P8063
Atom HH11 of residue 72
P6284
Atom HG3 of residue 64
P7372
Atom HB3 of residue 8
P7502
P4219
Atom CA of residue 15
Model 192
P5892
P3872
Atom CG of residue 16
P5226
Atom CE3 of residue 123
P2699
Atom HG2 of residue 1
Atom H of residue 44
P4164
P2940
P3650
P4816
P66
P5463
P4665
Atom CA of residue 45
P3811
P5832
P3031
P10491
Atom HE2 of residue 6
Atom CA of residue 71
P7895
P3148
P6273
Atom CG2 of residue 12
P5962
P5532
P1661
P3659
P3939
P4844
P8134
P2813
P4743
P5099
P7479
P6114
P8219
P8284
P2728
P2443
P8070
P12527
Atom N of residue 17
P7031
Atom HG3 of residue 54
P5189
P4926
Atom C of residue 69
Atom C of residue 45
Atom CB of residue 15
P2286
UnaryFunction30
P4901
P4633
Atom HE21 of residue 62
P2874
P4735
Atom CA of residue 65
P7993
P7513
P5541
P7373
Atom O of residue 20
P6966
P6800
P6250
P2303
P5031
P7503
Covariance1DFunction 70
P5227
P4030
Atom OD1 of residue 19
Atom N of residue 42
P6285
P7183
P5066
P1317
P105
P8064
P8562
P1467
P3651
P5970
Atom HH12 of residue 72
P4231
Atom ND2 of residue 25
P5893
P2700
P4165
Atom CA of residue 69
P2941
P4817
P4221
P5464
P8277
Atom HG23 of residue 5
P3873
P2548
P3812
P5833
P3032
P7896
P3149
P6274
P10492
P8285
P5533
P4666
Atom N of residue 53
Atom H of residue 41
P3660
P4845
P7994
Atom HG1 of residue 7
P2814
Atom C of residue 3
Atom C of residue 17
P4744
P5100
Atom O of residue 45
P1662
P8220
P12528
P5963
P7184
P7480
P3940
P4220
P5190
P4927
P67
Atom HB3 of residue 64
P8071
P7032
P8135
P6801
P4902
P4634
P2875
P2729
P4736
P6115
Atom CD1 of residue 61
P2444
P5542
P7374
P1468
P3652
P6251
Model 335
P4232
P2287
P4031
P5032
P6286
P5067
P6967
P7514
Atom HB3 of residue 68
Atom CA of residue 104
P8065
Atom HD3 of residue 72
Atom HE22 of residue 62
UnaryFunction7
P3874
P1354
Atom H of residue 25
P7504
P3033
P5971
P1
P2701
P4166
P2942
P4818
P5894
P5465
Atom HB2 of residue 54
Atom CB of residue 45
P2304
P5834
Atom CD of residue 16
P5964
P7897
P106
P3150
P6275
Atom H of residue 45
Atom C of residue 21
P5534
P4667
P10493
P3813
P3661
P3941
P4846
P6116
Atom HE2 of residue 11
P2815
P4745
P5101
P7481
P1663
P5228
P2730
P12529
P7375
P7185
P5064
P5191
P4928
P7995
Atom HB3 of residue 65
P8286
P8136
P8221
P8072
P7515
P4903
P4635
P7033
P2876
P4737
P5543
P7505
P2137
P3653
P6968
P6252
Atom H of residue 6
Atom HE of residue 72
P1331
P4233
P4032
P2445
P6287
Atom CG of residue 46
CHARMMStereochemistryRestraint2
P6802
P5033
P5972
Atom H of residue 11
P8214
P3875
P2549
P8066
GaussianProcessInterpolation54
P3034
P2702
P4167
Atom CB of residue 8
P2549
P2943
P3155
P4819
P2288
Atom HE1 of residue 4
P5466
Atom O of residue 21
Atom C of residue 104
P2305
P3814
P1470
P5835
P4199
P7376
Atom OE1 of residue 41
P1333
Atom HB3 of residue 54
P6276
P4222
P5229
P65
P7860
P5535
P4668
Atom HB2 of residue 11
P3662
P4847
Atom HA of residue 45
P10494
ListSingletonContainer15
P5965
P2816
Atom HG of residue 65
P107
P8287
P4746
P5102
P5065
P2731
P5895
P12530
P3942
P6117
P5192
P4929
P6803
P8222
P4904
P4636
P7186
P7482
P2877
P4738
Atom HH12 of residue 42
P7996
P8073
P5544
P7034
P8137
P6253
P4234
P3241
Atom CG of residue 15
P4033
P7516
P6288
P1471
P1664
P2553
P7506
P3654
P5034
P3876
P6969
P2446
Atom C of residue 8
P3035
P2703
P5230
P4168
P8067
P2944
P4984
P4848
P2289
Atom CD1 of residue 3
Atom CD of residue 54
P5467
Model 309
P8215
P7187
P5973
P2306
Atom HE3 of residue 6
Atom CG of residue 45
P5836
P5896
P7377
Atom N of residue 66
P6277
Atom HB2 of residue 45
P2550
P8214
P7861
P5536
P4669
P68
P2550
P3815
P3663
P1489
P7483
P3943
P4848
P4223
P2
P4200
P2817
P4747
P5103
P10495
Atom HH21 of residue 42
P12531
P5966
P5193
P4930
P7997
P108
Atom O of residue 43
P8138
P8223
P4905
P4637
P2878
P2732
P4739
P6118
P6970
P5545
Atom HA of residue 3
P8288
Atom C of residue 15
P6804
P6254
P8074
P7035
Atom CD2 of residue 45
P5231
P4034
P6289
P5974
P3655
Atom C of residue 45
P7517
Atom HB3 of residue 51
P4235
P3877
P5035
P7507
P3036
P2704
P4169
THR
P2945
P4985
P4872
P1665
P5468
P8201
P8068
P7188
Atom C of residue 52
ListSingletonContainer459
P3154
P5837
P4224
P5897
P4201
Atom NE of residue 54
P7378
P6278
P5537
P4670
TRP
P2447
P3816
P3664
P1478
P4
P4849
Atom HB3 of residue 45
P2290
P2551
P5967
P2818
P7769
P4
P4748
P5104
Atom CD1 of residue 45
P8215
P2307
P2733
P10496
P12532
P8289
P7484
P3944
P6119
P5194
P4931
Atom CE2 of residue 4
Atom HG2 of residue 38
P8224
Atom HG3 of residue 34
P4906
P4638
P2879
P4740
P5546
Atom CB of residue 43
P6255
P4035
P7998
P8075
P7518
P7036
P6290
P8139
P6971
P6805
P6
Atom CG of residue 67
P7508
P0
P4236
P3878
Atom C of residue 5
P2551
P3037
P2705
P4170
P5036
Atom C of residue 66
Atom HG2 of residue 51
P2946
P3656
P4932
P4225
Atom CD2 of residue 69
P1666
P2552
P5469
P8202
P7189
Atom O of residue 52
P5232
Atom HD13 of residue 44
P8069
P3817
Atom CA of residue 29
P4938
P5838
P4202
Atom O of residue 39
P128
P6279
Atom O of residue 15
P5538
P4671
P1469
Atom HB3 of residue 74
P5898
P3665
P4850
P1620
P5975
P2819
P7379
GLU
P7770
P4749
P5105
SingletonScore 5
GLY
P8201
P2308
P2734
P2291
P2448
P7999
P12533
P3945
P5195
P5060
P6256
Atom CD1 of residue 59
P2552
Atom HG3 of residue 38
P8225
Atom CG of residue 54
P5968
P4907
P4639
P7485
P2880
P8140
ListSingletonContainer267
P5547
P6806
P6120
Atom H of residue 69
P5899
P4036
P8290
P6291
P4741
bonded
P8076
P7037
P3657
P4226
P10497
GaussianProcessInterpolationRestraint 22
P3879
P6972
Atom CD1 of residue 67
Atom N of residue 43
P4237
P3038
P2706
P4171
P7519
P2947
ListSingletonContainer16
P5470
P5037
P7509
P8203
P7190
P5976
P3818
P4939
P5839
P4823
P4203
P7380
P8070
P6280
P5233
P134
Atom N of residue 45
Atom HG23 of residue 3
P3333
Atom HG3 of residue 51
P5539
P4672
Atom C of residue 29
Atom HG3 of residue 74
P1667
P5969
P3666
P4851
Atom CA of residue 52
P2553
P2820
P7771
P4750
P1621
P8202
P257
Atom HB2 of residue 51
Covariance1DFunction 50
P2735
P6121
P2292
P12534
Restraint 107
P2577
P7486
P3946
P5196
P5062
P6257
Atom HD22 of residue 69
P10498
P8226
P4908
Atom CA of residue 18
P4640
P8291
P2881
P4742
Atom H of residue 35
Atom CD2 of residue 59
P2449
P8000
P5548
Atom HD2 of residue 38
P2309
P7520
Atom CA of residue 4
P5106
P5900
P1308
P4037
P7510
P6292
P6973
Atom HB3 of residue 69
P4227
P8077
P7038
P3658
P8141
P3880
P6807
P3334
Atom CD2 of residue 67
P4238
P3039
Restraint 171
P2707
P4172
P2948
P5234
P5471
Atom N of residue 52
Atom HH11 of residue 74
Atom HA of residue 69
P5977
P5038
P4940
P5840
P2554
Atom HE22 of residue 41
P4204
Atom CB of residue 69
P7191
P6281
P8204
P8071
P5540
P4673
P1311
P3819
P3667
P3947
P4852
P4824
P2821
P7381
P7772
P4751
Atom HA2 of residue 35
P1668
P8203
P2736
P12535
P5970
P2578
P2
Atom O of residue 70
P5197
P5063
Atom HD1 of residue 45
P5107
P10499
P8227
P4909
P129
P4641
P2882
P6122
P8234
P6808
P5549
Atom HE2 of residue 4
Atom HD12 of residue 44
P1618
P6258
P2310
P7487
P5901
P2293
P4038
P8001
P6293
P4743
Atom HB2 of residue 69
P2450
P4228
P7521
Atom CG of residue 69
P8292
P4239
P3659
Atom CG2 of residue 2
P3881
P5235
Atom HD11 of residue 69
P8078
P7511
P7039
P3040
P2708
P4173
P2949
P6974
Atom CG of residue 59
P5472
Atom H of residue 67
P4674
P7192
P8142
P111
P3822
P4941
P5841
P4205
P7382
P5039
Atom HA of residue 44
P6282
ILE
P5978
ASP
P8205
P5541
P1312
P8232
P12536
P8072
P4853
P4825
P1669
P2563
Atom HD2 of residue 45
P2822
P3248
P7773
P4752
Atom N of residue 34
Atom CB of residue 70
P0
P7488
P2737
P3668
P3948
P1
P5198
P5108
P8228
P8204
P5971
P4910
P4642
P2883
Atom HH21 of residue 74
Atom HB3 of residue 31
P5061
P8002
P5550
P1622
P10500
P6259
Atom O of residue 6
Atom CG1 of residue 26
P8293
P1313
P4240
P6123
P5902
P6975
P4039
P3820
P6294
P4744
P5979
Atom O of residue 61
P6809
ListSingletonContainer268
P4229
P2294
P2555
P3660
P3882
P5236
P3041
P2709
P2451
P4174
P8079
P7522
P2950
Atom HB of residue 44
P8143
P5473
P7512
P7193
P2311
P4942
P5842
P10501
P4206
P7383
P4753
Linear1DFunction 14
P6283
P3249
P5040
P2554
Atom HZ3 of residue 6
P8206
P5542
P4675
P12537
Atom HG2 of residue 41
P112
P3669
P4854
P4826
Atom CA of residue 36
Atom HB2 of residue 69
P2823
Atom CD1 of residue 69
P7774
P8073
P7040
P1316
P135
P2738
P1670
P1323
P5972
Atom CA of residue 52
GLU
Atom HD2 of residue 74
P5199
P8229
P8205
P4911
P7489
P2884
P6124
P5551
P1623
P2556
P6260
P5109
Atom HG2 of residue 31
P5237
P4040
P1380
P4643
P6295
P4745
Atom C of residue 1
P5980
Atom CA of residue 64
P1710
P4230
P5903
Atom CG1 of residue 70
P5066
P2295
P8003
P7523
P3661
P3883
P6976
P6810
P1325
P7513
P3821
P3949
P3042
P2710
P4175
P8294
P2951
Atom C of residue 36
P8080
P2312
P5474
P7041
P7194
Restraint 90
P2452
P3670
P0
Atom HG12 of residue 44
P4943
P5843
P10502
Atom CG of residue 8
P4207
P7384
Atom HA of residue 9
P6284
P8144
P1383
P3250
P2563
P8207
P5543
P4676
P5041
Atom CA of residue 48
P4855
P4827
P2824
P7775
P4754
P1317
P4241
P2557
P8074
P2739
ASP
P12538
Atom CD2 of residue 69
P113
PHE
P5200
P1671
P8230
P8206
P8004
P4912
P4644
P2885
P4746
P5552
P6261
P1387
P4
LYS
P5973
P5110
P7490
P5904
P4041
Model 152
P2555
P6296
P1
P3950
Atom CB of residue 8
P5981
P6811
P137
P8295
P1318
P4231
P5067
P1
P1376
P3662
P1655
P3884
P5238
LYS
P3043
Atom CG2 of residue 70
P2711
Atom HE2 of residue 45
P4176
P2952
P6977
P5475
P1711
P7042
Atom O of residue 36
P8081
P7524
P3671
P5844
P10503
P8145
ListSingletonContainer461
P4208
P7385
P7514
P3823
P4242
P6285
P6125
P3251
P8208
P5544
P4677
Atom C of residue 64
P2296
P2453
P2313
Atom N of residue 52
P7195
P4856
P4828
P2825
P5042
P7776
P8296
P4755
P5974
P2740
P12539
P8075
P1314
P4944
P5201
ListSingletonContainer301
P1377
P1672
P8231
P5064
P2558
P8207
ModelScoringFunction19
P4913
P4645
P7491
P2886
P5553
P1656
P6126
Atom HB2 of residue 65
P6262
P1373
P5111
P5905
VAL
P4042
P8005
P1352
P2556
P6297
Atom H of residue 67
P4747
Atom CB of residue 36
P5982
P5
P7525
Atom HE2 of residue 1
P4232
P7515
P3663
P3951
P3885
P6978
P5239
Atom C of residue 16
Multivariate Normal distribution 22
P3044
P2712
P4177
P2953
P4243
P6812
P5476
Atom CA of residue 52
P3672
P5845
P10504
P8082
P4209
P3824
P7043
P6286
MD 13
P3252
P114
P8209
P5545
P4678
P1315
P7196
P4945
P4857
P4829
P8146
P5202
P136
P2826
P7386
Atom O of residue 10
P7777
P4756
P2559
P1353
P5043
P2741
Atom HE22 of residue 2
Atom CG of residue 40
P5065
P2454
P12540
P5554
P1708
P2297
P2314
P8076
P1673
P8208
P4914
P2887
GLU
P1447
P7044
P6128
P6263
P115
P4244
P5112
P1624
P5906
P6813
P5240
P4043
P2557
Model 41
P4646
P6298
P4748
P7492
P4233
P8006
P3664
P5983
P3886
P5975
Atom O of residue 16
P3045
P2713
P4178
P7526
P2954
P1370
P3952
P5477
P7516
P4984
P1450
Atom N of residue 48
P3673
Atom HA of residue 67
P5846
P6979
P4210
P7387
P6287
P8083
P3253
P5546
P4679
P10505
P8147
Atom H of residue 30
P4946
P4858
P4830
P5203
P2827
P7778
P4
P4757
P1713
P7197
P2742
Atom CG1 of residue 36
Atom CD of residue 40
P2455
P12541
P5555
Atom HG21 of residue 9
Atom C of residue 52
Atom HB3 of residue 65
P8506
P7493
P2560
Atom CB of residue 39
P8209
Atom C of residue 92
P4915
P8077
P4647
Atom CD1 of residue 67
P2888
P3953
P2298
P2315
P3825
P7045
P9313
P6129
P6264
P5976
P4245
P5113
P1674
P5241
P4044
P1451
P8007
P2558
Atom HG2 of residue 49
P6299
P4749
P5984
P4985
P0
P5044
P6980
P3665
P1625
P3887
P6814
P1617
P1371
P3046
P5907
P2714
P72
P4179
Atom HD12 of residue 30
P2955
Atom CA of residue 24
P4234
P5478
P116
Atom HB2 of residue 74
P7527
P3674
P5847
P10506
P4211
Atom HG22 of residue 9
Atom HB2 of residue 54
P7517
P6288
P3254
P5547
P4680
P8084
P1
P7198
P4859
P4831
Atom HG of residue 65
P2828
P7388
P7779
P8507
P4758
Atom HB of residue 23
P2561
P0
P2743
Atom CG2 of residue 36
P8148
Atom CG of residue 39
P12542
P4947
P3954
P5204
Atom HA of residue 30
P1717
P5045
ASP
P1619
P4916
P4648
P1194
P1372
P2889
P2456
SingletonScore 17
P5556
P8078
P7046
P9315
P6265
P5977
P5114
P7494
P2299
P5242
P4045
P1445
P2316
P2559
P6300
P4750
P6127
P5985
P3826
Atom HB3 of residue 54
Atom HG3 of residue 49
P3666
P3888
P3047
P5908
P2715
P8008
P4180
P7528
P117
P2956
P1626
P4235
P1675
P6981
P6815
P5
P1752
P5479
P3
P7518
P4246
P1383
P5848
P10507
P4212
P7389
P8212
P6289
Atom HG2 of residue 74
Atom HG12 of residue 23
P4938
Atom N of residue 66
P3255
P5548
P4681
P1195
Atom CB of residue 32
P3675
P3955
P4860
P4832
P8085
P2829
P7780
P4759
P8149
P1446
UnaryFunction27
P2744
P12543
P4948
P5205
P2562
Atom CG1 of residue 17
P5046
P7199
P1384
P4917
P4653
P2890
P5557
P1712
P3827
P7047
P8508
P9316
P6266
P8009
P8079
P1196
P5115
P2300
P5243
P4046
P2560
P6301
P4751
P6130
P5986
ListSingletonContainer269
P2457
P5978
P7495
P2317
Atom HE21 of residue 49
P4247
P3667
Atom N of residue 61
P6816
P3048
P2716
P4181
P2957
P1385
P1676
P5480
P8213
P4236
P5909
P3889
Atom CG of residue 32
P5849
P6982
P1374
P4213
P7390
P118
P6290
P4939
P7529
P3256
P5549
P4682
Atom CB of residue 65
P7519
P3676
P1616
P1461
P3956
P4861
P1627
Atom HG3 of residue 74
P4833
Atom CG2 of residue 17
P2830
P1721
Atom HG2 of residue 54
P7781
P4760
P5979
P3828
P2745
P12544
P8509
P1387
P4949
P5206
P8212
P8150
P4918
P4654
P7200
P2891
Atom NZ of residue 27
P5558
P5047
P6131
P10512
P6267
ListSingletonContainer460
P1199
P5116
P7496
ILE
P5244
P4047
P8086
P2561
P119
P4192
P8080
P7048
P6302
P9314
P4752
P1719
Atom CA of residue 33
P2301
ListSingletonContainer270
P8010
P2318
P1
P4248
P3668
Atom CD1 of residue 36
P3890
P7530
P1462
P3049
P5910
Atom OG1 of residue 7
P2717
P2458
P4182
Atom HE22 of residue 49
P7520
P2958
P1620
P5987
P6983
P2580
P5481
P5048
P3677
P5850
P6817
P1617
P4761
P1381
P6291
P4940
P1746
P3257
P3829
P5550
P4683
P4237
P3957
P4862
P4834
P1677
P4214
P2831
P7782
P10508
P8213
P5980
P1463
P2746
ListSingletonContainer271
P8087
P12545
Atom OD1 of residue 32
Atom HG3 of residue 54
P4193
P4950
ScoreState 22
P8151
P5207
P1628
P4919
P2892
P1340
Atom HE2 of residue 27
P5559
P7049
P2173
P7201
Atom N of residue 123
P6268
P4651
P5123
P5249
P4048
P2562
P8510
P6303
P1621
P4753
P7391
P1720
Atom HB3 of residue 8
P8081
P1382
Atom N of residue 22
P6818
P2579
P4249
P3669
P6132
Atom HG13 of residue 36
P3891
P9317
P3050
P2718
P2302
P8011
P4183
P2319
P1547
P2959
P5988
P7
P5482
P4238
P10509
P1618
P7531
P5049
P120
P5851
Model 120
P2459
Atom HB3 of residue 15
P7521
P4762
P6292
P5911
Atom CB of residue 25
P4941
P3258
P1659
Atom HD1 of residue 68
P3830
P5551
P4684
P6984
P3678
P7497
P4863
Atom H of residue 74
P4835
P4215
P2833
P7783
Model 373
P5117
P2564
P5245
P5981
P2747
P1678
Atom CA of residue 69
P8088
P12546
P4951
P3958
P5208
P4193
scons: *** Error 1
isd module unit tests FAILED
Running isd module unit tests
scons: *** [modules/isd/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/example/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/example/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/example/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/example/examples/range_restriction.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/example/examples/fast-test.results.out) > /dev/null
Run example range_restriction.py ... ok

----------------------------------------------------------------------
Ran 1 test in 0.362s

OK
example examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/example/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.example --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/test_assembly.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/test_filter.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/test_modifier.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_example_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/fast-test.results.out) > /dev/null
Test getting complex assembly ... ERROR
in 6.567s ... 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

======================================================================
ERROR: Test getting complex assembly
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/modules/example/test/test_assembly.py", line 31, in test_log_targets
    10, [])
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/example/__init__.py", line 848, in optimize_assembly
    return _IMP_example.optimize_assembly(*args)
ModelException: Failure to converge


----------------------------------------------------------------------
Ran 7 tests in 7.726s

FAILED (errors=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
ClosePairContainer
P0 P1
MovedSingletonContainer1
P1
PairsRestraint 0
DynamicNearestNeighbor3D0
GridCPF
Model 0
HarmonicDistancePairScore 0
NBLInput Container 0
SoftSpherePairScore 0
P0
scons: *** Error 1
example module unit tests FAILED
Running example module unit tests
scons: *** [modules/example/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/kmeans/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/examples/kmeans_example.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/examples/fast-test.results.out) > /dev/null
Run example kmeans_example.py ... ERROR

======================================================================
ERROR: Run example kmeans_example.py
----------------------------------------------------------------------
Traceback (most recent call last):
  File "", line 5, in test_run_example
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 499, in run_example
    exec open(filename) in vars
  File "/scratch/nightly-build-21548/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:413: warning: unused parameter 'bnd_box'
modules/kmeans/src/internal/KCtree.cpp:824: warning: unused parameter 'p'
modules/kmeans/src/internal/KMdata.cpp:47: warning: unused parameter 'p'
modules/kmeans/src/internal/KMdata.cpp:54: warning: unused parameter 'p'
modules/kmeans/src/internal/KMfilterCenters.cpp:244: warning: unused parameter 'fancy'
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/kmeans/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.kmeans --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/test/test_kmeans.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_kmeans_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/kmeans/test/fast-test.results.out) > /dev/null
test_simple_kmeans (_test_1.KMeansTest) ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... FAIL
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_kmeans_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/scratch/nightly-build-21548/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 1.030s

FAILED (failures=1)
scons: *** Error 1
kmeans module unit tests FAILED
Running kmeans module unit tests
scons: *** [modules/kmeans/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/parallel/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/examples/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/examples/local_distance.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/examples/tasks.py >/scratch/nightly-build-21548/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 0.563s

OK
parallel examples succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/parallel/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.parallel --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/test/test_sge.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/test/test_startup.py /scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/test/test_tasks.py /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_parallel_standards.py >/scratch/nightly-build-21548/imp-SVN.r14111/modules/parallel/test/fast-test.results.out) > /dev/null
Test _SGEPESlave class ... ok
Test SGEPESlaveArray class ... ok
Test that slave tasks can start up and communicate ... ok
Test context startup callable ... ok
Make sure that startup failures cause a timeout ... ok
Test that startup with no slaves causes a failure ... ok
Check that NaN and Inf floats are pickled correctly ... ok
Test that exceptions can be passed to and from tasks ... ok
Test that exceptions raised by a task are propagated ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 13 tests in 2.315s

OK
parallel module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/pepdock/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/pepdock/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.pepdock --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/pepdock/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_pepdock_standards.py >/scratch/nightly-build-21548/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 0.019s

OK
pepdock module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/modules/scratch/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp modules/scratch/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.scratch --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/modules/scratch/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/test/test_scratch_standards.py >/scratch/nightly-build-21548/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 0.017s

OK
scratch module unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp applications/EModel2D/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --application=EModel2D --pycoverage=no --pyexe=em2d_domino_model.py --pyexe=em2d_cluster_solutions.py --pyexe=em2d_score_updated.py --pyexe=em2d_docking.py --pyexe=convert_spider_to_jpg.py --results=/scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_argminmax.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_buildxlinks.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_cluster_solutions.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_csv_related.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_database.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_dock_related.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_domino_modeling.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_mc_modeling.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/test_sampling.py >/scratch/nightly-build-21548/imp-SVN.r14111/applications/EModel2D/test/fast-test.results.out) > /dev/null
EModel2D application unit tests succeeded
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/applications/foxs/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp applications/foxs/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --application=foxs --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/applications/foxs/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/applications/foxs/test/test_saxs.py >/scratch/nightly-build-21548/imp-SVN.r14111/applications/foxs/test/fast-test.results.out) > /dev/null
Simple test of SAXS profile application ... foxs /scratch/nightly-build-21548/imp-SVN.r14111/applications/foxs/test/input/6lyz.pdb /scratch/nightly-build-21548/imp-SVN.r14111/applications/foxs/test/input/lyzexp.dat 
Computing profile for /scratch/nightly-build-21548/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 CA of residue 98
Atom O of residue 116
Atom O of residue 100
Atom NZ of residue 96
Atom CA of residue 11
SER
Atom CA of residue 66
Atom O of residue 40
Atom C of residue 98
Atom O of residue 57
Atom C of residue 120
Atom CG of residue 7
VAL
Atom CA of residue 77
Atom CB of residue 14
Atom N of residue 30
Atom CB of residue 73
Atom O of residue 119
Atom CD2 of residue 108
Atom CB of residue 107
Atom O of residue 37
Atom CB of residue 52
Atom N of residue 104
Atom CH2 of residue 111
ASN
Atom CZ of residue 38
Atom C of residue 117
Atom CG of residue 101
Atom C of residue 126
Atom CG of residue 93
Atom C of residue 47
Atom CE3 of residue 62
Atom CG of residue 70
Atom CB of residue 53
Atom C of residue 99
LYS
Atom CG1 of residue 124
Atom N of residue 54
Atom NE of residue 112
Atom CZ of residue 128
Atom O of residue 25
Atom CD2 of residue 20
Atom C of residue 110
Atom CG of residue 125
Atom O of residue 92
ALA
Atom CA of residue 4
GLY
Atom NE of residue 68
Atom O of residue 51
GLN
Atom O of residue 75
LYS
Atom CB of residue 81
Atom CG of residue 13
Atom CZ2 of residue 123
Atom CA of residue 72
Atom CD of residue 33
Atom CA of residue 67
Atom CG of residue 61
Atom N of residue 90
Atom CG of residue 66
Atom CB of residue 55
Atom CB of residue 43
Atom CB of residue 56
LEU
Atom CA of residue 15
Atom CA of residue 83
Atom CG of residue 41
Atom CD1 of residue 3
Atom N of residue 122
Atom O of residue 12
Atom N of residue 128
Atom CA of residue 6
Atom CB of residue 57
Atom OG1 of residue 47
Atom CH2 of residue 63
Atom OD1 of residue 48
Atom O of residue 23
Atom CB of residue 10
Atom C of residue 62
Atom CD1 of residue 17
SER
Atom CA of residue 26
ASN
Atom C of residue 88
ASN
Atom CB of residue 120
Atom NH1 of residue 21
Atom CG of residue 111
Atom CZ of residue 45
Atom CG of residue 21
Atom CB of residue 94
ASP
Atom C of residue 80
Atom CG of residue 129
Atom CA of residue 74
Atom CG of residue 38
Atom CB of residue 119
Atom O of residue 60
Atom CA of residue 59
Atom CB of residue 84
Atom CG of residue 28
Atom O of residue 58
Atom CG of residue 27
Atom CA of residue 21
Atom CA of residue 109
Atom CG of residue 14
Atom C of residue 77
Atom C of residue 79
Atom OD1 of residue 18
Atom CG of residue 73
Atom NE1 of residue 108
Atom CB of residue 100
Atom CA of residue 13
Atom CB of residue 32
Atom CG of residue 34
Atom CA of residue 84
Atom C of residue 20
Atom N of residue 112
Atom CA of residue 103
Atom CB of residue 92
Atom N of residue 42
Atom CZ of residue 5
Atom C of residue 115
Atom CB of residue 116
Atom CG2 of residue 124
GLY
Atom CZ of residue 112
Atom CG of residue 46
Atom O of residue 98
Atom CA of residue 31
Atom NH1 of residue 5
Atom CB of residue 39
GLU
Atom CA of residue 104
Atom ND2 of residue 44
Atom C of residue 15
Atom CG of residue 63
LEU
Atom CA of residue 121
CYS
Atom OG of residue 81
Atom CG of residue 105
Atom OG of residue 36
Atom C of residue 72
Atom CE of residue 33
Atom N of residue 108
Atom CB of residue 37
Atom C of residue 67
Atom CG of residue 106
Atom O of residue 110
Atom N of residue 97
Atom O of residue 8
Atom C of residue 50
Atom O of residue 123
Atom O of residue 117
Atom C of residue 91
Atom O of residue 126
Atom OD1 of residue 93
Atom CZ2 of residue 62
Atom N of residue 86
Atom C of residue 75
Atom C of residue 109
Atom O of residue 99
Atom CB of residue 25
ALA
Atom CE1 of residue 20
VAL
Atom CD of residue 125
Atom CD1 of residue 84
Atom CE of residue 12
Atom CB of residue 51
Atom CD2 of residue 17
Atom CD of residue 7
Atom O of residue 1
Atom CD of residue 13
Atom CB of residue 9
Atom C of residue 59
Atom CA of residue 65
Atom CG1 of residue 120
Atom NH2 of residue 21
Atom CG of residue 52
Atom SG of residue 94
Atom CG of residue 113
Atom CA of residue 45
Atom CG of residue 114
Atom C of residue 2
Atom CB of residue 23
Atom CB of residue 60
Atom CG of residue 53
Atom C of residue 78
Atom OG1 of residue 69
Atom C of residue 121
Atom OG1 of residue 118
Atom N of residue 39
Atom O of residue 89
Atom CD of residue 70
Atom O of residue 16
Atom CG1 of residue 92
ALA
ARG
Atom O of residue 77
Atom C of residue 19
Atom N of residue 64
Atom OD2 of residue 18
Atom O of residue 62
Atom NZ of residue 97
Atom CD1 of residue 34
Atom O of residue 88
Model 0
Atom CG1 of residue 55
Atom CA of residue 24
Atom CD1 of residue 129
Atom OD1 of residue 101
Atom CA of residue 54
Atom CG of residue 56
CYS
Atom NH2 of residue 5
Atom C of residue 26
Atom OD2 of residue 66
Atom N of residue 2
Atom CB of residue 58
Atom O of residue 20
Atom CG of residue 57
Atom N of residue 6
Atom OG1 of residue 43
Atom C of residue 96
Atom N of residue 36
Atom CZ of residue 68
Atom CD of residue 41
Atom OG1 of residue 40
Atom CG2 of residue 47
Atom CD of residue 61
Atom OD2 of residue 48
LYS
ARG
Atom CA of residue 87
Atom OD1 of residue 19
Atom CB of residue 123
Atom CA of residue 30
Atom N of residue 17
Atom CZ3 of residue 123
Atom C of residue 103
Atom O of residue 91
Atom CD of residue 21
Atom CA of residue 122
Atom CD2 of residue 84
Atom O of residue 59
Atom C of residue 74
Atom O of residue 66
Atom CG of residue 39
Atom NE2 of residue 15
Atom CD1 of residue 38
Atom CB of residue 8
Atom CD1 of residue 63
Atom N of residue 18
Atom O of residue 50
Atom CG of residue 84
Atom CB of residue 12
Atom O of residue 80
Atom N of residue 10
Atom NZ of residue 33
Atom C of residue 24
Atom CA of residue 108
Atom C of residue 65
Atom CG2 of residue 120
Atom CB of residue 89
Atom CD of residue 14
Atom N of residue 22
Atom CA of residue 7
Atom N of residue 33
Atom NH1 of residue 128
Atom CD of residue 73
Atom CB of residue 110
Atom C of residue 45
Atom OD1 of residue 113
Atom O of residue 115
Atom N of residue 118
Atom CB of residue 77
Atom N of residue 127
Atom NH1 of residue 112
Atom CZ3 of residue 62
SER
Atom CD of residue 114
Atom CG of residue 119
Atom O of residue 109
Atom CD2 of residue 3
Atom CA of residue 128
Atom CB of residue 99
Atom OD1 of residue 46
Atom OD1 of residue 27
Atom N of residue 19
Atom C of residue 31
Atom CD1 of residue 58
Atom CG of residue 44
Atom CD2 of residue 34
Atom CE of residue 13
Atom O of residue 78
Atom OD1 of residue 52
Atom O of residue 79
Atom N of residue 82
Atom CG2 of residue 55
Atom N of residue 37
Atom CD1 of residue 111
Atom OD2 of residue 101
Atom C of residue 76
Atom OG of residue 60
Atom CD1 of residue 53
Atom CG of residue 23
Atom O of residue 121
Atom OE1 of residue 7
ASN
Atom CB of residue 75
Atom C of residue 87
Atom CB of residue 6
Atom CD1 of residue 28
Atom CG2 of residue 43
SER
Atom CG of residue 12
CYS
Atom CB of residue 88
Atom OG1 of residue 51
Atom CG2 of residue 118
Atom CB of residue 91
Atom NE of residue 45
Atom C of residue 4
Atom NE of residue 61
Atom C of residue 104
Atom N of residue 71
Atom C of residue 122
Atom CA of residue 112
Atom SD of residue 105
Atom O of residue 26
6lyz.pdb
Atom ND2 of residue 93
Atom OD1 of residue 106
Atom CA of residue 22
Atom CH2 of residue 123
Atom O of residue 72
Atom C of residue 54
Atom CD1 of residue 56
Atom CG of residue 116
Atom N of residue 95
Atom OG of residue 100
Atom N of residue 85
Atom CD1 of residue 124
Atom CB of residue 44
GLY
Atom CB of residue 78
Atom NE of residue 125
Atom CG2 of residue 69
Atom CD of residue 57
Atom CB of residue 20
Atom CE1 of residue 3
Atom N of residue 98
Atom OE1 of residue 41
Atom NH2 of residue 128
Atom O of residue 103
Atom CA of residue 46
Atom CB of residue 80
Atom N of residue 48
Atom O of residue 24
ALA
GLY
Atom CE2 of residue 108
Atom CB of residue 62
Atom ND2 of residue 113
TRP
Atom CG of residue 123
Atom NH2 of residue 112
LEU
Atom NE of residue 114
Atom NE of residue 21
Atom CA of residue 97
Atom CG2 of residue 92
Atom CA of residue 118
Atom NH1 of residue 68
Atom CB of residue 79
Atom CA of residue 127
Atom ND2 of residue 27
Atom CG1 of residue 58
Atom O of residue 31
ASP
Atom CB of residue 50
Atom OD1 of residue 39
Atom CE2 of residue 3
Atom CE1 of residue 34
Atom ND2 of residue 19
Atom O of residue 65
Atom NE of residue 14
LYS
Atom NE of residue 73
Atom CB of residue 11
Atom N of residue 101
Atom CB of residue 115
Atom CD2 of residue 111
Atom N of residue 102
Atom CH2 of residue 62
Atom CD2 of residue 38
Atom CG1 of residue 88
Atom N of residue 9
Atom CD2 of residue 129
Atom CB of residue 109
Atom CB of residue 15
Atom O of residue 104
GLY
Atom N of residue 20
Atom O of residue 87
Atom CD2 of residue 28
Atom N of residue 44
Atom C of residue 29
Atom CB of residue 1
Atom ND2 of residue 46
ASN
Atom CA of residue 64
Atom OG of residue 72
Atom SG of residue 6
Atom CA of residue 3
Atom NZ of residue 13
Atom C of residue 42
Atom CE of residue 105
Atom O of residue 74
ALA
Atom ND2 of residue 106
Atom C of residue 84
Atom C of residue 22
Atom N of residue 124
Atom CG1 of residue 78
Atom CG of residue 62
Atom CB of residue 35
Atom O of residue 3
Atom CG of residue 20
Atom CD of residue 116
Atom CG2 of residue 40
Atom C of residue 46
Atom CG of residue 8
Atom CA of residue 85
Atom CB of residue 24
Atom CB of residue 121
Atom N of residue 125
Atom CA of residue 16
Atom OD1 of residue 119
Atom CG of residue 75
Atom CZ of residue 125
Atom C of residue 83
Atom CG1 of residue 99
Atom O of residue 96
ILE
Atom NE2 of residue 41
Atom CG of residue 45
Atom SG of residue 80
Atom C of residue 128
Atom CD2 of residue 63
Atom CA of residue 48
Atom N of residue 119
Atom CZ of residue 61
Atom CA of residue 37
Atom N of residue 49
Atom O of residue 122
Atom CE3 of residue 108
Atom CG2 of residue 51
Atom C of residue 11
Atom C of residue 112
Atom N of residue 114
Atom N of residue 27
Atom C of residue 6
Atom CG of residue 77
Atom N of residue 113
Atom CZ of residue 3
Atom O of residue 54
Atom CA of residue 86
ALA
Atom CB of residue 5
Atom NH2 of residue 68
Atom CG of residue 79
Atom CA of residue 17
Atom N of residue 28
Atom CA of residue 18
Atom O of residue 29
Atom N of residue 129
Atom CB of residue 103
Atom C of residue 44
Atom O of residue 6
Atom C of residue 108
Atom SD of residue 12
Atom CA of residue 23
Atom CA of residue 33
Atom N of residue 111
Atom N of residue 93
Atom CB of residue 72
Atom N of residue 34
Atom CB of residue 87
Atom CB of residue 74
Atom CD1 of residue 123
Atom OD2 of residue 52
Atom NE1 of residue 111
Atom C of residue 30
Atom CZ of residue 114
Atom CE1 of residue 38
ALA
Atom N of residue 70
Atom OXT of residue 129
THR
CYS
Atom N of residue 105
Atom N of residue 94
Atom C of residue 97
Atom CD2 of residue 53
Atom NE1 of residue 28
Atom CA of residue 20
GLY
Atom O of residue 76
Atom CB of residue 31
SER
Atom ND2 of residue 39
Atom O of residue 46
Atom N of residue 106
Atom CB of residue 65
Atom N of residue 107
Atom N of residue 12
ASP
Atom CD1 of residue 62
Atom O of residue 83
Atom C of residue 3
Atom SG of residue 115
Atom CA of residue 35
GLY
Atom OG of residue 91
Atom N of residue 63
Atom CE of residue 116
Atom N of residue 41
Atom CD1 of residue 55
Atom CG2 of residue 109
ARG
Atom CD2 of residue 56
Atom N of residue 1
Atom CB of residue 2
Atom O of residue 128
Atom N of residue 38
Atom NE1 of residue 63
Atom OE1 of residue 57
ASP
Atom OE1 of residue 35
Atom OD1 of residue 44
Atom CA of residue 71
Atom CG of residue 37
Atom CZ2 of residue 108
Atom CD1 of residue 8
Atom O of residue 22
ILE
TYR
Atom O of residue 120
Atom CG of residue 15
Atom N of residue 4
Atom C of residue 86
Atom OG of residue 24
Atom C of residue 68
Atom CD1 of residue 23
Atom CG of residue 25
Atom C of residue 16
Atom CG2 of residue 88
Atom N of residue 52
Atom N of residue 61
Atom CG2 of residue 99
LEU
Atom CG2 of residue 58
Atom N of residue 88
PRO
ASP
Atom OD1 of residue 66
Atom C of residue 64
Atom CB of residue 122
Atom N of residue 14
TRP
Atom O of residue 11
ASN
ASN
Atom N of residue 73
Atom CG of residue 87
PHE
Atom CG of residue 74
Atom CE2 of residue 20
Atom CB of residue 96
Atom N of residue 53
Atom CG of residue 1
Atom CE2 of residue 38
Atom O of residue 35
Atom CA of residue 9
Atom CB of residue 83
Atom CG1 of residue 2
Atom C of residue 90
Atom CE1 of residue 53
Atom NH1 of residue 125
Atom NZ of residue 1
Atom CB of residue 98
TRP
Atom CA of residue 49
Atom C of residue 18
Atom OG of residue 50
Atom N of residue 40
Atom O of residue 30
Atom CD of residue 35
GLN
Atom O of residue 44
ARG
Atom O of residue 108
ASN
CYS
Atom C of residue 33
Atom CD1 of residue 83
Atom CA of residue 12
Atom CA of residue 101
Atom CG2 of residue 78
Atom CD of residue 45
Atom N of residue 81
Atom CA of residue 102
Atom C of residue 17
Atom C of residue 21
TRP
Atom CB of residue 76
Atom O of residue 112
Atom N of residue 56
PHE
Atom OD1 of residue 77
Atom CA of residue 125
MET
Atom N of residue 57
Atom CD1 of residue 75
Atom O of residue 97
Atom C of residue 35
Atom CG1 of residue 109
Atom N of residue 55
ARG
Atom NE2 of residue 57
Atom CD of residue 79
Atom CG2 of residue 29
Atom O of residue 42
LYS
Atom NH1 of residue 61
Atom N of residue 69
ASN
Atom CE2 of residue 111
ALA
Atom O of residue 64
Atom CE2 of residue 34
Atom CA of residue 124
Atom CD2 of residue 62
ALA
Atom C of residue 118
Atom CZ of residue 14
Atom N of residue 92
Atom C of residue 127
Atom O of residue 86
Atom CZ of residue 73
Atom C of residue 49
Atom OD2 of residue 119
Atom NZ of residue 116
Atom CA of residue 95
Atom O of residue 118
ARG
Atom CA of residue 25
Atom ND2 of residue 59
Atom CD1 of residue 25
ASP
ARG
Atom CG of residue 121
ILE
Atom N of residue 29
Atom N of residue 32
Atom CB of residue 128
Atom C of residue 48
Atom OE2 of residue 35
Atom CZ3 of residue 108
Atom O of residue 4
Atom CA of residue 111
Atom O of residue 68
Atom CA of residue 34
Atom CA of residue 44
Atom CG1 of residue 98
Atom CA of residue 129
ASN
Atom N of residue 23
Atom CG of residue 83
Atom CA of residue 82
MET
Atom CB of residue 97
Atom NH2 of residue 125
Atom CB of residue 112
Atom CB of residue 46
Atom CA of residue 27
Atom CE2 of residue 28
ASN
Atom CA of residue 28
Atom CD1 of residue 88
Atom CZ of residue 20
Atom N of residue 51
Atom CG of residue 96
Atom C of residue 36
ILE
Atom NH1 of residue 45
Atom CA of residue 1
Atom O of residue 90
Atom CA of residue 19
Atom N of residue 120
ARG
TYR
Atom CB of residue 29
Chain A
Atom ND1 of residue 15
Atom C of residue 71
Atom OD1 of residue 37
LEU
Atom CA of residue 70
Atom C of residue 13
Atom CD2 of residue 123
Atom CE1 of residue 23
Atom CA of residue 8
THR
Atom CE2 of residue 23
Atom NH1 of residue 114
THR
Atom C of residue 66
Atom CG of residue 103
Atom N of residue 45
Atom CG2 of residue 2
Atom CA of residue 63
Atom C of residue 9
Atom CD1 of residue 78
Atom CZ3 of residue 28
Atom N of residue 25
Atom CE2 of residue 63
Atom N of residue 67
Atom CB of residue 30
Atom CA of residue 105
Atom CB of residue 86
Atom O of residue 17
Atom C of residue 95
Atom CA of residue 41
Atom CA of residue 106
Atom CB of residue 108
Atom CE3 of residue 111
Atom O of residue 33
Atom CA of residue 107
Atom CZ of residue 34
Atom C of residue 101
SER
Atom O of residue 19
Atom CG of residue 65
Atom C of residue 102
Atom O of residue 21
Atom CD2 of residue 8
Atom CA of residue 114
Atom OD1 of residue 87
Atom N of residue 116
Atom N of residue 60
Atom C of residue 125
GLN
Atom CG of residue 97
Atom CA of residue 61
Atom CB of residue 68
Atom CA of residue 5
Atom CD of residue 121
Atom CB of residue 90
Atom CA of residue 38
Atom O of residue 18
Atom N of residue 100
Atom NH1 of residue 14
Atom N of residue 80
Atom O of residue 127
Atom CA of residue 52
ALA
Atom C of residue 34
THR
Atom CG2 of residue 98
Atom CB of residue 64
Atom CA of residue 14
Atom C of residue 124
Atom OD1 of residue 103
Atom O of residue 49
Atom CE2 of residue 53
Atom N of residue 126
Atom N of residue 47
Atom CG of residue 59
Atom CE3 of residue 28
Atom OD1 of residue 74
Atom CD2 of residue 23
Atom OE2 of residue 7
Atom CA of residue 113
Atom CD2 of residue 25
Atom C of residue 82
Atom CA of residue 89
Atom N of residue 5
Atom N of residue 58
Atom N of residue 110
Atom O of residue 36
Atom CD2 of residue 75
Atom NH2 of residue 45
Atom C of residue 7
Atom C of residue 70
Atom CD of residue 1
Atom CH2 of residue 108
Atom C of residue 111
Atom NE1 of residue 62
Atom CA of residue 53
Atom NH2 of residue 61
Atom CA of residue 55
Atom NH1 of residue 73
Atom CA of residue 39
Atom N of residue 123
TYR
Atom CH2 of residue 28
Atom CA of residue 56
Atom CD2 of residue 83
Atom NE1 of residue 123
VAL
Atom CZ of residue 23
Atom NH2 of residue 114
Atom C of residue 28
Atom SG of residue 76
Atom CA of residue 79
Atom CA of residue 93
Atom C of residue 85
Atom CE3 of residue 63
THR
Atom OH of residue 20
Atom CB of residue 42
Atom OG of residue 86
Atom C of residue 129
Atom ND2 of residue 37
Atom O of residue 95
Atom C of residue 41
Atom CG of residue 128
Atom N of residue 11
Atom N of residue 35
Atom CA of residue 120
Atom CB of residue 19
Atom C of residue 27
Atom OD1 of residue 65
Atom ND2 of residue 77
VAL
Atom CA of residue 10
Atom C of residue 113
Atom CD2 of residue 15
Atom O of residue 67
Atom C of residue 61
Atom C of residue 114
LYS
Atom CA of residue 57
Atom CG of residue 68
Atom O of residue 9
Atom CG of residue 112
Atom C of residue 5
Atom OE1 of residue 121
Atom N of residue 3
Atom N of residue 99
Atom N of residue 91
Atom C of residue 38
SER
Atom CA of residue 69
Atom CA of residue 80
Atom CB of residue 17
Atom CB of residue 21
Atom CA of residue 43
Atom CA of residue 32
Atom C of residue 106
Atom CD of residue 96
Atom CZ2 of residue 111
Atom CB of residue 33
Atom C of residue 107
Atom C of residue 14
Atom O of residue 45
Atom CA of residue 2
Atom O of residue 48
GLY
Atom C of residue 63
Atom O of residue 101
Atom CZ of residue 53
Atom O of residue 7
SER
Atom O of residue 125
Atom C of residue 105
Atom O of residue 82
Atom O of residue 2
Atom N of residue 117
Atom N of residue 89
ILE
Atom CB of residue 93
Atom O of residue 71
Atom C of residue 39
Atom OD2 of residue 87
Atom CB of residue 18
Atom CA of residue 94
Atom N of residue 78
Atom CB of residue 127
Atom N of residue 68
Atom O of residue 70
THR
Atom O of residue 34
Atom CA of residue 73
Atom NH2 of residue 14
Atom CG of residue 19
Atom CD1 of residue 98
Atom N of residue 62
Atom NH2 of residue 73
Atom CG of residue 5
TRP
Atom ND2 of residue 103
Atom C of residue 93
Atom O of residue 102
Atom N of residue 115
Atom N of residue 50
VAL
Atom CB of residue 95
Atom CD of residue 97
Atom OD1 of residue 59
Atom ND2 of residue 74
Atom OG1 of residue 89
Atom CA of residue 40
Atom C of residue 52
Atom N of residue 77
Atom O of residue 61
Atom O of residue 85
LEU
Atom CA of residue 51
Atom O of residue 13
ALA
Atom N of residue 76
Atom CA of residue 29
Atom O of residue 5
Atom CA of residue 81
Atom CD of residue 128
Atom ND2 of residue 65
Atom C of residue 53
Atom SG of residue 64
Atom C of residue 56
Atom N of residue 84
Atom CA of residue 116
Atom N of residue 8
Atom N of residue 26
Atom O of residue 129
Atom O of residue 124
Atom NE2 of residue 121
Atom CB of residue 3
VAL
CYS
Atom O of residue 27
Atom O of residue 38
Atom CB of residue 48
Atom CA of residue 100
Atom C of residue 69
Atom SG of residue 30
Atom N of residue 43
Atom C of residue 55
Atom N of residue 72
Atom OH of residue 23
Atom O of residue 47
GLU
Atom N of residue 46
Atom CG of residue 108
Atom CE2 of residue 123
Atom C of residue 40
Atom O of residue 113
Atom CE1 of residue 15
Atom O of residue 111
Atom CB of residue 45
Atom C of residue 1
Atom O of residue 114
Atom CA of residue 119
Atom CA of residue 60
Atom C of residue 57
GLY
THR
Atom CB of residue 7
Atom CD of residue 112
Atom CB of residue 70
Atom C of residue 73
Atom CA of residue 58
Atom CA of residue 92
Atom O of residue 28
Atom CA of residue 91
Atom C of residue 94
Atom CZ2 of residue 28
Atom O of residue 63
Atom C of residue 43
ARG
Atom CG1 of residue 29
Atom O of residue 15
Atom N of residue 21
Atom CE of residue 96
Atom N of residue 15
TRP
Atom O of residue 105
Atom N of residue 87
Atom N of residue 74
Atom CA of residue 123
Atom O of residue 93
Atom CB of residue 85
Atom O of residue 106
Atom O of residue 39
Atom N of residue 96
Atom CB of residue 101
Atom C of residue 116
Atom CA of residue 75
Atom C of residue 100
LEU
ALA
ASN
Atom CB of residue 124
Atom C of residue 32
Atom C of residue 81
Atom CB of residue 125
Atom CB of residue 118
Atom CA of residue 50
Atom CA of residue 76
Atom N of residue 13
Atom N of residue 79
GLY
Atom CB of residue 66
Atom CG of residue 18
Atom CA of residue 78
Atom CG of residue 17
Atom CB of residue 34
Atom CZ2 of residue 63
Atom N of residue 66
Atom CA of residue 110
CYS
Atom CB of residue 82
Atom CE of residue 1
Atom O of residue 107
Atom C of residue 37
Atom CD of residue 5
Atom O of residue 52
Atom O of residue 41
Atom CB of residue 61
Atom CB of residue 38
Atom N of residue 103
CYS
Atom CE of residue 97
Atom CA of residue 47
Atom CA of residue 90
Atom C of residue 10
Atom CA of residue 99
GLY
Atom NE of residue 128
Atom C of residue 25
Atom CG of residue 48
Atom CB of residue 13
Atom CD1 of residue 20
Atom C of residue 92
Atom O of residue 69
Atom N of residue 31
SER
Atom N of residue 24
Atom CD of residue 68
Atom C of residue 119
Atom CA of residue 88
Atom CA of residue 36
Atom N of residue 109
SER
Atom CD1 of residue 108
Atom CE3 of residue 123
Atom N of residue 16
Atom CB of residue 111
ASN
Atom O of residue 56
LEU
Atom CZ3 of residue 111
Atom O of residue 55
Atom CB of residue 129
Atom CA of residue 117
Atom O of residue 14
Atom CZ of residue 21
Atom N of residue 7
Atom CB of residue 59
ARG
PHE
Atom O of residue 73
Atom OH of residue 53
ARG
Atom CE2 of residue 62
Atom CB of residue 27
Atom CG of residue 3
Atom O of residue 94
Atom CB of residue 40
Atom C of residue 12
Atom CA of residue 68
Atom C of residue 51
HIS
Atom C of residue 23
Atom C of residue 8
Atom CA of residue 62
Atom N of residue 121
ASN
Atom OG of residue 85
ILE
Atom N of residue 59
Atom CB of residue 113
Atom CG of residue 33
Atom CA of residue 96
Atom CB of residue 114
Atom C of residue 60
Atom O of residue 53
Atom O of residue 43
Atom O of residue 81
Atom C of residue 58
Atom N of residue 75
Atom N of residue 83
Atom CB of residue 28
PRO
Atom CB of residue 41
Atom CA of residue 126
Atom CG2 of residue 89
Atom O of residue 84
Atom SG of residue 127
Atom CB of residue 36
Atom CB of residue 63
Atom CB of residue 47
Atom CZ3 of residue 63
Atom CG of residue 35
Atom CA of residue 42
Atom O of residue 10
Atom CB of residue 105
GLY
ASP
Atom C of residue 123
Atom O of residue 32
Atom CB of residue 106
Atom CB of residue 69
Atom NE of residue 5
Atom CA of residue 115
Atom N of residue 65
Atom C of residue 89
in 1.559s ... ok

----------------------------------------------------------------------
Ran 1 test in 1.560s

OK
foxs application unit tests succeeded
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In function 'int read_results_file(std::string, std::vector >&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
applications/integrative_docking/em3d_dock/MapScorer.cpp: In member function 'IMP::em::DensityMap* MapScorer::get_transformed(const IMP::algebra::Transformation3D&) const':
applications/integrative_docking/em3d_dock/MapScorer.cpp:67: warning: comparison between signed and unsigned integer expressions
applications/integrative_docking/em3d_dock/MapScorer.cpp: In member function 'IMP::em::DensityMap* MapScorer::get_transformed(const IMP::algebra::Transformation3D&, const IMP::algebra::Transformation3D&) const':
applications/integrative_docking/em3d_dock/MapScorer.cpp:87: warning: comparison between signed and unsigned integer expressions
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h: In member function 'void ResidueContent::read_content_file(const std::string&)':
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_algo.h:2178: warning: array subscript is above array bounds
build/include/IMP/Key.h: In function 'void get_residue_solvent_accessibility(const IMP::Particles&, const IMP::Particles&, const std::vector >&, std::vector >&)':
build/include/IMP/Key.h:120: warning: dereferencing pointer '' does break strict-aliasing rules
/usr/lib/gcc/i686-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_tree.h:175: note: initialized from here
tempfile /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp applications/integrative_docking/test/fast-test.results.result
mkdir -p /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-21548/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-21548/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-21548/imp-SVN.r14111/scons_tools/run-all-tests.py --application=integrative_docking --pycoverage=no --results=/scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/test_em2d_dock.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/test_em3d_dock.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/test_foxsdock.py /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/test_nmr_rtc.py >/scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results.out) > /dev/null
Simple test of EM2D single PDB score application ... em2d_single_score /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/complex-2d.pdb /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/image_1.pgm /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/image_2.pgm /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/image_3.pgm -s 2.2 -n 200 
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
height = 1 all images 3
7824 atoms were read from file /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/complex-2d.pdb
200 projections were created
Image 0 Best projection 171 -135.204 0 0 0.95263 0.310345
Image 1 Best projection 27 198.988 0 0 0.94528 0.342167
Image 2 Best projection 152 75.5035 0 0 0.943201 0.289988
Total score = 2.84111
height = 1 all images 3
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CA of residue 34
Atom ND1 of residue 442
Atom CB of residue 382
Atom CZ of residue 205
Atom NH2 of residue 414
Atom O of residue 359
Atom CA of residue 435
Atom C of residue 60
Atom O of residue 359
Atom CE of residue 246
Atom CA of residue 131
Atom N of residue 678
THR
Atom OH of residue 239
Atom CA of residue 103
Atom CG of residue 197
Atom N of residue 620
Atom CE2 of residue 315
Atom N of residue 317
Atom O of residue 566
Atom NH1 of residue 496
Atom C of residue 181
Atom CA of residue 531
Atom O of residue 522
Atom CA of residue 33
Atom C of residue 64
Atom CA of residue 231
Atom N of residue 290
Atom O of residue 313
Atom C of residue 505
Atom CA of residue 333
Atom CA of residue 442
Atom N of residue 85
Atom SD of residue 247
ASP
MET
Atom O of residue 45
Atom C of residue 429
Atom N of residue 371
Atom OE1 of residue 145
Atom OG of residue 403
Atom NE2 of residue 25
Atom CA of residue 637
Atom CA of residue 128
Atom OE2 of residue 593
Atom O of residue 232
Atom CD of residue 611
Atom OE1 of residue 190
Atom OG1 of residue 270
Atom CG of residue 138
Atom CA of residue 301
Atom O of residue 435
Atom C of residue 189
Atom C of residue 394
Atom CA of residue 258
Atom CA of residue 540
Atom OG of residue 178
Atom CB of residue 559
Atom N of residue 646
Atom C of residue 342
Atom CA of residue 8
Atom CA of residue 116
Atom CB of residue 225
Atom CE1 of residue 142
CYS
Atom CG of residue 177
Atom CA of residue 411
Atom C of residue 412
Atom CB of residue 469
Atom CD of residue 197
Atom CG of residue 513
GLU
Atom CG of residue 85
Atom N of residue 422
Atom CA of residue 90
Atom C of residue 284
Atom N of residue 655
Atom CD of residue 222
VAL
Atom CB of residue 628
Atom O of residue 262
Atom CG of residue 324
Atom CA of residue 106
Atom CG of residue 489
LEU
ASP
Atom CA of residue 252
Atom C of residue 435
Atom CB of residue 419
Atom N of residue 478
Atom CG of residue 212
Atom CB of residue 103
Atom N of residue 135
Atom CE1 of residue 122
MET
Atom NE2 of residue 602
Atom CB of residue 566
Atom CG of residue 382
Atom N of residue 206
Atom O of residue 181
Atom O of residue 60
Atom CB of residue 234
Atom CA of residue 341
VAL
Atom C of residue 239
Atom N of residue 586
Atom CG2 of residue 115
GLU
Atom CB of residue 111
Atom CD of residue 37
Atom N of residue 160
PRO
Atom CB of residue 308
Atom NH2 of residue 496
GLY
Atom O of residue 342
Atom C of residue 531
Atom CG of residue 350
Atom N of residue 351
Atom N of residue 153
Atom CB of residue 206
Atom N of residue 367
Atom C of residue 403
GLU
LYS
Atom C of residue 432
Atom C of residue 71
Atom NE2 of residue 99
Atom CE2 of residue 411
Atom CG of residue 442
Atom C of residue 253
Atom CD1 of residue 138
Atom N of residue 415
Atom N of residue 360
Atom CG of residue 84
Atom CB of residue 359
TRP
Atom C of residue 246
Atom N of residue 374
Atom CB of residue 333
Atom CB of residue 17
Atom CG2 of residue 460
Atom CZ of residue 315
Atom C of residue 116
Atom CB of residue 128
Atom O of residue 505
Atom C of residue 81
Atom CA of residue 281
Atom NE2 of residue 190
Atom N of residue 169
Atom CH2 of residue 428
Atom O of residue 549
Atom CB of residue 522
Atom NE2 of residue 145
Atom CB of residue 53
Atom C of residue 411
Atom O of residue 412
Atom OE1 of residue 197
Atom CB of residue 262
Atom NE of residue 306
Atom CA of residue 317
ILE
ASP
Atom SG of residue 308
Atom OD2 of residue 367
Atom N of residue 380
Atom C of residue 252
Atom O of residue 284
Atom N of residue 46
Atom CB of residue 34
Atom N of residue 324
Atom CA of residue 135
Atom CG of residue 670
Atom CA of residue 262
Atom CA of residue 678
Atom CA of residue 293
Atom CE of residue 611
Atom C of residue 427
Atom CD of residue 152
Atom CG2 of residue 270
Atom OG of residue 8
Atom N of residue 436
Atom O of residue 189
Atom C of residue 258
Atom CA of residue 141
Atom O of residue 435
Atom N of residue 603
Atom CG of residue 566
Atom CB of residue 83
Atom CG of residue 103
GLU
Atom CB of residue 342
Atom N of residue 61
Atom CB of residue 247
Atom C of residue 637
Atom C of residue 442
ASN
Atom CA of residue 620
GLY
VAL
Atom OG of residue 206
Atom N of residue 594
Atom CB of residue 161
ARG
Atom N of residue 497
Atom CD1 of residue 324
Atom CA of residue 26
LEU
Atom CG of residue 419
ALA
ASN
Atom CB of residue 341
VAL
Atom C of residue 281
Atom O of residue 403
Atom O of residue 557
Atom O of residue 394
Atom O of residue 71
Atom CZ of residue 411
Atom O of residue 253
Atom CA of residue 120
Atom CD of residue 84
ALA
Atom CG2 of residue 359
ASP
Atom N of residue 101
Atom O of residue 239
Atom O of residue 213
Atom CG1 of residue 115
Atom CB of residue 97
Atom OG of residue 225
Atom CE of residue 37
Atom CG1 of residue 17
Atom C of residue 90
Atom CA of residue 234
Atom CA of residue 646
Atom CA of residue 5
Atom O of residue 531
SER
Atom CD of residue 350
Atom C of residue 678
Atom OE1 of residue 222
Atom C of residue 308
Atom CG of residue 559
LEU
Atom CE2 of residue 122
GLN
Atom CE1 of residue 116
Atom CE2 of residue 142
Atom CE2 of residue 453
Atom CD1 of residue 177
Atom N of residue 179
Atom O of residue 411
Atom CB of residue 412
Atom N of residue 461
Atom CG1 of residue 312
Atom OD1 of residue 212
Atom N of residue 368
Atom CB of residue 442
VAL
LEU
Atom OD1 of residue 513
LYS
Atom C of residue 8
Atom CB of residue 549
Atom CA of residue 64
Atom CD of residue 382
Atom CG of residue 469
Atom O of residue 252
Atom CB of residue 435
Atom C of residue 111
Atom C of residue 128
Atom N of residue 506
Atom CB of residue 293
Atom O of residue 427
Atom CD of residue 103
Atom CG of residue 342
Atom CD1 of residue 489
Atom CA of residue 586
ALA
Atom C of residue 206
Atom CA of residue 206
SER
Atom CA of residue 371
Atom C of residue 145
Atom N of residue 100
Atom CA of residue 161
THR
Atom C of residue 646
Atom N of residue 285
Atom CA of residue 398
Atom C of residue 620
Atom CA of residue 198
ALA
THR
Atom N of residue 191
GLY
Atom CD of residue 670
Atom CB of residue 231
Atom CB of residue 557
Atom CA of residue 271
Atom CA of residue 422
Atom CA of residue 351
Atom NZ of residue 611
Atom CG of residue 628
HIS
Atom O of residue 637
Atom CA of residue 367
Atom O of residue 258
Atom CB of residue 120
Atom C of residue 131
Atom N of residue 72
Atom N of residue 254
Atom OE1 of residue 84
Atom CA of residue 290
Atom CB of residue 262
Atom C of residue 540
Atom N of residue 240
Atom NE2 of residue 197
Atom OG of residue 262
ILE
Atom O of residue 25
Atom OH of residue 315
Atom O of residue 246
Atom O of residue 432
Atom CG of residue 53
Atom O of residue 281
Atom OG1 of residue 333
Atom OE2 of residue 350
Atom CG of residue 34
ASP
Atom C of residue 270
Atom CZ of residue 122
Atom CG of residue 341
Atom CZ of residue 142
Atom CE3 of residue 453
LEU
Atom CB of residue 411
Atom CG of residue 412
Atom N of residue 214
Atom CG of residue 247
Atom CG of residue 97
Atom OD2 of residue 212
ILE
Atom CD2 of residue 442
Atom ND2 of residue 513
Atom CD1 of residue 566
Atom C of residue 271
Atom CD of residue 469
Atom CG1 of residue 359
Atom N of residue 428
Atom CB of residue 531
Atom O of residue 183
Atom CA of residue 374
Atom CD2 of residue 489
Atom C of residue 333
Atom CD2 of residue 138
Atom O of residue 442
Atom CD2 of residue 324
Atom C of residue 586
Atom O of residue 140
Atom C of residue 398
Atom CA of residue 603
Atom C of residue 235
Atom CB of residue 371
Atom N of residue 523
Atom OH of residue 411
Atom CD2 of residue 177
Atom CG of residue 231
Atom CA of residue 169
Atom CA of residue 109
Atom N of residue 404
Atom C of residue 198
Atom N of residue 395
Atom CA of residue 594
Atom CB of residue 367
Atom CB of residue 258
SER
Atom OE1 of residue 382
Atom CA of residue 497
Atom CA of residue 360
Atom CB of residue 5
Atom CD1 of residue 115
Atom C of residue 315
Atom O of residue 111
Atom C of residue 422
Atom CD1 of residue 53
Atom C of residue 351
Atom CD of residue 628
Atom CA of residue 380
Atom CD1 of residue 341
Atom CA of residue 415
Atom CD of residue 342
Atom N of residue 190
Atom NZ of residue 37
Atom C of residue 160
Atom O of residue 90
Atom CE1 of residue 78
Atom CG of residue 120
THR
Atom OE2 of residue 222
Atom CG1 of residue 161
Atom O of residue 308
Atom CD1 of residue 559
Atom C of residue 206
VAL
Atom OE2 of residue 84
Atom C of residue 290
Atom N of residue 226
Atom O of residue 128
Atom O of residue 86
THR
Atom CB of residue 298
Atom CD1 of residue 34
Atom O of residue 620
Atom N of residue 247
Atom CZ of residue 306
Atom O of residue 333
Atom O of residue 540
Atom CA of residue 61
Atom CG of residue 557
Atom O of residue 131
Atom CA of residue 183
Atom N of residue 123
Atom NE2 of residue 116
Atom CB of residue 637
Atom CG of residue 262
Atom CA of residue 179
Atom CB of residue 442
Atom C of residue 419
Atom CB of residue 301
Atom CG of residue 371
Atom CB of residue 432
Atom O of residue 678
Atom N of residue 219
Atom CA of residue 368
GLY
Atom N of residue 514
Atom CA of residue 153
Atom CG of residue 549
Atom O of residue 271
Atom NE of residue 469
Atom C of residue 197
Atom CA of residue 263
Atom OE1 of residue 670
Atom O of residue 398
Atom CG1 of residue 435
Atom CA of residue 46
Atom CG of residue 258
Atom N of residue 282
Atom OE1 of residue 103
Atom CB of residue 360
Atom O of residue 8
Atom CB of residue 169
Atom N of residue 143
Atom CB of residue 183
Atom C of residue 374
Atom CE1 of residue 489
Atom CA of residue 655
Atom O of residue 145
Atom CG2 of residue 17
Atom N of residue 5
Atom OE1 of residue 350
Atom OH of residue 142
ILE
Atom CG of residue 293
Atom O of residue 91
Atom CA of residue 436
Atom CB of residue 408
Atom CA of residue 478
Atom CB of residue 380
Atom C of residue 109
Atom CD of residue 231
Atom N of residue 26
Atom O of residue 206
Atom CB of residue 131
Atom CB of residue 90
Atom NE2 of residue 442
Atom O of residue 81
Atom CA of residue 191
Atom OD1 of residue 120
Atom CB of residue 252
Atom O of residue 235
Atom C of residue 115
Atom O of residue 315
Atom CG2 of residue 333
LYS
Atom O of residue 422
Atom CD2 of residue 53
VAL
Atom OE1 of residue 628
Atom O of residue 646
Atom CD2 of residue 341
Atom CG2 of residue 234
ASP
TRP
Atom CG of residue 301
TYR
Atom N of residue 129
Atom C of residue 317
ALA
Atom C of residue 37
Atom N of residue 612
Atom O of residue 586
Atom C of residue 603
Atom CA of residue 72
Atom CZ2 of residue 453
Atom CB of residue 333
Atom CE1 of residue 138
HIS
Atom CG of residue 298
Atom CA of residue 324
SER
HIS
Atom CD of residue 97
Atom O of residue 198
Atom C of residue 655
Atom C of residue 594
Atom CG1 of residue 367
Atom C of residue 497
Atom CB of residue 398
Atom N of residue 112
Atom CD2 of residue 566
Atom CB of residue 678
Atom O of residue 351
LEU
Atom N of residue 117
Atom ND1 of residue 436
Atom CB of residue 271
Atom C of residue 179
Atom O of residue 270
Atom OE2 of residue 670
Atom CB of residue 46
Atom O of residue 419
Atom N of residue 360
Atom NH1 of residue 306
LEU
Atom CD of residue 277
Atom OE1 of residue 101
Atom O of residue 206
Atom N of residue 263
Atom CB of residue 153
Atom O of residue 290
Atom C of residue 411
Atom C of residue 177
Atom CD2 of residue 34
Atom CE2 of residue 78
Atom CZ of residue 469
Atom CB of residue 620
Atom SD of residue 293
Atom CA of residue 214
ILE
Atom O of residue 374
Atom ND1 of residue 557
Atom C of residue 478
Atom C of residue 222
Atom C of residue 17
Atom CA of residue 240
Atom OG of residue 169
GLY
Atom CD of residue 262
Atom O of residue 317
Atom CG of residue 131
Atom CA of residue 523
Atom CB of residue 324
Atom OE1 of residue 342
Atom O of residue 410
Atom C of residue 333
Atom CB of residue 422
Atom CA of residue 219
Atom C of residue 368
Atom N of residue 647
Atom C of residue 135
ALA
Atom CD of residue 301
Atom N of residue 309
Atom CG1 of residue 380
Atom CB of residue 183
Atom CG2 of residue 435
Atom CA of residue 506
Atom O of residue 160
Atom OE2 of residue 628
Atom OE2 of residue 103
Atom CG of residue 360
Atom CA of residue 285
Atom C of residue 77
Atom CA of residue 190
Atom C of residue 101
Atom O of residue 37
GLU
SER
Atom CG of residue 531
Atom CB of residue 61
Atom N of residue 638
Atom CZ3 of residue 453
Atom CG1 of residue 252
Atom CD of residue 549
Atom NH2 of residue 306
Atom O of residue 109
Atom N of residue 235
Atom N of residue 443
Atom CA of residue 247
Atom CG of residue 90
Atom CA of residue 254
Atom C of residue 191
Atom CB of residue 100
Atom O of residue 115
Atom O of residue 79
Atom SG of residue 678
Atom CG2 of residue 161
Atom C of residue 341
Atom CG of residue 183
Atom CG of residue 432
SER
Atom CD of residue 258
Atom OD1 of residue 298
Atom CD2 of residue 559
Atom N of residue 271
Atom CB of residue 586
Atom O of residue 603
Atom N of residue 9
Atom N of residue 420
PRO
Atom O of residue 655
Atom CE of residue 277
Atom CB of residue 72
GLY
Atom N of residue 325
Atom CA of residue 461
Atom O of residue 177
Atom N of residue 92
Atom CE1 of residue 34
Atom C of residue 169
Atom CB of residue 190
Atom N of residue 199
Atom CB of residue 317
Atom C of residue 350
Atom CD1 of residue 131
Atom CG2 of residue 367
Atom CE of residue 293
Atom CE1 of residue 53
Atom CB of residue 540
GLN
Atom O of residue 497
Atom CG2 of residue 46
Atom CE of residue 231
Atom CE2 of residue 489
Atom CA of residue 226
Atom O of residue 478
Atom N of residue 207
Atom N of residue 146
Atom O of residue 594
Atom O of residue 222
Atom CB of residue 351
Atom NE2 of residue 382
Atom CA of residue 406
Atom C of residue 506
Atom CA of residue 428
Atom O of residue 179
Atom CE1 of residue 442
Atom OG1 of residue 324
ASP
Atom CG of residue 436
Atom CD2 of residue 371
Atom C of residue 254
ALA
Atom O of residue 135
Atom CA of residue 123
Atom CB of residue 206
Atom CA of residue 514
Atom CG of residue 153
Atom OE1 of residue 301
Atom CB of residue 290
Atom O of residue 411
Atom CE2 of residue 138
Atom CB of residue 285
Atom N of residue 85
Atom CA of residue 395
Atom CB of residue 160
PRO
Atom N of residue 560
Atom CA of residue 671
Atom CA of residue 612
TYR
Atom CD of residue 531
Atom N of residue 316
Atom C of residue 523
Atom CG of residue 183
Atom CA of residue 143
Atom CB of residue 79
Atom C of residue 415
Atom O of residue 17
Atom O of residue 368
Atom N of residue 79
Atom CA of residue 443
Atom CA of residue 129
Atom NE2 of residue 101
Atom CG1 of residue 333
Atom CG of residue 398
Atom CB of residue 655
Atom C of residue 161
Atom CB of residue 428
Atom CB of residue 240
Atom O of residue 197
Atom CD of residue 360
Atom NE of residue 549
Atom CA of residue 38
Atom O of residue 191
ASN
Atom C of residue 26
Atom OE1 of residue 262
ALA
Atom CB of residue 214
Atom C of residue 461
Atom CB of residue 478
Atom CB of residue 395
Atom CG of residue 141
Atom N of residue 178
Atom CE2 of residue 34
Atom CB of residue 135
Atom CA of residue 82
Atom ND1 of residue 247
Atom OD2 of residue 120
Atom CG of residue 285
LEU
Atom N of residue 116
Atom CB of residue 374
Atom CZ of residue 489
Atom C of residue 556
Atom C of residue 226
Atom NE1 of residue 566
Atom NZ of residue 277
THR
Atom NE2 of residue 77
Atom O of residue 341
Atom CD1 of residue 183
Atom CE of residue 258
Atom ND2 of residue 298
Atom C of residue 442
SER
Atom OG1 of residue 72
Atom CG of residue 540
LEU
Atom N of residue 138
Atom CG1 of residue 46
Atom CB of residue 603
Atom CA of residue 307
PHE
Atom CG1 of residue 271
Atom CH2 of residue 453
Atom CZ of residue 138
Atom CD of residue 153
GLU
Atom OG of residue 61
Atom O of residue 333
Atom CG of residue 190
ARG
Atom O of residue 506
Atom O of residue 350
TRP
Atom CG of residue 422
Atom CE2 of residue 53
Atom CG of residue 160
Atom CA of residue 282
Atom CA of residue 404
Atom CB of residue 75
Atom CG of residue 620
Atom CB of residue 436
Atom C of residue 143
Atom O of residue 415
Atom CB of residue 594
Atom CD of residue 90
Atom NE2 of residue 4
Atom OE1 of residue 531
Atom OD1 of residue 432
Atom N of residue 679
Atom CB of residue 179
GLU
LEU
Atom CG1 of residue 655
Atom CB of residue 85
Atom O of residue 254
VAL
Atom C of residue 514
Atom N of residue 671
Atom CE1 of residue 85
Atom N of residue 412
Atom CG2 of residue 252
Atom CG2 of residue 95
Atom N of residue 223
Atom CB of residue 109
Atom N of residue 383
Atom NH1 of residue 469
Atom CA of residue 560
Atom CA of residue 647
Atom CA of residue 80
Atom C of residue 293
Atom N of residue 498
Atom CA of residue 271
Atom NZ of residue 231
Atom O of residue 26
Atom CD1 of residue 371
ALA
Atom CG2 of residue 380
Atom OD1 of residue 183
ALA
Atom CD1 of residue 461
Atom N of residue 307
Atom O of residue 226
Atom N of residue 479
Atom N of residue 18
Atom N of residue 198
Atom CG of residue 135
Atom CG of residue 206
Atom CA of residue 325
Atom CB of residue 404
Atom NE2 of residue 342
Atom O of residue 169
Atom CG of residue 247
Atom CB of residue 368
Atom CB of residue 191
Atom C of residue 123
Atom C of residue 263
Atom C of residue 61
Atom CG1 of residue 428
Atom CG of residue 75
Atom C of residue 153
Atom CA of residue 360
Atom CZ of residue 549
Atom CB of residue 415
Atom CG of residue 317
Atom CD2 of residue 131
Atom CA of residue 259
Atom C of residue 282
Atom N of residue 629
Atom N of residue 436
Atom N of residue 61
Atom N of residue 38
Atom C of residue 103
Atom CG of residue 586
Atom CD1 of residue 46
Atom OE2 of residue 301
Atom CB of residue 129
Atom CE2 of residue 566
Atom N of residue 102
Atom N of residue 454
Atom O of residue 523
Atom CA of residue 178
Atom CA of residue 85
Atom O of residue 161
Atom CA of residue 309
Atom CG2 of residue 324
Atom OD1 of residue 285
Atom CA of residue 17
Atom CA of residue 116
Atom CD of residue 620
Atom CD2 of residue 436
Atom CG of residue 374
Atom O of residue 556
Atom C of residue 277
Atom CG2 of residue 333
Atom C of residue 367
Atom C of residue 120
Atom N of residue 342
PRO
Atom SD of residue 398
Atom NE2 of residue 531
Atom C of residue 671
Atom O of residue 143
Atom CG2 of residue 271
Atom CG of residue 351
THR
GLU
Atom C of residue 325
Atom CA of residue 638
Atom CA of residue 199
Atom CG2 of residue 72
Atom OD1 of residue 141
Atom CD of residue 540
SER
ALA
Atom CA of residue 207
THR
Atom N of residue 253
Atom CG1 of residue 214
Atom OE1 of residue 153
Atom CB of residue 409
Atom N of residue 291
Atom N of residue 334
Atom CD1 of residue 190
Atom CB of residue 506
Atom CA of residue 223
Atom OG1 of residue 240
Atom OE1 of residue 90
Atom CA of residue 92
Atom NH2 of residue 469
Atom C of residue 80
Atom N of residue 299
Atom CA of residue 146
CYS
Atom C of residue 380
Atom C of residue 443
LEU
Atom C of residue 360
ALA
Atom OE2 of residue 262
Atom CA of residue 479
Atom CG of residue 395
Atom C of residue 612
Atom CB of residue 309
Atom N of residue 255
Atom CA of residue 79
Atom O of residue 103
GLY
Atom CD of residue 206
Atom O of residue 153
Atom N of residue 604
Atom CA of residue 420
Atom NE1 of residue 371
Atom C of residue 219
Atom O of residue 61
Atom C of residue 95
THR
Atom CZ of residue 34
Atom N of residue 595
Atom O of residue 293
Atom OD1 of residue 422
Atom CD of residue 160
GLY
Atom CB of residue 271
Atom OG of residue 404
Atom CE of residue 360
Atom CD of residue 78
Atom CD2 of residue 183
Atom CB of residue 207
PRO
Atom OD1 of residue 586
Atom CG2 of residue 214
Atom OD2 of residue 432
Atom C of residue 638
Atom CE3 of residue 566
Atom CB of residue 523
THR
Atom O of residue 514
Atom N of residue 343
Atom CA of residue 9
Atom C of residue 85
Atom CB of residue 143
Atom O of residue 282
Atom C of residue 324
Atom C of residue 231
Atom OE1 of residue 620
Atom O of residue 367
Atom CG2 of residue 428
Atom CG2 of residue 240
Atom CB of residue 92
Atom OG1 of residue 109
Atom C of residue 301
PHE
Atom N of residue 490
Atom OD1 of residue 317
VAL
Atom CD1 of residue 351
Atom C of residue 647
Atom CB of residue 420
Atom CA of residue 27
Atom OG of residue 129
Atom N of residue 162
Atom OD2 of residue 183
Atom O of residue 325
Atom N of residue 557
ALA
Atom N of residue 334
Atom CA of residue 498
Atom NE2 of residue 153
GLY
Atom CA of residue 334
Atom CE1 of residue 190
PRO
Atom CG2 of residue 655
Atom CG1 of residue 368
Atom OG of residue 191
Atom OH of residue 138
Atom C of residue 46
Atom N of residue 170
Atom CB of residue 247
Atom C of residue 199
Atom CD1 of residue 395
Atom O of residue 277
Atom CB of residue 153
Atom NH1 of residue 549
Atom CB of residue 146
Atom O of residue 123
Atom CD of residue 75
Atom NE2 of residue 436
Atom C of residue 262
Atom CB of residue 226
Atom N of residue 351
Atom CD1 of residue 271
Atom NZ of residue 258
Atom O of residue 612
Atom CG of residue 179
Atom NE2 of residue 90
Atom O of residue 120
ALA
Atom CA of residue 138
Atom O of residue 263
Atom NE of residue 89
Atom CE of residue 398
Atom CE2 of residue 371
Atom CA of residue 316
Atom O of residue 219
Atom C of residue 404
Atom CD2 of residue 461
GLN
Atom O of residue 442
Atom CA of residue 255
Atom CA of residue 383
Atom N of residue 470
Atom CD1 of residue 135
Atom OD2 of residue 285
Atom O of residue 360
Atom O of residue 80
Atom CA of residue 412
ALA
Atom CA of residue 629
Atom C of residue 79
Atom NZ of residue 360
Atom CB of residue 9
Atom N of residue 27
Atom CE1 of residue 183
Atom OD1 of residue 374
Atom ND2 of residue 586
Atom C of residue 214
Atom CG of residue 415
Atom CZ2 of residue 566
Atom C of residue 72
Atom CZ of residue 53
Atom OE1 of residue 206
ASP
PRO
Atom CD of residue 99
Atom N of residue 541
Atom O of residue 380
Atom CA of residue 436
Atom O of residue 231
Atom O of residue 671
Atom OE2 of residue 620
Atom C of residue 129
Atom N of residue 368
Atom C of residue 240
Atom CD2 of residue 84
Atom CG2 of residue 109
Atom CA of residue 198
LEU
Atom CB of residue 325
Atom O of residue 301
Atom CB of residue 116
Atom O of residue 95
SER
Atom NE of residue 160
Atom CD2 of residue 351
Atom CG of residue 271
Atom CB of residue 316
Atom C of residue 183
Atom N of residue 104
Atom CB of residue 123
Atom CB of residue 81
Atom O of residue 638
Atom C of residue 102
ILE
Atom CG1 of residue 523
Atom CB of residue 514
Atom CA of residue 291
Atom NH2 of residue 549
VAL
Atom CD of residue 38
Atom CB of residue 412
Atom OD2 of residue 422
Atom CB of residue 282
Atom CA of residue 18
Atom CB of residue 219
Atom C of residue 138
LYS
Atom CB of residue 612
Atom CA of residue 91
Atom CG of residue 92
Atom C of residue 138
Atom N of residue 264
Atom N of residue 399
Atom C of residue 307
Atom O of residue 404
Atom OG of residue 420
Atom N of residue 433
Atom CB of residue 181
Atom CG of residue 226
Atom N of residue 656
SER
THR
LEU
Atom C of residue 309
Atom CD1 of residue 179
Atom N of residue 121
Atom CA of residue 342
Atom CZ of residue 89
Atom O of residue 199
Atom O of residue 324
Atom C of residue 560
Atom C of residue 198
Atom O of residue 443
Atom CG of residue 9
Atom CG of residue 506
Atom CG2 of residue 368
Atom OH of residue 34
Atom N of residue 443
Atom C of residue 383
MET
Atom O of residue 46
Atom CD2 of residue 190
Atom ND2 of residue 317
Atom SG of residue 86
Atom CA of residue 299
Atom C of residue 629
Atom C of residue 360
Atom N of residue 62
Atom OD2 of residue 374
Atom CG of residue 146
SER
Atom C of residue 498
Atom N of residue 587
Atom N of residue 76
Atom N of residue 532
THR
Atom O of residue 262
Atom O of residue 72
Atom CA of residue 604
Atom CG1 of residue 143
Atom CG of residue 207
Atom CA of residue 541
GLN
Atom O of residue 647
Atom NE1 of residue 461
Atom CB of residue 671
ILE
Atom C of residue 316
Atom O of residue 129
ALA
Atom O of residue 85
Atom CB of residue 360
Atom NE2 of residue 247
Atom CA of residue 490
Atom N of residue 352
Atom CG1 of residue 233
Atom CA of residue 454
Atom N of residue 423
Atom N of residue 259
Atom CB of residue 18
ILE
Atom OG of residue 153
Atom CD1 of residue 85
Atom CA of residue 679
Atom OE2 of residue 206
Atom O of residue 138
Atom OE1 of residue 99
Atom N of residue 381
Atom C of residue 436
Atom CE1 of residue 436
Atom N of residue 272
Atom OG1 of residue 412
THR
Atom OH of residue 53
Atom O of residue 309
Atom N of residue 110
THR
Atom C of residue 153
Atom CA of residue 343
Atom CG of residue 116
Atom N of residue 96
Atom C of residue 428
Atom OH of residue 78
Atom CD2 of residue 135
Atom CD1 of residue 9
Atom CG of residue 181
Atom CA of residue 351
Atom N of residue 294
Atom CD2 of residue 179
Atom N of residue 192
Atom OD1 of residue 271
Atom CA of residue 253
Atom NH1 of residue 89
Atom CB of residue 638
Atom N of residue 318
Atom N of residue 515
Atom O of residue 214
Atom N of residue 232
Atom C of residue 291
Atom CD1 of residue 415
Atom CD of residue 506
Atom N of residue 278
Atom CB of residue 178
Atom C of residue 34
HIS
Atom O of residue 383
Atom CB of residue 647
Atom O of residue 198
Atom O of residue 138
Atom CE3 of residue 371
Atom O of residue 316
Atom CD2 of residue 395
Atom C of residue 454
Atom CA of residue 334
PRO
Atom CB of residue 342
Atom C of residue 285
Atom CA of residue 399
Atom CE2 of residue 183
Atom C of residue 490
Atom CD1 of residue 207
Atom CA of residue 595
Atom C of residue 679
Atom CB of residue 223
Atom O of residue 240
Atom N of residue 91
Atom N of residue 325
Atom O of residue 560
Atom CA of residue 76
ALA
Atom C of residue 420
Atom CE2 of residue 461
Atom CB of residue 199
Atom C of residue 299
Atom CG of residue 123
Atom CB of residue 443
Atom C of residue 343
Atom N of residue 672
Atom CA of residue 550
Atom CZ3 of residue 566
Atom O of residue 498
Atom CG of residue 325
Atom N of residue 47
Atom CD2 of residue 247
GLU
Atom CZ of residue 160
Atom CG of residue 612
Atom CG of residue 219
Atom CD1 of residue 92
Atom O of residue 629
Atom C of residue 253
Atom O of residue 360
GLY
Atom N of residue 82
GLY
Atom CA of residue 470
Atom CA of residue 170
Atom CB of residue 334
Atom N of residue 73
Atom OG1 of residue 18
Atom N of residue 405
Atom C of residue 604
Atom CB of residue 85
Atom CG2 of residue 143
Atom ND1 of residue 226
GLU
Atom C of residue 436
Atom CD2 of residue 146
Atom CA of residue 162
Atom C of residue 53
Atom N of residue 310
Atom CB of residue 560
Atom O of residue 153
PHE
Atom O of residue 454
Atom O of residue 428
Atom CB of residue 351
Atom C of residue 595
Atom N of residue 180
ASP
Atom N of residue 199
MET
Atom CA of residue 154
Atom O of residue 307
Atom CE2 of residue 190
Atom CB of residue 255
Atom O of residue 183
Atom CA of residue 207
Atom O of residue 461
Atom CA of residue 232
Atom N of residue 550
SER
Atom CB of residue 38
Atom CG1 of residue 223
Atom CG of residue 282
Atom OG1 of residue 178
Atom O of residue 34
Atom CA of residue 443
HIS
Atom CA of residue 104
Atom N of residue 648
Atom N of residue 139
Atom O of residue 436
Atom O of residue 102
ARG
Atom CD1 of residue 368
LYS
Atom O of residue 285
Atom CD1 of residue 116
Atom N of residue 621
Atom CZ of residue 183
Atom N of residue 375
Atom CG1 of residue 79
Atom N of residue 130
SER
Atom CA of residue 532
Atom CE3 of residue 461
Atom N of residue 263
Atom CD of residue 181
Atom CA of residue 264
Atom N of residue 302
Atom CA of residue 318
Atom CG2 of residue 523
VAL
Atom CA of residue 515
GLN
Atom N of residue 215
Atom CD1 of residue 143
Atom CE of residue 506
Atom O of residue 679
Atom CG of residue 334
VAL
Atom C of residue 395
Atom O of residue 231
Atom N of residue 136
Atom O of residue 253
Atom O of residue 490
Atom C of residue 389
Atom CA of residue 368
Atom N of residue 241
THR
Atom C of residue 342
Atom CB of residue 170
Atom CB of residue 27
Atom CB of residue 162
GLY
Atom CZ of residue 78
Atom OG1 of residue 560
Atom ND2 of residue 271
Atom CB of residue 454
Atom CD2 of residue 92
Atom CH2 of residue 566
Atom O of residue 53
Atom CA of residue 310
Atom CG2 of residue 178
Atom O of residue 299
Atom CA of residue 230
Atom CB of residue 498
Atom CA of residue 154
VAL
Atom O of residue 291
Atom CG of residue 360
Atom CB of residue 307
Atom C of residue 479
Atom CD of residue 612
Atom N of residue 429
Atom N of residue 630
Atom CB of residue 138
Atom N of residue 154
Atom CA of residue 672
Atom CG of residue 38
Atom C of residue 334
Atom CG2 of residue 223
Atom CA of residue 648
Atom CB of residue 436
Atom CZ of residue 190
Atom CD1 of residue 146
ILE
Atom CA of residue 294
Atom N of residue 184
Atom N of residue 444
ASN
GLY
Atom O of residue 604
VAL
Atom CD2 of residue 415
Atom CD2 of residue 226
Atom CA of residue 278
Atom CD of residue 282
Atom CB of residue 383
GLY
Atom CZ2 of residue 371
PHE
Atom CA of residue 272
Atom NH1 of residue 160
Atom N of residue 369
Atom CA of residue 110
Atom CD1 of residue 387
TYR
ASP
Atom CE1 of residue 116
GLN
Atom CG of residue 255
Atom CA of residue 121
Atom CD1 of residue 325
Atom CB of residue 461
Atom C of residue 532
Atom N of residue 317
Atom CZ2 of residue 461
Atom OG of residue 351
Atom O of residue 595
Atom CB of residue 679
Atom CA of residue 199
Atom NH2 of residue 89
Atom CA of residue 96
Atom CB of residue 102
Atom C of residue 259
Atom O of residue 71
Atom C of residue 470
Atom CB of residue 253
Atom CA of residue 587
Atom CA of residue 215
Atom CG of residue 638
Atom CD1 of residue 523
Atom ND1 of residue 443
PHE
Atom OG1 of residue 162
Atom CA of residue 381
LYS
Atom N of residue 286
Atom O of residue 343
CYS
Atom CD of residue 334
VAL
Atom CA of residue 656
Atom O of residue 395
Atom CD2 of residue 207
Atom CG2 of residue 412
Atom CB of residue 294
ARG
Atom CA of residue 241
Atom CD2 of residue 9
Atom OG1 of residue 170
Atom CG of residue 85
Atom CA of residue 62
Atom N of residue 416
Atom CA of residue 352
Atom C of residue 271
Atom CD1 of residue 123
Atom C of residue 264
Atom CG of residue 436
Atom O of residue 420
Atom CG of residue 199
Atom C of residue 92
TYR
Atom N of residue 207
Atom NZ of residue 506
Atom N of residue 54
Atom CD of residue 219
Atom CB of residue 121
Atom N of residue 292
Atom OD1 of residue 360
Atom N of residue 308
Atom O of residue 479
Atom CA of residue 423
Atom C of residue 91
Atom N of residue 35
Atom CB of residue 104
PRO
ILE
Atom CE1 of residue 247
Atom CB of residue 490
Atom C of residue 38
LEU
Atom N of residue 361
Atom CA of residue 182
Atom NE1 of residue 146
Atom CA of residue 73
Atom C of residue 541
Atom CA of residue 630
TYR
Atom C of residue 76
ILE
Atom C of residue 272
VAL
Atom O of residue 342
Atom CG of residue 138
Atom C of residue 656
Atom SG of residue 679
Atom NH2 of residue 160
ILE
Atom CD2 of residue 387
Atom CA of residue 621
Atom CB of residue 96
Atom CG2 of residue 18
GLU
Atom N of residue 154
Atom C of residue 672
Atom CZ3 of residue 461
Atom N of residue 524
Atom OH of residue 183
Atom CG2 of residue 79
Atom ND1 of residue 381
Atom CB of residue 71
Atom C of residue 230
LEU
Atom C of residue 587
Atom CB of residue 343
Atom CB of residue 604
Atom CZ3 of residue 371
Atom CD1 of residue 638
Atom N of residue 567
Atom CB of residue 278
Atom C of residue 423
Atom N of residue 283
Atom CG of residue 443
Atom CA of residue 325
Atom OG of residue 383
Atom CA of residue 317
Atom O of residue 389
Atom CG of residue 498
Atom CA of residue 47
Atom C of residue 178
Atom CD of residue 255
Atom CG of residue 461
Atom O of residue 532
Atom C of residue 62
Atom CD2 of residue 116
Atom C of residue 351
Atom CB of residue 595
Atom C of residue 412
Atom C of residue 352
Atom CB of residue 299
Atom CG2 of residue 560
Atom CD2 of residue 123
Atom N of residue 421
Atom CA of residue 302
Atom O of residue 436
Atom CD of residue 199
Atom CB of residue 479
Atom CG of residue 454
ASN
Atom C of residue 515
Atom CG2 of residue 27
Atom C of residue 104
Atom O of residue 334
Atom OE1 of residue 219
Atom CG of residue 121
Atom CA of residue 308
GLN
THR
Atom C of residue 154
Atom C of residue 247
Atom N of residue 396
Atom CE1 of residue 207
Atom OE1 of residue 612
Atom O of residue 91
Atom C of residue 110
Atom N of residue 343
Atom C of residue 89
ASP
Atom C of residue 399
Atom C of residue 550
Atom CA of residue 144
Atom CA of residue 416
Atom CE2 of residue 146
Atom CB of residue 325
Atom CA of residue 184
Atom CA of residue 136
Atom O of residue 264
Atom C of residue 9
SER
Atom CA of residue 263
Atom CE1 of residue 226
Atom O of residue 272
Atom C of residue 223
Atom CA of residue 180
Atom CD of residue 138
Atom CA of residue 54
Atom N of residue 161
Atom CA of residue 369
Atom C of residue 192
Atom O of residue 470
GLN
GLY
Atom OD2 of residue 360
Atom C of residue 621
Atom N of residue 80
Atom N of residue 78
Atom C of residue 18
Atom N of residue 300
SER
Atom CD of residue 85
ALA
TRP
Atom N of residue 184
Atom CE of residue 334
Atom CB of residue 389
Atom CB of residue 334
PHE
Atom CA of residue 139
Atom CG of residue 343
Atom CH2 of residue 371
Atom CD2 of residue 638
GLU
Atom O of residue 423
Atom CD1 of residue 436
Atom CG of residue 96
Atom O of residue 259
Atom O of residue 92
Atom C of residue 387
Atom N of residue 124
Atom CD2 of residue 325
Atom CB of residue 47
Atom CB of residue 232
Atom OG of residue 278
Atom CG of residue 294
Atom O of residue 62
GLY
Atom O of residue 309
Atom O of residue 104
Atom CG2 of residue 104
Atom CD of residue 121
ASN
Atom CB of residue 302
Atom N of residue 437
Atom CG of residue 479
Atom O of residue 38
Atom O of residue 412
Atom CG of residue 71
Atom C of residue 207
Atom O of residue 587
Atom CB of residue 215
ILE
Atom CB of residue 73
LEU
Atom O of residue 541
Atom CB of residue 310
Atom NE2 of residue 219
Atom O of residue 89
Atom CA of residue 405
Atom N of residue 144
Atom CA of residue 375
Atom N of residue 507
Atom N of residue 561
Atom CD of residue 498
Atom CG of residue 253
Atom CB of residue 264
Atom CA of residue 444
Atom CA of residue 286
Atom C of residue 274
Atom OH of residue 190
Atom N of residue 680
Atom CG2 of residue 162
THR
Atom OE2 of residue 612
Atom NE2 of residue 255
Atom CD of residue 139
Atom CA of residue 361
Atom O of residue 399
Atom CB of residue 532
Atom CB of residue 263
Atom CE2 of residue 207
Atom O of residue 352
Atom CA of residue 429
Atom OG1 of residue 325
Atom CB of residue 470
Atom C of residue 136
Atom O of residue 76
Atom NE of residue 199
Atom C of residue 233
Atom C of residue 180
Atom O of residue 271
Atom CE1 of residue 325
Atom O of residue 515
Atom C of residue 318
Atom O of residue 656
Atom CA of residue 524
ILE
Atom CB of residue 241
PRO
Atom CG2 of residue 170
Atom CA of residue 292
ALA
Atom CB of residue 443
Atom N of residue 384
SER
Atom CB of residue 423
Atom O of residue 110
LEU
Atom CD1 of residue 96
Atom OG of residue 490
Atom CA of residue 130
Atom N of residue 390
Atom CG1 of residue 334
Atom N of residue 260
Atom CB of residue 541
Atom CA of residue 35
Atom CB of residue 184
Atom C of residue 648
Atom CB of residue 405
Atom OD1 of residue 343
Atom CG1 of residue 232
Atom CG1 of residue 27
Atom CH2 of residue 461
Atom N of residue 639
Atom N of residue 63
Atom CE2 of residue 116
Atom CB of residue 104
Atom CD of residue 454
Atom N of residue 93
Atom C of residue 369
Atom O of residue 192
Atom CG1 of residue 104
VAL
Atom O of residue 9
Atom O of residue 672
Atom N of residue 361
Atom O of residue 621
Atom O of residue 247
Atom CB of residue 429
Atom CG of residue 381
Atom OG1 of residue 264
Atom OE1 of residue 85
Atom CD of residue 294
Atom C of residue 406
Atom O of residue 234
Atom O of residue 274
Atom CA of residue 421
HIS
Atom CG2 of residue 263
Atom NE2 of residue 226
Atom O of residue 318
Atom O of residue 18
Atom C of residue 444
Atom C of residue 278
Atom N of residue 90
Atom CB of residue 399
Atom CG of residue 604
GLU
Atom C of residue 375
LEU
Atom O of residue 223
Atom O of residue 178
GLY
Atom C of residue 190
Atom CA of residue 567
Atom C of residue 162
Atom CB of residue 84
Atom C of residue 630
Atom OE1 of residue 255
Atom CB of residue 139
Atom CB of residue 361
Atom CA of residue 309
Atom CB of residue 656
Atom O of residue 136
Atom O of residue 154
Atom CB of residue 317
Atom N of residue 82
Atom O of residue 351
Atom N of residue 39
Atom OG of residue 595
Atom N of residue 272
Atom O of residue 207
Atom CD2 of residue 406
Atom CB of residue 587
Atom O of residue 550
Atom NZ of residue 334
Atom CE3 of residue 146
Atom CG2 of residue 73
Atom CD of residue 71
Atom CA of residue 343
Atom C of residue 371
Atom CB of residue 130
Atom CB of residue 272
Atom CA of residue 283
Atom CA of residue 300
GLY
Atom CB of residue 199
Atom N of residue 139
Atom N of residue 77
Atom CD2 of residue 436
Atom CG2 of residue 232
complex-2d.pdb
ARG
Atom N of residue 220
Atom CB of residue 91
Atom O of residue 387
Atom CA of residue 184
Atom N of residue 491
Atom CZ of residue 207
Atom CA of residue 390
THR
Atom N of residue 353
Atom CG of residue 541
Atom CG of residue 470
Atom CG of residue 405
Atom CB of residue 154
Atom CZ of residue 199
Atom CG of residue 241
Atom O of residue 180
Atom CB of residue 515
SER
Atom CZ of residue 116
Atom CA of residue 396
Atom C of residue 524
Atom N of residue 413
Atom CD1 of residue 253
Atom N of residue 10
Atom C of residue 170
Atom C of residue 292
Atom N of residue 248
Atom CB of residue 318
Atom N of residue 613
Atom CB of residue 35
Atom CD1 of residue 27
Atom CG2 of residue 81
Atom OE1 of residue 294
Atom CA of residue 176
Atom CB of residue 381
Atom CB of residue 110
TYR
Atom CB of residue 286
Atom CG of residue 47
Atom CA of residue 437
Atom N of residue 227
Atom CG of residue 184
Atom CE2 of residue 325
Atom OD2 of residue 343
Atom N of residue 462
Atom CG of residue 139
Atom CG of residue 215
Atom CG of residue 399
Atom CD of residue 604
Atom CG of residue 302
Atom O of residue 375
Atom C of residue 308
Atom CD of residue 479
Atom CA of residue 507
Atom N of residue 179
Atom O of residue 369
Atom CB of residue 192
Atom CD1 of residue 104
Atom CB of residue 136
Atom CB of residue 274
Atom CB of residue 621
Atom O of residue 190
Atom C of residue 283
Atom CG of residue 429
Atom NE2 of residue 443
Atom OE1 of residue 498
LEU
Atom CB of residue 550
Atom CG1 of residue 656
Atom OE1 of residue 454
Atom CG of residue 310
Atom O of residue 648
Atom CA of residue 124
Atom CG1 of residue 263
Atom N of residue 352
Atom CA of residue 39
Atom N of residue 596
Atom N of residue 224
Atom N of residue 19
TYR
Atom CA of residue 86
Atom OG of residue 317
ALA
Atom CG2 of residue 334
Atom O of residue 630
Atom OE1 of residue 121
Atom O of residue 444
Atom CG1 of residue 672
Atom O of residue 371
Atom CG1 of residue 130
Atom CB of residue 396
Atom CG2 of residue 325
HIS
Atom OG of residue 154
Atom C of residue 416
Atom C of residue 567
ALA
TRP
Atom CG of residue 199
Atom CG of residue 361
ARG
Atom OG1 of residue 286
Atom CB of residue 154
Atom N of residue 533
Atom O of residue 162
Atom CB of residue 207
Atom C of residue 144
Atom O of residue 278
Atom CG of residue 104
Atom CG1 of residue 73
Atom CA of residue 413
Atom CA of residue 353
Atom OG of residue 91
Atom N of residue 71
Atom CD1 of residue 47
PRO
Atom CG of residue 272
Atom CA of residue 161
HIS
Atom CD of residue 310
Atom C of residue 300
Atom C of residue 27
Atom NE2 of residue 381
Atom OD1 of residue 302
Atom C of residue 184
Atom CB of residue 375
Atom C of residue 334
GLY
Atom CA of residue 384
Atom CG2 of residue 264
Atom OE2 of residue 85
Atom C of residue 309
Atom CG1 of residue 423
Atom CB of residue 180
Atom CG of residue 35
Atom N of residue 605
Atom CB of residue 421
VAL
Atom CA of residue 260
LEU
Atom C of residue 104
Atom CB of residue 648
TRP
Atom CD2 of residue 96
LYS
Atom CB of residue 54
Atom CD2 of residue 443
Atom C of residue 255
Atom OE2 of residue 498
Atom CA of residue 63
Atom O of residue 292
Atom CA of residue 361
Atom CG1 of residue 550
Atom CD of residue 215
Atom ND1 of residue 437
Atom CG2 of residue 130
THR
ILE
Atom CA of residue 272
Atom N of residue 344
Atom CZ2 of residue 146
Atom CD of residue 541
Atom CD1 of residue 184
Atom C of residue 69
Atom SD of residue 470
Atom CD1 of residue 199
Atom CA of residue 90
Atom N of residue 480
Atom C of residue 325
Atom N of residue 191
CYS
Atom O of residue 283
Atom CD of residue 429
Atom CB of residue 369
Atom N of residue 388
THR
SER
Atom CA of residue 491
Atom CA of residue 657
Atom C of residue 207
Atom CG of residue 110
Atom OE2 of residue 121
Atom OD1 of residue 405
ASN
Atom CG of residue 421
Atom C of residue 232
SER
LEU
Atom OE1 of residue 181
Atom O of residue 524
ILE
Atom CA of residue 561
Atom CD2 of residue 253
Atom NH1 of residue 199
Atom O of residue 416
Atom CD1 of residue 334
Atom CB of residue 630
Atom CZ of residue 325
Atom CG of residue 587
Atom O of residue 170
Atom CG2 of residue 672
Atom O of residue 144
Atom CA of residue 639
Atom CA of residue 613
Atom CD of residue 343
Atom SD of residue 399
Atom N of residue 437
Atom OG of residue 274
Atom C of residue 100
Atom O of residue 27
Atom OD1 of residue 361
Atom SG of residue 375
Atom O of residue 334
Atom CG of residue 318
Atom C of residue 384
Atom CA of residue 139
Atom CG2 of residue 286
Atom CD1 of residue 263
Atom OE2 of residue 294
Atom N of residue 163
Atom C of residue 161
THR
Atom CD1 of residue 241
Atom CA of residue 220
Atom CG2 of residue 180
Atom CA of residue 93
Atom CD of residue 35
Atom C of residue 124
Atom CB of residue 444
GLY
Atom O of residue 104
Atom CG of residue 515
Atom CA of residue 248
Atom OG1 of residue 54
Atom N of residue 81
Atom N of residue 265
Atom N of residue 372
Atom CG2 of residue 423
Atom CG of residue 136
Atom CG1 of residue 154
Atom CG of residue 437
Atom O of residue 184
Atom CB of residue 416
Atom O of residue 567
Atom CA of residue 352
Atom O of residue 207
Atom CA of residue 596
Atom CA of residue 680
Atom C of residue 154
Atom CG2 of residue 656
Atom O of residue 69
Atom N of residue 254
GLY
Atom CA of residue 227
Atom CA of residue 480
Atom CD1 of residue 73
Atom CD of residue 272
Atom NE2 of residue 454
Atom N of residue 86
Atom CE1 of residue 96
Atom C of residue 390
Atom CD of residue 104
Atom OE2 of residue 429
Atom O of residue 255
Atom CG of residue 192
Atom C of residue 561
GLN
Atom C of residue 139
Atom N of residue 293
Atom C of residue 361
Atom CA of residue 551
Atom CG of residue 621
Atom C of residue 507
Atom OG of residue 396
Atom CA of residue 179
Atom CB of residue 93
Atom CD of residue 110
Atom CB of residue 343
Atom CA of residue 533
Atom N of residue 171
Atom C of residue 116
Atom OE2 of residue 181
Atom C of residue 82
Atom CZ3 of residue 146
Atom CB of residue 524
Atom CA of residue 224
Atom CE of residue 470
Atom CB of residue 272
Atom C of residue 317
Atom NH2 of residue 199
Atom N of residue 542
Atom CD of residue 587
Atom CA of residue 77
Atom C of residue 639
THR
Atom NE of residue 310
Atom N of residue 499
Atom C of residue 139
THR
ALA
Atom CB of residue 567
Atom C of residue 680
Atom C of residue 294
Atom C of residue 260
Atom CG2 of residue 54
Atom CB of residue 283
Atom N of residue 92
Atom C of residue 361
Atom N of residue 279
Atom O of residue 384
Atom OD1 of residue 421
Atom CB of residue 672
Atom CB of residue 63
Atom CD2 of residue 381
Atom C of residue 121
Atom CG of residue 444
Atom CA of residue 10
Atom C of residue 39
Atom CA of residue 19
Atom O of residue 325
Atom CD2 of residue 184
Atom CG of residue 207
Atom OH of residue 325
Atom CD1 of residue 515
Atom CD2 of residue 47
Atom CA of residue 462
Atom CG1 of residue 416
Atom C of residue 613
Atom CB of residue 90
Atom CE of residue 399
ASN
Atom N of residue 657
Atom CD2 of residue 241
Atom CG1 of residue 369
Atom CG of residue 648
Atom OE1 of residue 215
Atom OD2 of residue 302
Atom C of residue 130
Atom CD1 of residue 318
Atom N of residue 208
Atom O of residue 154
Atom CG2 of residue 550
GLU
Atom O of residue 300
Atom ND2 of residue 405
Atom O of residue 232
Atom C of residue 396
Atom C of residue 73
Atom NE of residue 272
Atom CZ of residue 84
Atom CG1 of residue 180
Atom CB of residue 69
THR
ASP
Atom O of residue 161
Atom OD1 of residue 192
Atom O of residue 561
GLN
Atom CD of residue 621
Atom CB of residue 248
Chain P
Atom N of residue 335
Atom O of residue 507
Atom CB of residue 179
Atom CG of residue 93
Atom CE1 of residue 443
Atom CD2 of residue 199
Atom CB of residue 10
Atom O of residue 116
Atom CB of residue 231
Atom CH2 of residue 146
Atom C of residue 353
Atom N of residue 424
Atom N of residue 471
Atom C of residue 286
Atom CB of residue 184
Atom C of residue 491
Atom CA of residue 542
Atom CA of residue 254
Atom OE1 of residue 587
Atom C of residue 77
Atom C of residue 220
ARG
Atom CG of residue 343
Atom O of residue 124
Atom N of residue 275
Atom CA of residue 191
Atom CG of residue 567
Atom O of residue 680
GLU
Atom OE1 of residue 35
Atom O of residue 139
TYR
Atom O of residue 361
Atom O of residue 317
ARG
Atom CB of residue 19
Atom OE1 of residue 429
Atom CE of residue 110
Atom C of residue 533
Atom N of residue 28
Atom NE of residue 104
Atom CA of residue 388
Atom CG of residue 272
Atom CD of residue 136
Atom CG2 of residue 154
Atom CB of residue 437
Atom N of residue 376
Atom C of residue 263
Atom N of residue 200
Atom N of residue 455
Atom O of residue 390
Atom CG of residue 630
Atom CE1 of residue 184
Atom OD1 of residue 207
Atom CD2 of residue 515
Atom O of residue 639
Atom CB of residue 144
Atom O of residue 139
Atom CA of residue 605
Atom CA of residue 400
Atom N of residue 551
Atom CE2 of residue 96
Atom C of residue 227
Atom CE1 of residue 381
Atom N of residue 105
Atom O of residue 491
Atom N of residue 182
Atom O of residue 613
Atom N of residue 326
Atom OD2 of residue 361
Atom CA of residue 437
VAL
Atom N of residue 525
Atom CB of residue 413
TYR
Atom CB of residue 507
Atom O of residue 396
Atom CB of residue 352
Atom C of residue 596
Atom CB of residue 224
Atom CG of residue 179
Atom CD2 of residue 93
Atom N of residue 326
Atom CE1 of residue 47
Atom C of residue 462
Atom N of residue 335
Atom CB of residue 161
Atom OD2 of residue 192
ASN
Atom CA of residue 344
Atom OE1 of residue 621
Atom CA of residue 335
Atom CZ of residue 310
Atom CE1 of residue 241
Atom CG2 of residue 369
Atom C of residue 443
Atom CD1 of residue 648
Atom OG of residue 10
Atom C of residue 302
Atom N of residue 233
Atom N of residue 117
Atom CA of residue 62
Atom CA of residue 208
Atom C of residue 54
Atom CZ of residue 66
Atom CB of residue 124
Atom ND2 of residue 421
Atom CA of residue 372
Atom O of residue 260
Atom CA of residue 424
Atom CB of residue 139
LEU
Atom NE2 of residue 587
Atom C of residue 405
Atom C of residue 605
Atom O of residue 77
Atom CA of residue 279
Atom O of residue 73
Atom CA of residue 163
Atom CA of residue 499
Atom CD1 of residue 444
GLN
Atom OG of residue 63
Atom CZ of residue 104
Atom O of residue 353
Atom NE2 of residue 35
Atom O of residue 121
Atom CA of residue 293
Atom CG of residue 248
Atom CZ of residue 96
Atom CD2 of residue 318
LEU
Atom N of residue 256
Atom N of residue 385
Atom OG1 of residue 352
Atom O of residue 596
Atom CG2 of residue 19
Atom CG of residue 90
Atom O of residue 263
Atom O of residue 130
Atom O of residue 39
THR
Atom CD1 of residue 630
Atom CE1 of residue 515
Atom ND2 of residue 207
Atom N of residue 155
Atom CG2 of residue 416
Atom CB of residue 410
Atom C of residue 86
Atom N of residue 318
Atom CB of residue 191
VAL
Atom CG of residue 283
Atom N of residue 181
Atom NZ of residue 110
Atom N of residue 140
Atom NE2 of residue 215
Atom C of residue 437
SER
Atom CG of residue 144
GLY
Atom CG1 of residue 161
Atom CA of residue 92
Atom CB of residue 388
Atom C of residue 199
Atom CD1 of residue 154
SER
Atom CG of residue 184
ASN
Atom C of residue 146
ALA
Atom CD1 of residue 272
SER
Atom C of residue 10
SER
Atom CB of residue 639
ALA
Atom CB of residue 613
ILE
Atom CB of residue 300
Atom N of residue 562
Atom N of residue 193
Atom C of residue 343
Atom CE2 of residue 47
Atom C of residue 344
Atom C of residue 63
Atom NE2 of residue 621
Atom CB of residue 372
Atom CZ of residue 272
Atom CB of residue 390
Atom CB of residue 260
Atom O of residue 220
LYS
Atom CE of residue 136
Atom CB of residue 491
Atom C of residue 480
Atom CD of residue 567
Atom CA of residue 81
Atom CB of residue 163
VAL
Atom O of residue 302
Atom CB of residue 361
ARG
Atom CD1 of residue 90
Atom O of residue 405
Atom O of residue 286
Atom O of residue 533
Atom NE2 of residue 437
Atom CE1 of residue 318
Atom CB of residue 279
Atom O of residue 294
Atom C of residue 429
Atom CA of residue 275
Atom O of residue 462
Atom CB of residue 680
ASP
Atom N of residue 36
Atom CA of residue 171
Atom CA of residue 455
GLY
Atom N of residue 400
PRO
Atom O of residue 227
Atom C of residue 381
Atom CG1 of residue 124
Atom CG of residue 410
Atom C of residue 542
Atom N of residue 208
Atom O of residue 605
Atom CG of residue 507
ARG
Atom N of residue 74
Atom SG of residue 413
Atom C of residue 499
Atom CD2 of residue 444
Atom O of residue 361
VAL
Atom N of residue 397
Atom CB of residue 353
Atom C of residue 92
Atom O of residue 443
Atom CD2 of residue 648
Atom O of residue 199
Atom CA of residue 265
Atom CA of residue 318
Atom CD2 of residue 248
Atom CE2 of residue 72
Atom C of residue 182
Atom N of residue 40
Atom CG of residue 224
Atom OG1 of residue 260
Atom CD1 of residue 283
Atom NH1 of residue 310
THR
ARG
Atom O of residue 437
Atom C of residue 293
Atom CD1 of residue 416
Atom CG2 of residue 352
Atom CB of residue 596
Atom CA of residue 155
Atom CG of residue 361
Atom N of residue 264
Atom O of residue 146
Atom CD1 of residue 179
Atom CD2 of residue 630
Atom CB of residue 220
Atom NZ of residue 136
GLY
Atom CB of residue 171
Atom NH1 of residue 104
Atom CE2 of residue 184
Atom O of residue 63
Atom CA of residue 335
Atom CE2 of residue 241
Atom CG of residue 372
Atom C of residue 191
Atom CD1 of residue 369
GLU
Atom CA of residue 111
Atom CA of residue 525
Atom C of residue 413
Atom CG of residue 163
Atom CG of residue 139
Atom CD2 of residue 90
Atom N of residue 406
Atom N of residue 287
Atom CB of residue 533
Atom CB of residue 77
Atom C of residue 421
Atom CD2 of residue 437
Atom CD1 of residue 184
Atom N of residue 131
Atom N of residue 391
Atom C of residue 215
Atom N of residue 228
Atom CD of residue 224
Atom N of residue 301
GLN
Atom N of residue 122
CYS
TYR
Atom CZ of residue 47
Atom O of residue 344
Atom N of residue 410
Atom C of residue 455
Atom O of residue 54
Atom CA of residue 256
Atom CA of residue 471
Atom CA of residue 326
LEU
Atom CA of residue 233
Atom CA of residue 117
Atom OE1 of residue 567
Atom N of residue 295
Atom CG2 of residue 124
Atom C of residue 254
Atom N of residue 303
Atom CD of residue 410
ASP
Atom CB of residue 462
Atom CE1 of residue 648
HIS
Atom CG of residue 279
Atom CG2 of residue 161
Atom O of residue 429
Atom CG of residue 388
Atom CD2 of residue 272
Atom CA of residue 445
Atom CB of residue 437
Atom C of residue 275
Atom CG of residue 171
Atom CA of residue 200
Atom CG of residue 680
Atom CG of residue 613
Atom N of residue 444
Atom C of residue 265
Atom C of residue 84
Atom NE1 of residue 248
Atom CE3 of residue 72
Atom CB of residue 182
Atom CD2 of residue 283
Atom O of residue 92
Atom CG of residue 491
Atom C of residue 96
Atom C of residue 657
Atom CA of residue 417
Atom CD1 of residue 93
Atom N of residue 155
Atom O of residue 86
Atom CD1 of residue 361
Atom OD2 of residue 238
Atom CD2 of residue 179
Atom N of residue 200
Atom CA of residue 137
Atom CA of residue 155
Atom N of residue 606
Atom CA of residue 28
Atom OD1 of residue 372
Atom CA of residue 376
Atom CD of residue 144
Atom CD1 of residue 507
Atom NH2 of residue 104
Atom CA of residue 74
Atom CA of residue 326
Atom CZ of residue 184
Atom C of residue 471
Atom O of residue 343
Atom C of residue 326
Atom N of residue 588
Atom N of residue 362
Atom O of residue 480
SER
Atom NH1 of residue 272
Atom CD of residue 163
Atom CG2 of residue 353
Atom CG1 of residue 19
Atom O of residue 499
Atom CA of residue 261
Atom N of residue 370
Atom CA of residue 181
Atom O of residue 381
HIS
Atom O of residue 293
Atom CE2 of residue 85
Atom O of residue 413
Atom O of residue 141
Atom CA of residue 105
Atom CD of residue 388
SER
Atom O of residue 421
SER
VAL
Atom CA of residue 391
Atom NE1 of residue 630
Atom N of residue 221
Atom CA of residue 140
Atom CE of residue 224
Atom CA of residue 36
Atom CE2 of residue 515
Atom CG of residue 639
Atom C of residue 409
Atom O of residue 455
Atom C of residue 335
Atom C of residue 525
Atom N of residue 55
Atom O of residue 10
Atom O of residue 191
LEU
Atom N of residue 125
Atom CD1 of residue 171
Atom OG of residue 462
Atom C of residue 335
Atom C of residue 352
Atom CG1 of residue 596
Atom CB of residue 326
Atom CG of residue 533
Atom OG1 of residue 77
Atom O of residue 542
Atom CB of residue 92
GLN
Atom CE1 of residue 272
Atom N of residue 445
PHE
Atom O of residue 96
THR
Atom C of residue 200
Atom N of residue 147
Atom O of residue 265
Atom CB of residue 140
VAL
Atom O of residue 254
Atom CB of residue 344
Atom CB of residue 86
Atom CG1 of residue 182
Atom N of residue 284
Atom CZ of residue 241
Atom C of residue 256
Atom CD of residue 117
Atom C of residue 551
Atom N of residue 622
LYS
Atom NH2 of residue 310
Atom N of residue 111
Atom CE1 of residue 90
Atom O of residue 215
PRO
THR
Atom CB of residue 208
Atom N of residue 239
Atom CG2 of residue 260
Atom CB of residue 28
Atom CA of residue 298
Atom C of residue 376
Atom OE1 of residue 144
Atom CD of residue 279
Atom CA of residue 105
Atom CD1 of residue 161
CYS
Atom O of residue 471
Atom N of residue 344
Atom ND1 of residue 139
CYS
Atom O of residue 275
Atom CB of residue 480
Atom CE2 of residue 318
Atom NH2 of residue 272
HIS
SER
Atom OG1 of residue 353
Atom CD1 of residue 19
Atom O of residue 369
HIS
Atom CA of residue 385
Atom O of residue 326
Atom O of residue 82
Atom CA of residue 606
GLY
Atom N of residue 382
Atom CA of residue 193
Atom N of residue 64
Atom CD1 of residue 248
Atom NE1 of residue 72
Atom N of residue 414
Atom CB of residue 105
Atom OE1 of residue 388
SER
Atom CA of residue 287
Atom C of residue 400
Atom CB of residue 233
Atom CD2 of residue 361
Atom CA of residue 264
Atom C of residue 424
Atom CA of residue 221
Atom CB of residue 254
Atom CD2 of residue 184
Atom CB of residue 36
Atom CZ of residue 515
Atom N of residue 137
Atom CD of residue 639
Atom O of residue 335
GLY
Atom CB of residue 499
Atom CG of residue 208
Atom CD of residue 680
Atom CB of residue 293
Atom CB of residue 265
Atom N of residue 422
Atom CG1 of residue 326
Atom OH of residue 184
Atom CA of residue 562
PRO
Atom CE1 of residue 437
LYS
Atom C of residue 179
TYR
Atom CA of residue 208
Atom OH of residue 47
Atom OG1 of residue 86
Atom CA of residue 131
Atom N of residue 273
Atom O of residue 525
Atom N of residue 261
Atom OG1 of residue 437
VAL
Atom CA of residue 295
Atom CB of residue 542
Atom CB of residue 471
ILE
Atom CA of residue 125
Atom C of residue 155
Atom CD of residue 491
Atom N of residue 417
Atom ND1 of residue 613
TYR
Atom OD1 of residue 533
Atom O of residue 376
Atom O of residue 657
Atom CA of residue 162
Atom CA of residue 588
Atom CG of residue 480
Atom CZ of residue 318
Atom CD2 of residue 507
Atom O of residue 200
Atom CA of residue 40
Atom OE1 of residue 163
Atom NE1 of residue 93
SER
Atom CA of residue 444
Atom O of residue 256
Atom C of residue 385
Atom CB of residue 140
Atom N of residue 216
Atom N of residue 11
Atom CA of residue 303
Atom CG2 of residue 182
Atom NZ of residue 224
Atom CA of residue 370
THR
Atom CA of residue 122
Atom C of residue 193
Atom CG of residue 254
Atom CA of residue 406
Atom CA of residue 228
Atom O of residue 335
Atom N of residue 430
Atom CE2 of residue 90
Atom CB of residue 117
Atom N of residue 336
Atom OE2 of residue 567
Atom O of residue 424
Atom C of residue 241
Atom OG of residue 28
Atom C of residue 298
Atom N of residue 463
Atom N of residue 185
Atom OD1 of residue 208
Atom CE2 of residue 630
Atom CE2 of residue 648
SER
Atom N of residue 516
LEU
LEU
Atom CG2 of residue 77
Atom N of residue 640
Atom CB of residue 455
Atom CB of residue 74
Atom CB of residue 295
Atom N of residue 370
Atom NE of residue 680
Atom C of residue 310
Atom CA of residue 301
GLY
Atom ND2 of residue 372
Atom N of residue 97
ASN
Atom C of residue 19
Atom CG of residue 105
Atom CA of residue 200
Atom CG of residue 265
Atom CB of residue 287
Atom C of residue 47
Atom O of residue 352
Atom CG2 of residue 596
Atom CG of residue 92
Atom C of residue 184
Atom C of residue 562
Atom C of residue 445
LYS
Atom C of residue 437
ALA
Atom C of residue 208
Atom OE2 of residue 144
Atom CB of residue 335
Atom C of residue 391
Atom CB of residue 275
Atom CB of residue 303
Atom CA of residue 622
Atom CB of residue 376
Atom CG of residue 78
Atom CB of residue 657
Atom N of residue 183
Atom CA of residue 397
Atom N of residue 362
Atom CB of residue 318
Atom NE of residue 491
Atom N of residue 192
TRP
HIS
Atom C of residue 228
Atom CA of residue 55
VAL
Atom CD2 of residue 613
Atom CA of residue 362
LEU
THR
Atom O of residue 551
Atom CB of residue 131
Atom CA of residue 273
Atom NE2 of residue 388
Atom C of residue 588
Atom CE2 of residue 248
Atom CB of residue 264
Atom N of residue 508
Atom CB of residue 40
Atom N of residue 354
Atom O of residue 179
Atom CE2 of residue 93
Atom C of residue 301
Atom O of residue 385
Atom CE2 of residue 272
Atom OG of residue 233
Atom CD2 of residue 171
Atom CA of residue 87
Atom CB of residue 525
Atom CB of residue 424
Atom CB of residue 122
Atom CG of residue 499
Atom CG of residue 344
Atom CA of residue 147
ARG
Atom C of residue 111
ALA
Atom N of residue 78
Atom C of residue 105
Atom O of residue 241
Atom CD2 of residue 139
LEU
Atom O of residue 310
Atom CE3 of residue 630
Atom CZ of residue 648
Atom CA of residue 344
Atom O of residue 400
Atom C of residue 28
GLY
Atom N of residue 319
Atom CB of residue 200
Atom CB of residue 397
Atom NE of residue 279
Atom OE2 of residue 163
Atom N of residue 257
Atom CB of residue 326
Atom CG of residue 318
Atom N of residue 568
Atom CZ of residue 680
Atom C of residue 224
Atom C of residue 370
Atom ND1 of residue 444
Atom O of residue 562
Atom O of residue 193
Atom CG of residue 275
ALA
Atom CA of residue 414
Atom CB of residue 200
Atom CG2 of residue 437
Atom CG of residue 117
Atom N of residue 233
Atom CA of residue 336
Atom N of residue 353
Atom OG1 of residue 335
Atom CD1 of residue 596
Atom CA of residue 382
Atom CD of residue 105
Atom C of residue 233
Atom O of residue 298
GLY
GLY
Atom N of residue 234
Atom OG of residue 264
LYS
Atom CG of residue 455
Atom O of residue 391
Atom OG of residue 74
Atom N of residue 162
Atom OD1 of residue 254
Atom CB of residue 551
Atom C of residue 622
Atom OG of residue 376
Atom OD1 of residue 480
Atom CG of residue 657
Atom N of residue 543
Atom C of residue 221
Atom CE1 of residue 139
Atom CG2 of residue 86
Atom CZ of residue 491
CYS
Atom CA of residue 284
Atom CE1 of residue 613
Atom O of residue 19
Atom C of residue 55
Atom CG of residue 140
Atom CB of residue 362
Atom OG of residue 287
Atom CA of residue 422
Atom CG of residue 293
Atom C of residue 372
Atom C of residue 369
Atom O of residue 184
Atom CB of residue 137
Atom O of residue 155
Atom C of residue 606
Atom O of residue 47
Atom CE3 of residue 248
VAL
Atom CB of residue 147
Atom CG of residue 40
Atom N of residue 311
Atom CA of residue 180
Atom CE3 of residue 93
Atom CZ of residue 272
Atom O of residue 208
Atom CG1 of residue 424
Atom N of residue 242
Atom CD of residue 344
Atom CG1 of residue 131
Atom CA of residue 239
Atom CA of residue 430
Atom CG2 of residue 326
TYR
Atom CB of residue 400
Atom NH1 of residue 165
ARG
Atom O of residue 228
Atom C of residue 35
Atom O of residue 437
Atom OD1 of residue 318
Atom CA of residue 185
Atom C of residue 417
Atom CB of residue 562
Atom N of residue 472
Atom C of residue 388
Atom O of residue 588
Atom CD1 of residue 265
Atom CB of residue 406
Atom ND2 of residue 533
Atom N of residue 145
PRO
Atom CZ of residue 279
Atom CG of residue 295
ASN
Atom CD of residue 92
Atom CA of residue 216
VAL
Atom CG of residue 122
Atom CD of residue 275
Atom CE1 of residue 171
Atom O of residue 111
Atom CA of residue 64
Atom OG of residue 397
ALA
Atom CB of residue 382
Atom CB of residue 385
Atom CD of residue 140
Atom O of residue 445
Atom OG of residue 326
Atom O of residue 233
Atom CA of residue 543
VAL
Atom CZ2 of residue 630
Atom O of residue 221
Atom OH of residue 648
Atom CB of residue 344
Atom CA of residue 516
Atom CA of residue 11
Atom O of residue 28
Atom N of residue 87
Atom C of residue 239
Atom O of residue 55
THR
LEU
PHE
Atom CG of residue 551
Atom O of residue 370
Atom CG of residue 444
Atom CB of residue 193
Atom CA of residue 97
Atom CA of residue 192
Atom CG1 of residue 81
TYR
Atom C of residue 284
Atom OG1 of residue 303
Atom CD1 of residue 293
Atom N of residue 597
Atom CE of residue 105
Atom CB of residue 216
Atom N of residue 48
Atom CA of residue 508
Atom ND2 of residue 208
ARG
GLU
Atom N of residue 180
Atom O of residue 301
GLU
Atom C of residue 264
Atom CG1 of residue 200
Atom CG of residue 147
Atom C of residue 74
Atom CA of residue 86
Atom CZ of residue 90
Atom OE1 of residue 344
Atom N of residue 438
Atom O of residue 622
Atom CG2 of residue 131
Atom OD2 of residue 480
Atom CB of residue 430
Atom C of residue 326
Atom CD of residue 499
Atom CG of residue 406
Atom O of residue 606
Atom CG of residue 400
Atom CB of residue 155
Atom NH2 of residue 165
Atom O of residue 80
Atom N of residue 20
Atom CG of residue 362
Atom C of residue 117
Atom N of residue 438
Atom SG of residue 562
Atom C of residue 287
Atom N of residue 534
Atom NH1 of residue 279
Atom CG2 of residue 335
Atom CB of residue 208
Atom CB of residue 228
Atom C of residue 397
Atom CD1 of residue 295
GLU
Atom CA of residue 242
Atom OG1 of residue 385
Atom CA of residue 640
Atom CD1 of residue 455
Atom CG of residue 525
Atom N of residue 649
Atom ND2 of residue 254
Atom C of residue 64
Atom N of residue 377
Atom CD of residue 657
Atom CA of residue 353
Atom CG of residue 79
Atom O of residue 35
Atom OG1 of residue 382
Atom NE of residue 140
Atom CD1 of residue 137
Atom C of residue 125
Atom C of residue 185
Atom CA of residue 463
Atom CD1 of residue 424
Atom C of residue 261
Atom CZ2 of residue 93
Atom OH of residue 272
Atom OG of residue 200
Atom CB of residue 588
Atom CD2 of residue 265
Atom CB of residue 11
Atom CA of residue 78
Atom CB of residue 422
Atom O of residue 372
Atom CZ2 of residue 248
Atom CA of residue 319
Atom CG of residue 69
Atom O of residue 239
Atom NE2 of residue 613
Atom CA of residue 362
Atom CB of residue 445
Atom OE1 of residue 275
Atom NH1 of residue 491
Atom C of residue 97
Atom CB of residue 301
Atom OE1 of residue 92
Atom CA of residue 257
Atom CB of residue 111
Atom CD1 of residue 406
Atom CD2 of residue 293
Atom CA of residue 568
Atom CD of residue 147
THR
Atom N of residue 327
Atom N of residue 141
PRO
Atom CA of residue 183
Atom CD of residue 40
SER
Atom CD of residue 122
Atom C of residue 516
Atom C of residue 640
Atom CG2 of residue 200
Atom CB of residue 391
Atom CB of residue 414
Atom N of residue 185
Atom NE2 of residue 344
Atom CA of residue 481
Atom CA of residue 354
THR
Atom CB of residue 444
Atom NE of residue 499
Atom N of residue 166
Atom CB of residue 192
Atom NH1 of residue 680
Atom O of residue 224
Atom C of residue 163
Atom O of residue 284
THR
Atom N of residue 371
Atom CE2 of residue 171
Atom O of residue 397
HIS
CYS
Atom C of residue 508
Atom NH2 of residue 279
Atom C of residue 208
Atom CG2 of residue 208
Atom OG1 of residue 422
Atom N of residue 234
Atom CA of residue 145
Atom O of residue 417
Atom C of residue 66
Atom OG of residue 344
Atom O of residue 125
Atom CB of residue 622
Atom N of residue 29
Atom C of residue 236
Atom CD2 of residue 455
Atom CD of residue 525
Atom CG of residue 430
Atom CA of residue 311
Atom C of residue 200
Atom CB of residue 606
Atom CG2 of residue 303
Atom ND1 of residue 551
Atom O of residue 64
Atom CB of residue 239
Atom OH of residue 90
Atom NE2 of residue 139
Atom CD1 of residue 362
HIS
Atom C of residue 463
Atom CG2 of residue 424
Atom CZ3 of residue 93
Atom O of residue 326
Atom C of residue 272
Atom CA of residue 266
Atom C of residue 11
Atom N of residue 373
Atom N of residue 336
Atom N of residue 614
Atom N of residue 56
Atom NZ of residue 105
SER
Atom O of residue 264
Atom OG1 of residue 228
Atom O of residue 74
Atom CZ3 of residue 630
Atom NH2 of residue 491
Atom O of residue 97
Atom C of residue 273
Atom C of residue 162
Atom SG of residue 301
Atom CA of residue 649
Atom CE1 of residue 293
THR
Atom NE of residue 657
Atom CB of residue 353
Atom O of residue 163
Atom CG2 of residue 369
Atom C of residue 82
Atom CA of residue 327
Atom CD1 of residue 400
Atom OD2 of residue 318
Atom O of residue 185
Atom C of residue 131
Atom CG1 of residue 261
Atom CB of residue 221
Atom CD2 of residue 137
Atom O of residue 287
Atom CG of residue 414
Atom C of residue 354
GLU
Atom N of residue 563
Atom O of residue 65
Atom O of residue 388
Atom CG of residue 216
Atom CG of residue 155
Atom N of residue 481
Atom CD2 of residue 444
Atom CZ of residue 499
Atom C of residue 344
TYR
Atom NH2 of residue 680
Atom OE1 of residue 122
Atom CG of residue 193
Atom CG2 of residue 385
Atom CZ of residue 171
Atom C of residue 568
Atom CB of residue 417
Atom CA of residue 597
Atom CG of residue 391
Atom CB of residue 125
Atom CA of residue 534
Atom C of residue 362
Atom CD of residue 336
Atom CE of residue 40
Atom C of residue 303
Atom N of residue 65
Atom C of residue 145
Atom N of residue 201
Atom O of residue 208
Atom N of residue 225
Atom CA of residue 472
Atom O of residue 516
Atom NE2 of residue 275
Atom C of residue 78
Atom CA of residue 438
Atom CG2 of residue 622
Atom C of residue 319
Atom NE of residue 525
Atom CA of residue 20
Atom CB of residue 257
Atom O of residue 200
Atom C of residue 183
Atom CB of residue 284
ALA
Atom CG2 of residue 382
Atom CG1 of residue 111
Atom C of residue 90
Atom CE1 of residue 362
HIS
Atom CA of residue 438
Atom O of residue 463
Atom CB of residue 180
Atom CH2 of residue 93
ALA
Atom N of residue 140
Atom CZ3 of residue 248
Atom O of residue 508
Atom CD of residue 69
Atom CA of residue 336
VAL
Atom CZ of residue 140
PRO
Atom CG2 of residue 422
CYS
Atom CG2 of residue 228
Atom N of residue 75
Atom CD2 of residue 295
Atom CH2 of residue 630
Atom CG1 of residue 208
SER
Atom O of residue 273
Atom CD of residue 430
SER
Atom CG of residue 445
Atom CB of residue 336
Atom CE of residue 147
Atom N of residue 105
Atom C of residue 543
Atom CD1 of residue 216
Atom C of residue 318
Atom SG of residue 192
GLY
Atom N of residue 327
Atom O of residue 272
Atom CD2 of residue 406
Atom N of residue 398
Atom OE2 of residue 92
Atom CA of residue 185
ASP
Atom C of residue 105
Atom SG of residue 588
Atom CA of residue 61
GLU
Atom CA of residue 166
Atom O of residue 640
Atom OG of residue 221
Atom NE2 of residue 122
Atom ND1 of residue 193
Atom N of residue 409
Atom CA of residue 48
Atom CG of residue 417
Atom C of residue 353
Atom N of residue 209
Atom O of residue 354
Atom N of residue 389
Atom CG of residue 125
Atom C of residue 438
Atom CD2 of residue 551
Atom CA of residue 425
Atom N of residue 255
Atom N of residue 288
SER
Atom CB of residue 185
Atom OD1 of residue 414
LYS
SER
Atom C of residue 472
Atom N of residue 266
SER
Atom N of residue 456
Atom CB of residue 20
Atom CB of residue 311
Atom CB of residue 86
Atom O of residue 362
Atom N of residue 681
Atom N of residue 164
Atom CG2 of residue 284
Atom CA of residue 371
Atom NE2 of residue 444
Atom CG2 of residue 111
Atom N of residue 386
Atom C of residue 87
Atom N of residue 302
Atom C of residue 534
Atom O of residue 11
Atom N of residue 83
Atom CB of residue 273
Atom CG of residue 257
Atom CD2 of residue 400
Atom CD of residue 155
Atom CG of residue 336
MET
Atom CG2 of residue 261
Atom O of residue 162
Atom N of residue 631
Atom N of residue 517
Atom CB of residue 48
Atom O of residue 318
Atom N of residue 98
Atom N of residue 265
Atom CZ of residue 525
Atom ND1 of residue 391
Atom CA of residue 370
Atom O of residue 344
Atom N of residue 345
Atom CG of residue 606
Atom CG1 of residue 622
Atom O of residue 131
Atom C of residue 382
Atom N of residue 492
Atom C of residue 192
VAL
Atom CD2 of residue 362
Atom CD2 of residue 408
Atom ND1 of residue 438
Atom CH2 of residue 248
Atom O of residue 568
Atom CE of residue 69
Atom C of residue 597
Atom N of residue 240
Atom O of residue 543
Atom CA of residue 101
Atom CB of residue 185
Atom NH1 of residue 140
Atom N of residue 589
Atom CA of residue 91
GLY
Atom CB of residue 508
Atom C of residue 481
Atom C of residue 279
SER
Atom NZ of residue 40
Atom C of residue 295
Atom CA of residue 614
Atom NH1 of residue 499
Atom CB of residue 463
Atom CA of residue 56
Atom CB of residue 242
Atom C of residue 122
Atom CD2 of residue 193
CYS
SER
Atom N of residue 201
Atom N of residue 209
Atom O of residue 78
Atom O of residue 319
THR
Atom O of residue 105
Atom CD of residue 445
Atom O of residue 438
Atom CB of residue 65
Atom N of residue 641
Atom O of residue 145
VAL
ILE
Atom C of residue 422
VAL
Atom O of residue 472
Atom O of residue 303
Atom C of residue 166
SER
GLN
Atom CA of residue 386
Atom CA of residue 29
Atom CB of residue 568
Atom CA of residue 209
Atom CB of residue 354
Atom N of residue 425
Atom OH of residue 171
Atom CE2 of residue 293
Atom N of residue 319
Atom CA of residue 377
Atom CZ of residue 657
Atom O of residue 353
Atom NZ of residue 147
LYS
Atom NZ of residue 273
Atom N of residue 93
Atom C of residue 137
Atom CA of residue 410
Atom CA of residue 201
Atom O of residue 597
Atom CB of residue 162
Atom OG1 of residue 242
Atom OG of residue 180
Atom N of residue 222
Atom C of residue 93
Atom CE1 of residue 406
Atom OG of residue 48
SER
PRO
Atom CD2 of residue 391
PHE
PRO
Atom CD1 of residue 606
Atom CB of residue 362
Atom CB of residue 319
Atom N of residue 229
Atom N of residue 132
Atom CA of residue 225
Atom CB of residue 543
Atom C of residue 371
Atom CD1 of residue 111
Atom CA of residue 373
Atom CG1 of residue 284
GLN
Atom O of residue 534
Atom N of residue 12
Atom C of residue 132
Atom NZ of residue 69
Atom ND1 of residue 417
Atom CB of residue 56
Atom CD1 of residue 257
VAL
Atom CB of residue 91
Atom CD of residue 125
Atom N of residue 156
Atom CA of residue 236
Atom CG of residue 185
Atom O of residue 182
Atom O of residue 279
Atom CA of residue 75
Atom C of residue 40
Atom ND2 of residue 414
Atom CG of residue 311
THR
Atom NH2 of residue 499
Atom N of residue 273
GLY
GLN
Atom N of residue 464
Atom O of residue 295
Atom C of residue 70
Atom CE1 of residue 193
Atom N of residue 345
Atom CB of residue 438
Atom CA of residue 85
Atom NE of residue 430
Atom CD2 of residue 216
Atom O of residue 192
Atom CB of residue 472
Atom OD2 of residue 141
Atom N of residue 276
Atom CG of residue 438
Atom C of residue 248
ARG
Atom CE1 of residue 444
Atom CG of residue 185
Atom C of residue 266
THR
Atom CB of residue 225
Atom CA of residue 234
Atom CB of residue 373
Atom C of residue 377
ARG
SER
Atom CB of residue 29
Atom CG1 of residue 568
Atom CA of residue 70
Atom CA of residue 78
Atom OG1 of residue 20
ASN
Atom C of residue 180
HIS
Atom C of residue 649
SER
Atom C of residue 48
Atom C of residue 171
Atom CE1 of residue 551
Atom CZ of residue 293
Atom C of residue 83
GLY
Atom C of residue 408
Atom C of residue 336
Atom C of residue 614
Atom O of residue 382
Atom CA of residue 255
Atom N of residue 446
Atom N of residue 623
Atom O of residue 87
Atom OG of residue 65
Atom N of residue 262
Atom OG1 of residue 162
LYS
Atom CA of residue 327
Atom CA of residue 389
SER
Atom CA of residue 492
Atom CA of residue 265
Atom CG1 of residue 508
Atom CE2 of residue 362
Atom CA of residue 345
Atom N of residue 304
Atom C of residue 336
Atom NH1 of residue 657
HIS
CYS
Atom CG of residue 319
Atom O of residue 137
LEU
Atom C of residue 61
Atom CD of residue 311
Atom N of residue 106
Atom CE2 of residue 406
Atom O of residue 132
Atom CA of residue 319
Atom CA of residue 681
Atom CA of residue 164
Atom CA of residue 589
Atom C of residue 327
Atom N of residue 401
Atom CA of residue 156
Atom CB of residue 234
Atom N of residue 280
Atom CB of residue 597
Atom O of residue 40
Atom CG1 of residue 56
Atom CA of residue 631
Atom O of residue 93
ASN
Atom NH2 of residue 140
Atom CA of residue 464
Atom C of residue 147
Atom O of residue 649
Atom CA of residue 563
Atom CD2 of residue 606
Atom CG2 of residue 81
Atom O of residue 481
Atom NH1 of residue 525
Atom CZ of residue 430
Atom N of residue 112
Atom CA of residue 517
Atom O of residue 166
THR
Atom N of residue 274
Atom CB of residue 327
Atom O of residue 122
Atom CB of residue 389
Atom CA of residue 209
Atom O of residue 248
Atom N of residue 354
Atom C of residue 444
Atom C of residue 257
Atom OG of residue 91
Atom CE of residue 125
Atom CA of residue 288
Atom CD1 of residue 185
Atom CB of residue 75
Atom O of residue 422
Atom OG of residue 373
Atom O of residue 377
CYS
Atom C of residue 201
Atom N of residue 296
Atom CG of residue 225
Atom CA of residue 93
Atom CG of residue 66
Atom OG of residue 29
Atom CG of residue 362
Atom O of residue 180
Atom O of residue 327
Atom C of residue 216
Atom OH of residue 293
Atom N of residue 193
Atom O of residue 371
Atom N of residue 383
Atom SG of residue 255
Atom N of residue 142
Atom CB of residue 438
Atom C of residue 148
GLY
Atom C of residue 681
Atom CD of residue 185
Atom CB of residue 534
SER
LEU
Atom CD of residue 265
Atom CD2 of residue 417
Atom N of residue 285
Atom CZ of residue 406
Atom CZ of residue 362
Atom C of residue 345
Atom CA of residue 304
Atom NE2 of residue 551
Atom O of residue 614
SER
HIS
Atom CG2 of residue 568
Atom CE1 of residue 391
SER
Atom CG of residue 354
Atom OE1 of residue 311
Atom CG2 of residue 242
ARG
Atom O of residue 171
Atom CB of residue 63
Atom O of residue 147
Atom CG of residue 543
Atom CB of residue 649
Atom C of residue 563
PRO
Atom CA of residue 276
Atom SG of residue 234
THR
Atom CB of residue 87
Atom C of residue 65
Atom CA of residue 456
Atom C of residue 425
Atom CA of residue 557
Atom CA of residue 273
Atom CG of residue 137
Atom CB of residue 288
Atom C of residue 492
Atom CG2 of residue 508
Atom CA of residue 398
Atom CA of residue 240
Atom C of residue 414
Atom CG of residue 438
TRP
Atom O of residue 336
Atom NH2 of residue 525
Atom CG2 of residue 20
Atom NH1 of residue 430
Atom CA of residue 222
Atom OG1 of residue 327
Atom N of residue 500
SER
Atom NH2 of residue 657
SER
VAL
Atom C of residue 386
Atom OG1 of residue 472
Atom C of residue 373
Atom CB of residue 377
Atom CA of residue 229
Atom CA of residue 132
Atom CD of residue 225
Atom CB of residue 371
Atom CD2 of residue 257
Atom OG of residue 389
Atom CA of residue 126
Atom CA of residue 156
Atom CA of residue 98
Atom CB of residue 481
VAL
Atom CA of residue 41
Atom C of residue 631
Atom CB of residue 327
Atom SG of residue 534
Atom N of residue 423
Atom CG2 of residue 162
Atom C of residue 93
Atom O of residue 266
Atom N of residue 607
Atom CB of residue 132
Atom CA of residue 112
Atom C of residue 91
Atom CB of residue 166
Atom CA of residue 641
Atom CD of residue 319
Atom O of residue 336
PHE
Atom O of residue 216
Atom CD2 of residue 438
Atom N of residue 249
Atom CB of residue 398
ALA
Atom N of residue 94
Atom CA of residue 302
Atom OE2 of residue 185
Atom C of residue 140
Atom C of residue 234
Atom N of residue 132
Atom CG of residue 597
Atom CB of residue 164
ARG
Atom N of residue 552
Atom O of residue 201
Atom O of residue 83
SER
Atom NH2 of residue 66
Atom C of residue 517
Atom CG2 of residue 67
Atom CG1 of residue 234
ALA
Atom CD1 of residue 362
Atom OD1 of residue 354
Atom C of residue 242
Atom NE2 of residue 193
Atom N of residue 172
Atom N of residue 294
Atom CA of residue 193
Atom CA of residue 82
Atom C of residue 117
Atom C of residue 456
Atom C of residue 557
MET
Atom CB of residue 273
Atom O of residue 48
Atom C of residue 29
Atom CB of residue 265
Atom C of residue 240
Atom O of residue 414
Atom O of residue 425
VAL
Atom C of residue 589
Atom O of residue 345
Atom C of residue 641
Atom C of residue 229
Atom N of residue 526
Atom OG of residue 75
Atom CZ of residue 85
Atom N of residue 615
Atom NH2 of residue 430
Atom O of residue 563
Atom C of residue 389
Atom CA of residue 345
Atom CB of residue 156
Atom CA of residue 12
Atom O of residue 148
Atom N of residue 569
Atom N of residue 658
Atom CA of residue 407
Atom CA of residue 274
Atom C of residue 302
Atom N of residue 123
Atom CG of residue 64
Atom OG1 of residue 377
Atom CB of residue 132
Atom CB of residue 209
Atom CA of residue 148
Atom CD of residue 543
Atom N of residue 181
Atom CA of residue 201
Atom CG of residue 132
Atom CA of residue 401
Atom CB of residue 98
Atom CA of residue 280
Atom C of residue 20
Atom CA of residue 262
Atom CA of residue 106
Atom N of residue 256
Atom CA of residue 446
Atom CG of residue 327
Atom OG1 of residue 288
Atom N of residue 535
LYS
Atom CG of residue 87
Atom O of residue 492
Atom CD2 of residue 185
Atom O of residue 93
Atom O of residue 140
Atom C of residue 276
Atom CG2 of residue 56
LEU
Atom O of residue 386
Atom CG2 of residue 472
Atom CA of residue 248
Atom CG of residue 87
Atom CG1 of residue 398
Atom CA of residue 354
Atom CB of residue 336
Atom OE2 of residue 311
ARG
Atom CD2 of residue 64
Atom O of residue 589
Atom CB of residue 266
Atom CG of residue 101
Atom N of residue 650
CYS
Atom N of residue 337
Atom O of residue 681
Atom N of residue 41
Atom N of residue 163
Atom CG of residue 209
Atom NE2 of residue 391
Atom N of residue 194
Atom CB of residue 345
Atom CB of residue 201
GLU
Atom CD of residue 438
Atom CA of residue 623
GLU
Atom CG of residue 166
Atom NE of residue 319
Atom C of residue 222
Atom N of residue 217
VAL
Atom C of residue 464
GLU
Atom CB of residue 83
Atom O of residue 456
Atom CA of residue 296
Atom N of residue 372
Atom CA of residue 500
Atom CB of residue 563
Atom O of residue 517
Atom O of residue 90
Atom NE2 of residue 438
Atom CB of residue 148
Atom CE1 of residue 417
Atom N of residue 415
Atom CA of residue 383
Atom OE1 of residue 185
Atom NZ of residue 125
Atom N of residue 509
Atom CB of residue 201
Atom O of residue 240
Atom O of residue 631
Atom CG of residue 156
Atom CB of residue 12
SER
Atom O of residue 229
Atom ND2 of residue 354
Atom O of residue 444
LEU
Atom CA of residue 231
Atom C of residue 446
Atom C of residue 156
SER
Atom CG of residue 481
Atom SG of residue 132
Atom CE of residue 225
Atom O of residue 257
Atom C of residue 401
Atom CG of residue 98
Atom O of residue 117
Atom C of residue 262
Atom CG of residue 273
Atom C of residue 67
Atom CA of residue 423
Atom N of residue 186
Atom CG of residue 265
Atom O of residue 302
Atom CB of residue 345
Atom O of residue 29
Atom O of residue 61
CYS
Atom C of residue 75
Atom CG of residue 164
ILE
Atom O of residue 242
Atom CB of residue 386
Atom N of residue 141
Atom C of residue 406
GLU
Atom C of residue 56
Atom C of residue 112
Atom C of residue 248
GLN
Atom CD of residue 87
SER
Atom CB of residue 681
Atom CG1 of residue 336
LYS
Atom OH of residue 362
Atom N of residue 49
Atom CB of residue 304
SER
Atom C of residue 623
Atom CB of residue 319
Atom CB of residue 280
Atom CD of residue 209
Atom N of residue 148
Atom CB of residue 296
Atom CA of residue 650
Atom CG2 of residue 288
SER
Atom O of residue 276
Atom O of residue 373
Atom ND1 of residue 597
ALA
Atom CA of residue 163
Atom CB of residue 309
Atom O of residue 236
Atom O of residue 234
Atom CB of residue 456
Atom CB of residue 631
ARG
Atom CA of residue 607
Atom CD2 of residue 362
Atom OG of residue 148
Atom CB of residue 77
Atom OE1 of residue 543
Atom CG2 of residue 327
Atom ND1 of residue 87
Atom CB of residue 354
Atom N of residue 392
Atom N of residue 241
Atom CA of residue 285
Atom C of residue 311
Atom OG of residue 563
Atom CB of residue 589
Atom CD of residue 327
Atom O of residue 62
Atom CG2 of residue 377
Atom CB of residue 229
Atom OG of residue 201
Atom CB of residue 141
Atom CD of residue 132
Atom CA of residue 249
CYS
Atom CG of residue 273
Atom O of residue 20
Atom CA of residue 94
Atom CB of residue 106
Atom O of residue 389
Atom OG of residue 12
Atom CB of residue 492
Atom CD of residue 98
Atom N of residue 118
Atom OXT of residue 444
Atom OG of residue 386
Atom OG of residue 345
Atom O of residue 446
Atom CA of residue 552
Atom CA of residue 294
Atom O of residue 641
Atom CB of residue 193
Atom CB of residue 302
VAL
Atom O of residue 401
Atom CD of residue 101
Atom CD of residue 164
SER
Atom C of residue 500
Atom N of residue 518
Atom N of residue 91
Atom O of residue 67
Atom N of residue 439
Atom CA of residue 132
ASP
VAL
Atom CB of residue 425
Atom CB of residue 93
Atom CA of residue 65
Atom CA of residue 526
VAL
GLU
Atom N of residue 237
Atom O of residue 406
Atom C of residue 304
Atom O of residue 464
Atom NE2 of residue 417
Atom N of residue 355
Atom CA of residue 123
Atom CG1 of residue 266
Atom OG of residue 681
Atom CA of residue 615
Atom CG1 of residue 309
Atom N of residue 258
Atom C of residue 362
Atom CG of residue 319
Atom CA of residue 658
VAL
Atom N of residue 243
Atom OD1 of residue 273
Atom N of residue 126
Atom CA of residue 535
Atom CB of residue 423
Atom CD2 of residue 597
Atom OE2 of residue 543
PRO
Atom C of residue 285
Atom O of residue 222
ALA
Atom CG of residue 201
Atom CG of residue 83
Atom CG of residue 456
Atom CB of residue 383
Atom CA of residue 194
Atom O of residue 623
Atom CE1 of residue 362
Atom CE1 of residue 438
Atom OG of residue 492
Atom CD of residue 481
Atom C of residue 430
Atom C of residue 185
Atom C of residue 201
VAL
Atom CA of residue 337
Atom C of residue 327
Atom C of residue 12
Atom NZ of residue 225
Atom O of residue 56
Atom CB of residue 276
Atom CB of residue 641
Atom CA of residue 337
Atom CA of residue 509
Atom CG1 of residue 280
Atom CG of residue 302
Atom OD1 of residue 156
Atom CB of residue 401
Atom O of residue 156
Atom CA of residue 172
Atom OE1 of residue 98
Atom CG2 of residue 398
Atom O of residue 75
Atom C of residue 607
ASN
Atom N of residue 30
Atom C of residue 132
Atom CB of residue 41
Atom CD1 of residue 166
Atom CD2 of residue 87
Atom CB of residue 87
Atom C of residue 354
Atom CA of residue 241
Atom N of residue 328
Atom N of residue 374
Atom CA of residue 186
Atom N of residue 378
Atom CA of residue 100
Atom CA of residue 415
Atom N of residue 21
Atom N of residue 473
Atom OE1 of residue 132
Atom CA of residue 149
Atom CD of residue 222
Atom CD1 of residue 319
Atom N of residue 418
Atom O of residue 261
Atom OG1 of residue 631
Atom CB of residue 123
Atom C of residue 345
Atom O of residue 248
Atom O of residue 304
Atom N of residue 235
Atom O of residue 63
Atom CG of residue 193
Atom CG of residue 425
Atom O of residue 362
Atom C of residue 294
Atom C of residue 509
Atom CZ of residue 319
Atom OE1 of residue 164
Atom O of residue 112
Atom O of residue 500
Atom C of residue 273
Atom CG1 of residue 589
SER
MET
Atom N of residue 68
Atom C of residue 255
Atom CB of residue 172
Atom CB of residue 249
Atom CE1 of residue 597
Atom CG2 of residue 336
Atom CG of residue 93
Atom O of residue 201
Atom C of residue 265
Atom SD of residue 201
Atom NE of residue 209
Atom C of residue 526
Atom OG of residue 296
ARG
Atom N of residue 407
Atom CA of residue 217
Atom CG of residue 345
Atom C of residue 438
Atom N of residue 493
Atom CA of residue 569
Atom CD of residue 273
Atom O of residue 430
Atom CB of residue 94
Atom CG of residue 106
Atom N of residue 390
Atom O of residue 101
LEU
VAL
Atom O of residue 285
PHE
Atom N of residue 387
Atom CA of residue 141
Atom C of residue 552
Atom N of residue 149
Atom CB of residue 464
Atom CG of residue 229
SER
Atom O of residue 327
Atom CG of residue 423
Atom OG1 of residue 641
ALA
Atom N of residue 564
Atom C of residue 288
Atom CB of residue 156
Atom OG1 of residue 63
Atom N of residue 76
Atom C of residue 615
Atom C of residue 194
Atom CB of residue 446
Atom CB of residue 623
Atom O of residue 409
Atom OE1 of residue 481
Atom OG1 of residue 407
Atom CG2 of residue 309
Atom O of residue 185
Atom SG of residue 67
Atom CA of residue 49
Atom CD2 of residue 166
Atom CA of residue 544
Atom CA of residue 328
Atom CA of residue 378
Atom N of residue 682
CYS
Atom N of residue 57
Atom CA of residue 181
GLU
Atom C of residue 658
Atom CG2 of residue 280
Atom CD of residue 83
Atom CA of residue 392
ALA
GLY
Atom C of residue 98
PHE
Atom C of residue 398
Atom C of residue 225
Atom C of residue 163
Atom CG2 of residue 631
Atom CG of residue 123
Atom CG2 of residue 266
Atom CB of residue 217
Atom O of residue 607
Atom O of residue 132
Atom N of residue 337
Atom CE1 of residue 87
Atom O of residue 354
Atom CB of residue 148
Atom C of residue 296
Atom NE2 of residue 164
Atom CG of residue 383
Atom C of residue 650
GLU
Atom CA of residue 439
Atom OG of residue 172
Atom C of residue 186
Atom CB of residue 415
Atom O of residue 311
Atom CD of residue 106
Atom CB of residue 248
Atom CA of residue 133
Atom CG of residue 276
LYS
Atom O of residue 265
Atom CB of residue 101
GLY
Atom CD of residue 345
Atom CE2 of residue 362
Atom NH1 of residue 319
Atom CB of residue 261
Atom C of residue 86
Atom N of residue 431
Atom CD of residue 302
Atom CB of residue 112
Atom N of residue 673
Atom ND2 of residue 156
Atom CG1 of residue 249
Atom CD of residue 193
Atom CD1 of residue 456
Atom CA of residue 355
Atom N of residue 363
Atom O of residue 65
Atom O of residue 294
VAL
Atom O of residue 509
ASP
Atom O of residue 255
Atom CB of residue 337
CYS
Atom ND2 of residue 273
Atom O of residue 288
Atom O of residue 12
Atom CG of residue 156
Atom CE of residue 201
Atom CZ of residue 209
Atom N of residue 68
Atom CG of residue 464
GLY
Atom CE of residue 273
Atom CB of residue 181
Atom OG of residue 401
Atom CB of residue 49
Atom C of residue 535
Atom CE1 of residue 166
Atom C of residue 392
Atom CB of residue 285
GLN
Atom CA of residue 237
Atom N of residue 305
Atom C of residue 569
Atom O of residue 225
Atom O of residue 615
Atom CD1 of residue 383
Atom CA of residue 258
SER
Atom OE2 of residue 132
Atom CA of residue 642
Atom CA of residue 118
Atom N of residue 310
SER
Atom CB of residue 500
Atom C of residue 126
Atom CD of residue 423
Atom OG1 of residue 61
Atom NE2 of residue 98
LEU
Atom O of residue 526
Atom N of residue 544
Atom CD of residue 93
Atom O of residue 194
Atom N of residue 202
Atom CG of residue 446
Atom CG1 of residue 217
Atom C of residue 172
Atom CG2 of residue 623
Atom C of residue 41
Atom CE of residue 222
Atom CA of residue 473
Atom CD2 of residue 319
Atom O of residue 296
Atom C of residue 164
Atom CG of residue 94
Atom CA of residue 518
Atom CA of residue 482
Atom O of residue 398
Atom CG1 of residue 148
ARG
Atom NE2 of residue 597
Atom OD1 of residue 425
PRO
Atom CB of residue 141
Atom CD1 of residue 266
Atom CG2 of residue 589
Atom N of residue 266
Atom ND1 of residue 229
Atom CE of residue 83
Atom N of residue 328
Atom CE2 of residue 64
Atom N of residue 346
Atom CZ of residue 362
Atom O of residue 552
Atom NH2 of residue 319
Atom CA of residue 21
Atom O of residue 163
Atom CA of residue 243
Atom OE2 of residue 193
Atom CB of residue 145
Atom N of residue 312
Atom O of residue 345
THR
Atom CA of residue 30
Atom CA of residue 374
Atom C of residue 118
Atom CA of residue 418
Atom CA of residue 68
Atom C of residue 237
Atom O of residue 186
Atom NE of residue 106
Atom N of residue 289
Atom CD1 of residue 276
Atom CA of residue 235
CYS
Atom C of residue 280
Atom CG1 of residue 415
Atom CG of residue 500
Atom CA of residue 493
Atom CG2 of residue 641
LYS
Atom CG of residue 181
Atom OE1 of residue 302
Atom C of residue 49
Atom CG2 of residue 249
Atom O of residue 658
Atom CD2 of residue 456
Atom C of residue 355
Atom CA of residue 407
PHE
Atom CB of residue 607
Atom CA of residue 305
Atom CB of residue 294
Atom OE2 of residue 481
Atom N of residue 133
Atom CB of residue 509
Atom O of residue 392
HG
Atom CD2 of residue 383
Atom CB of residue 255
Atom CG2 of residue 140
Atom CB of residue 552
Atom O of residue 41
Atom CB of residue 243
Atom C of residue 518
Atom C of residue 439
Atom N of residue 202
Atom CA of residue 76
ALA
Atom NE of residue 93
Atom CD of residue 94
Atom CZ of residue 64
Atom CD1 of residue 123
Atom CG of residue 248
Atom OG1 of residue 623
ALA
Atom C of residue 156
Atom O of residue 535
Atom CA of residue 235
Atom CG2 of residue 285
Atom CB of residue 235
Atom CB of residue 30
Atom OG of residue 337
Atom N of residue 399
Atom N of residue 598
Atom CA of residue 226
Atom ND2 of residue 425
Atom CB of residue 615
Atom CB of residue 21
Atom CB of residue 258
Atom CA of residue 390
Atom N of residue 590
Atom N of residue 66
Atom O of residue 438
Atom NH1 of residue 209
Atom CB of residue 163
ARG
Atom CA of residue 328
Atom N of residue 186
Atom CG of residue 112
Atom O of residue 650
Atom NE2 of residue 87
Atom C of residue 62
Atom N of residue 320
Atom CB of residue 526
PRO
Atom C of residue 407
Atom CD1 of residue 156
Atom N of residue 13
Atom CG of residue 145
Atom NZ of residue 222
Atom N of residue 632
Atom CB of residue 194
Atom C of residue 473
Atom N of residue 346
Atom O of residue 273
Atom CA of residue 673
Atom C of residue 374
Atom CA of residue 99
Atom ND1 of residue 464
Atom CZ2 of residue 72
Atom O of residue 118
Atom C of residue 418
Atom CB of residue 658
Atom N of residue 133
Atom N of residue 402
Atom CG of residue 607
Atom N of residue 642
Atom N of residue 355
Atom CD of residue 181
VAL
Atom C of residue 378
PHE
Atom O of residue 569
Atom CA of residue 84
Atom CA of residue 57
Atom SD of residue 500
VAL
Atom CE of residue 423
Atom OH of residue 85
Atom CB of residue 392
Atom C of residue 241
Atom CA of residue 431
Atom CE2 of residue 166
Atom C of residue 149
Atom O of residue 368
Atom CD of residue 446
Atom CA of residue 363
Atom OE1 of residue 193
LEU
Atom O of residue 237
Atom SG of residue 552
Atom C of residue 319
Atom N of residue 42
Atom N of residue 297
Atom CZ of residue 106
SER
Atom CB of residue 186
GLY
Atom CG2 of residue 415
Atom CG of residue 163
Atom OG of residue 243
Atom CZ of residue 93
Atom N of residue 65
Atom CA of residue 564
Atom C of residue 673
Atom CA of residue 63
Atom C of residue 337
VAL
Atom CB of residue 390
Atom CG of residue 141
Atom O of residue 126
Atom O of residue 156
Atom NH2 of residue 209
Atom CG1 of residue 285
Atom O of residue 355
Atom CB of residue 650
Atom N of residue 267
Atom O of residue 518
Atom CB of residue 569
Atom OG of residue 658
VAL
Atom N of residue 1
Atom N of residue 426
Atom N of residue 439
Atom O of residue 164
Atom SG of residue 21
LYS
Atom CB of residue 68
Atom N of residue 88
Atom CB of residue 118
Atom CA of residue 202
Atom N of residue 482
ASP
Atom CB of residue 76
Atom NE of residue 94
Atom NZ of residue 83
LEU
ARG
Atom C of residue 328
Atom O of residue 407
Atom CB of residue 535
Atom N of residue 363
Atom O of residue 374
Atom CD2 of residue 464
ARG
Atom O of residue 418
Atom CD of residue 57
Atom CD of residue 248
LEU
Atom CD of residue 607
Atom O of residue 172
Atom C of residue 30
Atom CD2 of residue 229
LEU
Atom CA of residue 598
Atom CE of residue 181
Atom CA of residue 387
GLY
Atom CG2 of residue 217
VAL
GLY
Atom N of residue 226
Atom CG of residue 258
Atom CD2 of residue 276
Atom CG2 of residue 61
Atom O of residue 280
Atom SG of residue 526
Atom CB of residue 237
Atom O of residue 49
Atom CD2 of residue 156
Atom CZ of residue 166
Atom O of residue 241
Atom CA of residue 312
Atom O of residue 473
Atom CD2 of residue 123
Atom N of residue 274
Atom CD of residue 141
Atom N of residue 447
Atom O of residue 439
Atom CE1 of residue 456
Atom C of residue 243
Atom CA of residue 42
Atom CG1 of residue 615
Atom CD1 of residue 112
Atom CB of residue 126
Atom CG2 of residue 148
Atom CA of residue 682
Atom CE1 of residue 383
Atom C of residue 564
Atom CE of residue 500
Atom NZ of residue 423
Atom N of residue 624
Atom O of residue 337
Atom CB of residue 431
Atom CB of residue 222
Atom O of residue 673
Atom N of residue 157
ALA
Atom O of residue 319
Atom C of residue 249
Atom CE1 of residue 229
Atom C of residue 21
Atom N of residue 369
HIS
Atom CG of residue 194
Atom CG1 of residue 650
GLY
Atom CB of residue 305
Atom O of residue 98
Atom CG of residue 569
Atom C of residue 337
Atom CD of residue 145
Atom CB of residue 363
Atom OG of residue 294
HIS
Atom C of residue 493
Atom SG of residue 509
SER
Atom CA of residue 186
Atom CG of residue 235
GLU
Atom CA of residue 133
Atom CB of residue 312
Atom CA of residue 266
VAL
Atom CA of residue 632
Atom C of residue 387
Atom CA of residue 346
Atom CA of residue 346
ALA
Chain A
Atom NE2 of residue 302
Atom CB of residue 518
Atom CB of residue 439
Atom CA of residue 355
Atom C of residue 682
Atom CA of residue 426
Atom CB of residue 57
Atom CG of residue 237
Atom CA of residue 590
Atom CB of residue 241
ALA
PRO
Atom NH1 of residue 106
Atom CB of residue 473
Atom CG of residue 68
Atom N of residue 277
LEU
Atom N of residue 553
Atom CG of residue 186
Atom C of residue 193
Atom CA of residue 399
Atom N of residue 281
Atom CG1 of residue 392
PRO
Atom C of residue 415
Atom CA of residue 289
Atom N of residue 63
Atom O of residue 378
Atom CD of residue 163
Atom OE1 of residue 141
SER
Atom OG of residue 535
Atom CA of residue 320
Atom OE1 of residue 77
Atom NE of residue 248
Atom OE1 of residue 607
Atom O of residue 149
Atom CB of residue 355
Atom C of residue 544
Atom CG of residue 126
Atom C of residue 217
Atom CA of residue 13
Atom N of residue 320
Atom CB of residue 266
Atom N of residue 659
Atom O of residue 564
Atom C of residue 346
Atom C of residue 148
Atom N of residue 84
Atom O of residue 408
SER
Atom N of residue 50
Atom O of residue 249
Atom CG of residue 76
Atom N of residue 286
Atom O of residue 100
Atom CZ of residue 94
Atom C of residue 123
Atom CA of residue 202
Atom CD of residue 235
Atom N of residue 173
Atom OG of residue 390
Atom N of residue 295
Atom O of residue 30
Atom CA of residue 439
Atom CE1 of residue 464
Atom N of residue 510
Atom N of residue 165
Atom CG of residue 312
Atom CB of residue 186
Atom CB of residue 289
Atom CB of residue 81
Atom CB of residue 133
GLU
Atom CE2 of residue 383
Atom CD of residue 258
Atom N of residue 474
Atom N of residue 501
Atom N of residue 103
VAL
Atom C of residue 202
Atom CG of residue 57
Atom CG of residue 222
Atom C of residue 632
Atom O of residue 387
Atom O of residue 328
Atom CA of residue 402
Atom CA of residue 363
Atom N of residue 375
SER
Atom CB of residue 418
Atom CG1 of residue 241
GLN
Atom CE2 of residue 456
Atom CG of residue 431
Atom CD of residue 194
Atom NH2 of residue 106
Atom CA of residue 651
Atom CA of residue 267
Atom CG of residue 439
Atom OE1 of residue 145
Atom CA of residue 369
Atom CG of residue 363
Atom CA of residue 66
Atom O of residue 493
Atom CG of residue 355
Atom C of residue 133
THR
Atom NZ of residue 181
Atom N of residue 303
Atom CD2 of residue 112
GLU
Atom CD of residue 202
Atom NE1 of residue 156
Atom CB of residue 149
Atom O of residue 682
Atom O of residue 544
Atom NH1 of residue 93
Atom N of residue 408
Atom N of residue 338
Atom CG of residue 118
Atom O of residue 243
Atom CD1 of residue 72
Atom CB of residue 564
Atom OH of residue 166
Atom CB of residue 355
Atom C of residue 209
Atom C of residue 598
Atom CB of residue 328
Atom C of residue 590
Atom CB of residue 13
Atom CB of residue 378
Atom CD of residue 569
Atom CG2 of residue 615
Atom OD1 of residue 68
VAL
Atom N of residue 536
HIS
Atom OD1 of residue 186
Atom N of residue 99
Atom O of residue 193
GLU
Atom CG2 of residue 392
Atom OE1 of residue 258
Atom C of residue 390
Atom C of residue 423
Atom CB of residue 61
Atom C of residue 482
Atom N of residue 527
Atom N of residue 164
Atom O of residue 21
Atom O of residue 217
Atom CG1 of residue 305
Atom CE of residue 235
Atom C of residue 363
Atom C of residue 73
Atom CZ of residue 248
Atom CD of residue 237
ARG
Atom OG1 of residue 83
Atom C of residue 232
ARG
ASP
Atom CB of residue 387
Atom CG2 of residue 650
Atom C of residue 402
LEU
Atom CA of residue 320
Atom CG of residue 266
Atom CG of residue 133
ARG
Atom CB of residue 399
Atom O of residue 337
Atom CA of residue 474
Atom O of residue 346
Atom NH1 of residue 94
Atom CA of residue 303
Atom CA of residue 447
Atom CB of residue 673
Atom C of residue 66
Atom N of residue 31
Atom N of residue 250
Atom C of residue 320
Atom CD1 of residue 76
Atom CA of residue 1
Atom CZ of residue 456
LEU
Atom C of residue 267
Atom CB of residue 328
Atom OE2 of residue 607
Atom CB of residue 369
Atom CB of residue 346
Atom CA of residue 157
Atom C of residue 103
Atom ND1 of residue 439
Atom CB of residue 682
Atom CD of residue 226
Atom CD1 of residue 355
Atom CG of residue 186
Atom OG of residue 289
Atom C of residue 642
Atom CA of residue 281
Atom CA of residue 274
Atom CB of residue 202
Atom SD of residue 126
Atom O of residue 233
Atom CG1 of residue 149
Atom O of residue 202
Atom O of residue 415
Atom NH2 of residue 93
Atom O of residue 632
ALA
Atom CD2 of residue 65
Atom CG of residue 418
Atom CB of residue 544
Atom CD of residue 431
Atom OG of residue 564
Atom CG of residue 518
SER
Atom N of residue 167
Atom NE2 of residue 464
Atom NE2 of residue 229
Atom O of residue 209
Atom O of residue 148
Atom CD2 of residue 72
Atom O of residue 123
Atom OE2 of residue 141
Atom CD1 of residue 363
Atom CG1 of residue 13
Atom N of residue 494
Atom CD1 of residue 615
THR
Atom N of residue 218
Atom CA of residue 277
GLY
Atom CA of residue 297
Atom C of residue 426
Atom C of residue 181
Atom O of residue 390
Atom O of residue 423
TRP
CYS
Atom CA of residue 164
ILE
Atom N of residue 651
Atom CG of residue 346
Atom CA of residue 624
VAL
Atom N of residue 338
ARG
Atom CA of residue 295
Atom O of residue 73
Atom CA of residue 510
Atom O of residue 598
Atom CG of residue 387
Atom CA of residue 408
Atom OE1 of residue 569
Atom CE2 of residue 156
VAL
Atom C of residue 57
Atom NH2 of residue 94
Atom CZ of residue 383
Atom OE2 of residue 258
Atom N of residue 113
Atom C of residue 447
THR
Atom CD1 of residue 118
Atom N of residue 457
Atom CG of residue 682
Atom O of residue 267
Atom N of residue 329
Atom O of residue 402
Atom O of residue 363
Atom C of residue 84
Atom NE of residue 194
GLU
Atom NE of residue 237
Atom O of residue 133
Atom CG of residue 439
Atom CG2 of residue 241
Atom CB of residue 297
Atom CA of residue 165
Atom CD of residue 312
Atom N of residue 244
Atom C of residue 106
Atom OG1 of residue 673
Atom OD1 of residue 439
Atom CD1 of residue 266
Atom CG of residue 355
Atom CB of residue 226
Atom CG1 of residue 328
Atom CB of residue 274
Atom OD2 of residue 68
Atom O of residue 590
Atom CB of residue 346
Atom N of residue 416
Atom CG2 of residue 305
Atom CA of residue 173
ARG
Atom CG1 of residue 369
Atom CD of residue 518
ARG
LEU
Atom N of residue 149
Atom N of residue 22
Atom N of residue 124
Atom NH1 of residue 248
Atom CE1 of residue 363
Atom NZ of residue 235
Atom O of residue 103
Atom N of residue 230
Atom CD2 of residue 355
Atom CD of residue 186
Atom C of residue 289
Atom C of residue 99
Atom CB of residue 281
Atom CA of residue 182
Atom CB of residue 72
Atom CE of residue 126
Atom C of residue 624
Atom CA of residue 150
Atom OD2 of residue 186
Atom SG of residue 378
Atom CB of residue 202
Atom CB of residue 1
Atom CA of residue 527
Atom CB of residue 632
Atom CE1 of residue 65
Atom CD2 of residue 76
ALA
Atom N of residue 465
Atom O of residue 482
Atom N of residue 210
Atom CA of residue 286
Atom C of residue 243
Atom CG2 of residue 328
HIS
Atom C of residue 141
LYS
Atom CD1 of residue 133
Atom CG1 of residue 399
Atom OE2 of residue 145
Atom N of residue 616
Atom N of residue 268
Atom CB of residue 157
Atom CA of residue 50
Atom CE3 of residue 156
Atom C of residue 277
Atom N of residue 591
GLN
Atom CA of residue 67
Atom O of residue 320
CYS
VAL
Atom N of residue 94
Atom C of residue 94
Atom CD of residue 346
Atom O of residue 447
Atom CA of residue 329
Atom CA of residue 536
Atom CE of residue 431
Atom CZ of residue 194
Atom CA of residue 501
Atom CB of residue 133
Atom N of residue 194
Atom CH2 of residue 72
Atom CD1 of residue 418
Atom CB of residue 598
Atom CB of residue 165
Atom N of residue 545
Atom O of residue 106
Atom N of residue 565
Atom CE1 of residue 266
Atom CD1 of residue 355
Atom CG of residue 202
Atom C of residue 68
Atom CB of residue 402
Atom CG2 of residue 346
Atom N of residue 424
ASP
Atom C of residue 258
Atom NH2 of residue 248
Atom O of residue 78
Atom CB of residue 173
Atom CA of residue 553
Atom O of residue 642
Atom N of residue 242
Atom CD of residue 42
Atom C of residue 527
Atom OG of residue 297
Atom NE of residue 312
Atom N of residue 391
Atom CA of residue 408
Atom CA of residue 167
Atom CB of residue 363
Atom CG2 of residue 149
Atom O of residue 84
Atom N of residue 393
PRO
Atom CG2 of residue 673
Atom CG2 of residue 399
Atom CG of residue 1
Atom O of residue 426
Atom C of residue 383
Atom CD of residue 387
Atom CG of residue 274
Atom CA of residue 127
Atom CA of residue 375
Atom N of residue 187
Atom N of residue 379
Atom CG2 of residue 202
Atom CB of residue 482
Atom CA of residue 659
GLY
TYR
Atom O of residue 181
Atom CA of residue 31
Atom CB of residue 320
Atom C of residue 76
Atom O of residue 57
Atom C of residue 286
Atom C of residue 72
Atom OE1 of residue 518
Atom CA of residue 250
Atom NE2 of residue 65
SER
Atom CD of residue 682
Atom C of residue 328
SER
Atom C of residue 235
Atom CB of residue 67
Atom O of residue 624
LEU
Atom C of residue 234
Atom CD2 of residue 363
Atom CB of residue 50
Atom CZ2 of residue 156
Atom C of residue 295
Atom C of residue 553
Atom CB of residue 439
Atom CA of residue 494
Atom CD2 of residue 118
Atom C of residue 510
Atom OG1 of residue 281
ARG
Atom ND2 of residue 439
Atom N of residue 608
Atom C of residue 305
THR
Atom CG2 of residue 13
Atom N of residue 232
Atom CD1 of residue 133
VAL
Atom CA of residue 73
Atom CD2 of residue 418
ALA
Atom CG of residue 165
Atom CE1 of residue 355
Atom CA of residue 545
Atom CA of residue 142
Atom CB of residue 642
Atom CD2 of residue 133
Atom C of residue 659
ASP
Atom CA of residue 338
Atom C of residue 297
PRO
LYS
Atom CA of residue 268
Atom N of residue 403
VAL
Atom N of residue 150
Atom CA of residue 416
Atom O of residue 258
Atom CA of residue 113
HIS
Atom CG of residue 173
Atom CB of residue 42
Atom N of residue 95
Atom C of residue 167
Atom CD of residue 1
Atom CB of residue 426
Atom C of residue 164
Atom C of residue 501
Atom CA of residue 218
Atom O of residue 295
Atom CB of residue 250
Atom CA of residue 338
Atom O of residue 510
Atom CA of residue 457
Atom N of residue 146
Atom CA of residue 244
Atom N of residue 107
HIS
CYS
Atom CB of residue 31
Atom CG of residue 320
Atom C of residue 399
Atom CD2 of residue 355
Atom CG of residue 226
Atom O of residue 383
Atom C of residue 67
ASP
Atom C of residue 202
Atom O of residue 68
Atom C of residue 536
Atom CB of residue 375
Atom CB of residue 320
THR
PHE
Atom CD2 of residue 266
Atom N of residue 119
Atom CG of residue 482
Atom OE2 of residue 569
Atom CB of residue 182
Atom O of residue 277
Atom CG1 of residue 346
Atom O of residue 527
Atom C of residue 368
Atom CZ of residue 312
Atom O of residue 243
Atom C of residue 303
Atom NH1 of residue 194
GLY
Atom NE of residue 346
Atom OG of residue 157
Atom O of residue 99
Atom CB of residue 84
Atom O of residue 141
Atom CB of residue 408
Atom OG of residue 50
Atom CZ3 of residue 156
Atom O of residue 553
Atom N of residue 73
Atom O of residue 286
SER
Atom CE of residue 186
Atom OE1 of residue 387
Atom CD of residue 274
Atom O of residue 289
Atom CA of residue 249
LEU
Atom CB of residue 338
Atom CG1 of residue 202
Atom O of residue 76
Atom O of residue 297
Atom CG of residue 632
Atom OE2 of residue 518
Atom CA of residue 194
Atom CE1 of residue 418
Atom CA of residue 210
Atom NE of residue 682
Atom NZ of residue 431
Atom CB of residue 624
Atom CG of residue 320
Atom OG of residue 642
Atom CD1 of residue 81
Atom CG of residue 42
Atom N of residue 58
Atom CA of residue 616
Atom CA of residue 424
Atom OG1 of residue 67
Atom CA of residue 465
Atom O of residue 659
Atom CA of residue 22
Atom O of residue 303
Atom C of residue 113
Atom N of residue 674
Atom N of residue 134
ASP
Atom CB of residue 244
Atom N of residue 127
Atom CZ of residue 237
Atom CB of residue 447
Atom CB of residue 277
Atom C of residue 13
Atom CG of residue 426
Atom CA of residue 591
Atom C of residue 157
Atom CA of residue 403
Atom CB of residue 103
Atom C of residue 375
Atom C of residue 457
Atom CA of residue 94
THR
Atom O of residue 66
Atom N of residue 599
Atom N of residue 384
Atom O of residue 328
Atom CA of residue 68
Atom N of residue 440
Atom CB of residue 553
Atom CG of residue 31
Atom NE2 of residue 439
Atom CA of residue 187
Atom OG of residue 235
Atom CA of residue 393
Atom CB of residue 416
Atom C of residue 182
Atom N of residue 249
Atom CA of residue 608
Atom CG2 of residue 281
Atom CA of residue 149
Atom CB of residue 243
THR
Atom NH2 of residue 194
Atom CA of residue 124
Atom CE2 of residue 363
Atom C of residue 50
Atom O of residue 305
Atom O of residue 167
Atom C of residue 226
Atom NE2 of residue 555
Atom C of residue 474
Atom O of residue 501
Atom C of residue 651
Atom O of residue 536
Atom CB of residue 295
Atom N of residue 364
Atom CG of residue 250
Atom CB of residue 510
Atom N of residue 570
Atom C of residue 494
Atom CG1 of residue 338
ALA
Atom NZ of residue 186
Atom OE2 of residue 274
Atom N of residue 69
Atom N of residue 290
Atom N of residue 100
Atom CA of residue 119
Atom C of residue 133
Atom C of residue 338
Atom C of residue 329
Atom CD2 of residue 320
Atom O of residue 355
Atom CB of residue 527
SER
Atom CD1 of residue 632
Atom CA of residue 379
Atom C of residue 465
Atom CB of residue 194
Atom CB of residue 659
Atom OD1 of residue 165
Atom C of residue 431
Atom CB of residue 303
Atom CZ3 of residue 72
Atom C of residue 42
ALA
GLU
Atom CB of residue 149
Atom CB of residue 286
Atom CB of residue 22
Atom O of residue 113
Atom CB of residue 124
Atom CA of residue 674
Atom CD2 of residue 133
Atom CD1 of residue 173
Atom O of residue 375
Atom OD1 of residue 320
Atom O of residue 399
Atom C of residue 94
Atom O of residue 202
SER
Atom CD of residue 482
Atom N of residue 77
Atom O of residue 164
Atom N of residue 407
Atom O of residue 157
Atom N of residue 104
Atom CD1 of residue 31
Atom CE2 of residue 266
Atom O of residue 457
Atom C of residue 545
Atom NH1 of residue 312
Atom N of residue 142
PRO
Atom N of residue 347
Atom CG2 of residue 624
Atom OE1 of residue 1
SER
SER
PRO
Atom OG of residue 447
LEU
Atom O of residue 235
Atom CD2 of residue 439
Atom CG2 of residue 338
SER
Atom OG1 of residue 408
Atom CB of residue 218
PHE
Atom CG of residue 244
Atom CG of residue 243
Atom N of residue 195
Atom CZ of residue 363
Atom O of residue 494
LEU
Atom O of residue 474
Atom CZ of residue 346
PRO
ASP
Atom N of residue 298
Atom CA of residue 146
Atom O of residue 182
Atom N of residue 203
Atom C of residue 210
Atom N of residue 329
Atom C of residue 186
THR
Atom C of residue 187
Atom N of residue 643
Atom O of residue 133
Atom CG of residue 659
Atom C of residue 393
Atom CG of residue 416
Atom C of residue 616
Atom CB of residue 78
Atom CA of residue 107
Atom CG of residue 124
Atom NH1 of residue 237
Atom C of residue 591
Atom CH2 of residue 156
Atom CE2 of residue 355
Atom CD2 of residue 632
ALA
Atom CG1 of residue 277
Atom N of residue 306
Atom O of residue 66
Atom C of residue 379
Atom O of residue 226
Atom O of residue 431
Atom N of residue 259
Atom CB of residue 113
Atom N of residue 519
Atom CB of residue 536
Atom CB of residue 209
Atom CD of residue 250
PHE
Atom O of residue 465
Atom CD of residue 426
Atom CB of residue 501
Atom CG2 of residue 408
Atom C of residue 608
Atom CB of residue 80
Atom C of residue 355
Atom CG of residue 149
Atom CG of residue 22
Atom CA of residue 565
Atom CA of residue 69
Atom N of residue 376
Atom OE1 of residue 274
Atom N of residue 203
Atom O of residue 13
Atom N of residue 236
Atom C of residue 281
Atom CB of residue 73
Atom CA of residue 242
Atom O of residue 94
Atom CA of residue 72
Atom CZ of residue 266
Atom CB of residue 95
Atom CA of residue 391
ALA
Atom CG of residue 218
Atom CG of residue 295
Atom CG1 of residue 624
Atom CG of residue 510
Atom CA of residue 599
Atom CA of residue 58
Atom C of residue 63
Atom CB of residue 164
Atom N of residue 556
Atom CB of residue 474
Atom OD2 of residue 320
Atom N of residue 400
Atom CA of residue 112
Atom O of residue 616
Atom NE2 of residue 387
Atom CB of residue 424
Atom CG of residue 553
Atom CB of residue 494
Atom OE1 of residue 482
Atom NH1 of residue 346
Atom CA of residue 134
Atom N of residue 236
ARG
Atom CA of residue 364
THR
Atom O of residue 338
Atom C of residue 146
Atom CB of residue 107
Atom CD of residue 124
Atom O of residue 50
THR
Atom CB of residue 167
Atom CE2 of residue 418
Atom CZ of residue 682
Atom OD2 of residue 165
Atom CA of residue 329
Atom O of residue 651
Atom CA of residue 290
Atom N of residue 134
Atom CZ of residue 355
Atom C of residue 127
Atom NH2 of residue 237
Atom C of residue 268
Atom CB of residue 465
Atom CD1 of residue 244
Atom N of residue 633
Atom CA of residue 384
Atom C of residue 391
Atom CA of residue 440
Atom CG2 of residue 277
Atom CA of residue 306
Atom CD2 of residue 173
Atom O of residue 379
Atom OD1 of residue 149
TRP
Atom C of residue 565
GLY
Atom CG of residue 209
Atom N of residue 62
Atom C of residue 150
LEU
Atom O of residue 329
Atom O of residue 591
Atom C of residue 408
Atom CD of residue 218
Atom N of residue 14
Atom CG1 of residue 194
THR
Atom CB of residue 235
Atom O of residue 281
Atom NH2 of residue 312
Atom CB of residue 94
Atom CG of residue 303
Atom O of residue 186
Atom N of residue 67
Atom CA of residue 376
Atom O of residue 187
HIS
Atom CA of residue 570
Atom O of residue 393
Atom O of residue 42
Atom CB of residue 67
VAL
PHE
Atom N of residue 157
Atom CD1 of residue 320
Atom CG of residue 73
Atom C of residue 242
Atom OD1 of residue 416
Atom O of residue 608
Atom N of residue 356
Atom CB of residue 457
Atom SG of residue 527
Atom CD1 of residue 84
Atom O of residue 545
Atom CD of residue 243
Atom CB of residue 142
Atom CB of residue 338
Atom OE1 of residue 426
Atom N of residue 183
Atom C of residue 249
Atom N of residue 158
Atom CG of residue 286
GLY
Atom CG1 of residue 474
Atom CA of residue 400
Atom OG1 of residue 95
Atom N of residue 408
Atom N of residue 448
Atom CG1 of residue 424
Atom C of residue 338
Atom OE2 of residue 482
Atom CD of residue 659
Atom O of residue 210
Atom CB of residue 651
Atom NH2 of residue 346
Atom CB of residue 329
ALA
GLN
Atom O of residue 146
Atom O of residue 268
Atom CG1 of residue 536
Atom CZ of residue 418
Atom C of residue 599
Atom N of residue 227
Atom OG1 of residue 107
Atom CG of residue 501
Atom CB of residue 379
Atom N of residue 356
Atom CD2 of residue 31
Atom CE1 of residue 439
Atom C of residue 74
Atom CB of residue 616
Atom CE1 of residue 244
Atom CD of residue 384
Atom C of residue 440
TYR
LEU
Atom NH1 of residue 682
Atom N of residue 432
Atom CA of residue 259
Atom O of residue 565
Atom CA of residue 519
Atom C of residue 364
Atom CA of residue 100
Atom CB of residue 393
GLU
Atom C of residue 274
Atom CG of residue 133
Atom C of residue 155
Atom C of residue 119
Atom C of residue 165
Atom CB of residue 112
Atom CD of residue 22
Atom CG of residue 113
Atom O of residue 391
Atom CA of residue 134
Atom N of residue 211
Atom CB of residue 58
Atom N of residue 388
Atom C of residue 173
Atom CG of residue 494
Atom N of residue 528
Atom CA of residue 104
Atom ND1 of residue 553
Atom N of residue 625
Atom NE2 of residue 1
Atom N of residue 339
Atom O of residue 94
Atom CB of residue 591
Atom CG2 of residue 424
Atom CG of residue 167
Atom CD of residue 295
Atom NE of residue 250
Atom CD of residue 510
Atom N of residue 282
Atom CD1 of residue 286
Atom CA of residue 556
Atom CD of residue 303
Atom C of residue 363
Atom N of residue 51
Atom CB of residue 306
Atom C of residue 570
Atom N of residue 43
Atom CG of residue 164
Atom CB of residue 545
SER
Atom CB of residue 69
Atom CB of residue 268
THR
Atom CB of residue 187
Atom O of residue 242
Atom CG of residue 651
Atom N of residue 238
Atom CB of residue 80
Atom C of residue 403
Atom CA of residue 347
Atom CB of residue 608
ALA
Atom O of residue 230
GLY
Atom SG of residue 457
Atom CE of residue 243
Atom CE of residue 124
Atom CA of residue 203
Atom CG2 of residue 194
Atom O of residue 74
Atom N of residue 394
Atom CA of residue 227
Atom C of residue 674
GLN
Atom CD of residue 209
Atom NH2 of residue 682
Atom CD2 of residue 565
Atom O of residue 408
ASN
GLY
Atom C of residue 439
Atom OG of residue 465
Atom CB of residue 384
Atom O of residue 67
Atom CB of residue 290
Atom O of residue 440
LEU
Atom NE of residue 659
Atom OD2 of residue 416
ALA
Atom N of residue 392
Atom O of residue 127
Atom NE1 of residue 320
Atom CB of residue 100
Atom CA of residue 203
Atom CD of residue 73
THR
Atom CA of residue 195
Atom O of residue 388
Atom OG1 of residue 94
Atom CB of residue 329
Atom CD of residue 501
Atom CA of residue 236
Atom O of residue 150
GLU
GLY
Atom CD1 of residue 474
Atom OE1 of residue 218
Atom C of residue 266
Atom C of residue 1
Atom CA of residue 339
Atom N of residue 182
VAL
Atom O of residue 173
Atom C of residue 31
Atom O of residue 119
Atom N of residue 321
THR
LEU
Atom OG of residue 112
Atom C of residue 312
Atom CD2 of residue 244
Atom C of residue 142
Atom N of residue 278
Atom O of residue 338
Atom O of residue 274
Atom C of residue 347
Atom CD of residue 167
Atom CA of residue 103
Atom NE of residue 295
Atom CZ of residue 250
Atom N of residue 419
Atom NE of residue 510
Atom NE of residue 22
Atom O of residue 238
Atom O of residue 363
Atom OG1 of residue 290
Atom CG1 of residue 80
Atom CA of residue 43
Atom O of residue 599
GLY
Atom N of residue 187
Atom O of residue 249
Atom CG of residue 268
Atom CD2 of residue 553
Atom CB of residue 74
Atom CG of residue 616
Atom C of residue 346
Atom OG of residue 329
Atom O of residue 403
Atom CD of residue 494
Atom CB of residue 242
Atom CB of residue 146
TYR
Atom CB of residue 236
ALA
Atom CA of residue 394
Atom CA of residue 95
Atom CB of residue 440
Atom CG2 of residue 536
Atom O of residue 364
Atom CG of residue 379
Atom CA of residue 356
MET
Atom CA of residue 298
Atom CD2 of residue 286
LEU
Atom CB of residue 127
Atom CB of residue 119
Atom CB of residue 230
ASP
Atom OD2 of residue 149
Atom O of residue 165
Atom ND1 of residue 113
Atom CG of residue 69
Atom CA of residue 643
Atom CA of residue 432
Atom CE2 of residue 320
Atom OG1 of residue 100
THR
Atom OG of residue 58
Atom CD of residue 164
Atom CA of residue 244
Atom CA of residue 633
Atom C of residue 195
Atom CA of residue 448
Atom CB of residue 400
Atom O of residue 1
Atom NE of residue 303
Atom CG of residue 591
Atom C of residue 424
Atom N of residue 210
Atom OE2 of residue 426
Atom CG2 of residue 474
Atom N of residue 409
Atom O of residue 155
ALA
Atom O of residue 266
Atom C of residue 194
Atom C of residue 203
Atom NE of residue 73
ALA
Atom OD2 of residue 70
Atom OG1 of residue 187
Atom N of residue 483
Atom O of residue 570
Atom CA of residue 528
Atom C of residue 416
Atom CA of residue 356
Atom O of residue 312
Atom CG2 of residue 107
Atom CE1 of residue 565
Atom CB of residue 238
Atom CA of residue 157
GLN
Atom SG of residue 608
Atom CA of residue 14
Atom CB of residue 298
Atom OD1 of residue 651
Atom CB of residue 249
Atom CZ of residue 295
Atom CE1 of residue 553
Atom NH1 of residue 250
SER
Atom CZ of residue 510
Atom N of residue 458
Atom CG2 of residue 94
Atom CB of residue 259
Atom NZ of residue 124
Atom CB of residue 203
Atom C of residue 519
Atom N of residue 364
Atom CB of residue 403
Atom O of residue 439
Atom CB of residue 150
Atom C of residue 643
GLY
Atom CB of residue 599
HIS
Atom O of residue 142
Atom O of residue 674
Atom N of residue 339
LYS
Atom OG of residue 545
Atom O of residue 346
Atom O of residue 347
Atom CG of residue 306
Atom C of residue 236
Atom N of residue 466
Atom CA of residue 211
Atom C of residue 112
Atom NZ of residue 243
Atom CB of residue 388
Atom CG of residue 119
Atom C of residue 58
Atom CA of residue 310
Atom N of residue 537
Atom NE of residue 167
Atom CB of residue 364
Atom OG of residue 127
Atom CG2 of residue 290
Atom CA of residue 158
Atom CG of residue 230
Atom CB of residue 570
Atom N of residue 166
Atom CG of residue 384
Atom C of residue 448
Atom C of residue 14
Atom CA of residue 282
Atom CZ of residue 303
Atom NE2 of residue 218
Atom CE3 of residue 320
Atom N of residue 70
Atom N of residue 243
Atom CG of residue 146
Atom C of residue 633
Atom O of residue 195
Atom CA of residue 51
Atom O of residue 31
Atom CA of residue 321
Atom O of residue 85
Atom CB of residue 674
Atom CA of residue 210
Atom CA of residue 483
Atom HET:HG   of residue 693
Atom CA of residue 83
Atom N of residue 287
Atom CE2 of residue 244
Atom OG of residue 329
Atom OE1 of residue 501
Atom CA of residue 409
TYR
Atom N of residue 267
Atom CZ of residue 22
PRO
Atom CD1 of residue 69
Atom N of residue 313
Atom C of residue 107
Atom CD1 of residue 268
Atom C of residue 157
Atom CA of residue 278
Atom OG1 of residue 400
Atom C of residue 356
Atom CG of residue 298
Atom N of residue 165
Atom CB of residue 432
Atom CG of residue 429
Atom OG of residue 249
Atom N of residue 330
Atom N of residue 174
Atom NH2 of residue 250
PHE
Atom O of residue 203
ARG
Atom CG of residue 259
Atom CD2 of residue 113
Atom CA of residue 392
Atom O of residue 519
Atom CG2 of residue 80
Atom CG of residue 403
Atom O of residue 424
Atom CA of residue 625
Atom N of residue 440
Atom CA of residue 187
Atom N of residue 156
Atom CD1 of residue 379
Atom C of residue 310
Atom O of residue 14
Atom CG2 of residue 187
Atom CD of residue 616
ALA
Atom O of residue 84
Atom CG of residue 238
Atom N of residue 609
Atom CE of residue 494
Atom O of residue 643
Atom CZ of residue 659
Atom N of residue 2
Atom O of residue 58
Atom CB of residue 407
Atom C of residue 321
ILE
Atom N of residue 427
PRO
Atom CB of residue 158
Atom CD1 of residue 306
Atom CG of residue 570
Atom OG of residue 599
Atom C of residue 356
Atom CA of residue 475
Atom CG of residue 440
Atom CB of residue 134
Atom CA of residue 419
LEU
Atom C of residue 124
Atom N of residue 275
Atom O of residue 448
Atom CB of residue 347
Atom CA of residue 243
Atom N of residue 389
Atom CB of residue 51
Atom N of residue 32
Atom CB of residue 376
Atom C of residue 149
Atom N of residue 546
Atom N of residue 675
HIS
GLU
Atom CZ of residue 167
Atom CG of residue 364
Atom CG of residue 150
GLY
Chain P
Atom CZ of residue 244
Atom OE2 of residue 501
Atom OD2 of residue 651
Atom ND1 of residue 591
Atom C of residue 218
Atom CA of residue 107
Atom O of residue 194
Atom C of residue 68
Atom NH1 of residue 22
Atom C of residue 384
Atom CB of residue 79
PRO
Atom N of residue 244
Atom CD2 of residue 259
Atom CE1 of residue 113
Atom NE2 of residue 565
Atom CG1 of residue 203
Atom N of residue 520
Atom O of residue 157
Atom C of residue 278
Atom CD1 of residue 119
Atom CZ of residue 73
Atom O of residue 416
Atom C of residue 227
Atom O of residue 112
CYS
Atom O of residue 633
Atom C of residue 329
Atom CB of residue 195
Atom NH1 of residue 295
Atom C of residue 625
Atom NH1 of residue 510
Atom CB of residue 211
Atom C of residue 528
Atom N of residue 15
Atom CG of residue 134
Atom ND1 of residue 187
Atom C of residue 290
Atom C of residue 85
Atom CG2 of residue 100
Atom CB of residue 643
GLY
Atom O of residue 356
Atom CB of residue 282
LEU
Atom N of residue 143
Atom N of residue 128
Atom C of residue 339
SER
ALA
Atom N of residue 617
Atom O of residue 310
Atom N of residue 81
Atom NZ of residue 494
Atom CB of residue 43
MET
ARG
Atom C of residue 432
Atom CD1 of residue 429
SER
Atom CB of residue 203
LYS
Atom OD1 of residue 146
Atom O of residue 107
Atom O of residue 124
Atom CB of residue 448
Atom CA of residue 364
Atom CG of residue 158
HIS
Atom CD1 of residue 230
ALA
ASN
Atom CA of residue 339
Atom NH1 of residue 659
Atom CA of residue 458
LYS
Atom CD2 of residue 69
GLN
Atom O of residue 236
Atom O of residue 528
HG
Atom CA of residue 389
Atom N of residue 475
Atom N of residue 347
Atom O of residue 218
Atom CG of residue 51
Atom CG of residue 376
Atom O of residue 68
Atom O of residue 149
Atom O of residue 356
Atom CD1 of residue 406
Atom CD2 of residue 268
Atom CA of residue 675
Atom CA of residue 537
Atom C of residue 210
Atom C of residue 419
Atom C of residue 83
Atom N of residue 250
Atom CD2 of residue 591
Atom C of residue 107
Atom NE2 of residue 553
Atom N of residue 600
Atom CA of residue 486
Atom C of residue 71
GLY
Atom N of residue 95
Atom CA of residue 143
Atom CG2 of residue 347
Atom N of residue 417
Atom CD1 of residue 298
Atom NH2 of residue 295
Atom CG of residue 643
Atom NH2 of residue 510
MET
Atom CB of residue 392
Atom OD1 of residue 238
Atom CD of residue 403
Atom CD of residue 364
Atom CD1 of residue 150
Atom CA of residue 466
Atom CB of residue 310
Atom CB of residue 409
Atom CA of residue 267
Atom N of residue 195
Atom CA of residue 287
Atom O of residue 625
Atom OD1 of residue 570
ALA
Atom CG2 of residue 203
VAL
Atom CD of residue 158
VAL
Atom CD1 of residue 440
Atom O of residue 278
Atom N of residue 188
Atom CG2 of residue 83
Atom N of residue 113
Atom NH1 of residue 303
Atom CB of residue 633
LYS
Atom CD2 of residue 306
Atom CZ2 of residue 320
Atom NH2 of residue 659
Atom CG of residue 282
Atom OD2 of residue 146
Atom CA of residue 313
Atom C of residue 486
Atom N of residue 502
Atom CA of residue 15
Atom N of residue 425
ALA
Atom CA of residue 440
Atom CD2 of residue 379
Atom N of residue 59
Atom CG of residue 187
VAL
Atom CD1 of residue 376
Atom C of residue 100
Atom O of residue 321
Atom N of residue 357
Atom C of residue 458
Atom CA of residue 275
GLY
Atom CE1 of residue 69
Atom OE1 of residue 87
Atom NH1 of residue 73
ALA
Atom O of residue 384
Atom CD1 of residue 259
ALA
SER
Atom N of residue 150
Atom O of residue 432
Atom CD2 of residue 429
Atom CG1 of residue 140
Atom CG of residue 195
LYS
Atom CA of residue 330
Atom CB of residue 64
Atom CD2 of residue 119
Atom OG1 of residue 203
Atom CG2 of residue 400
GLN
Atom O of residue 227
Atom CA of residue 166
Atom CA of residue 427
Atom CA of residue 165
Atom N of residue 108
Atom CA of residue 125
Atom CE1 of residue 591
Atom CD of residue 364
Atom N of residue 237
Atom O of residue 107
Atom N of residue 554
Atom C of residue 250
Atom CA of residue 2
Atom CG of residue 211
Atom O of residue 339
Atom C of residue 244
Atom CA of residue 71
Atom CB of residue 157
Atom OG1 of residue 347
Atom N of residue 495
Atom CD1 of residue 134
Atom O of residue 419
Atom CB of residue 528
HIS
Atom O of residue 329
Atom CB of residue 565
Atom CA of residue 219
Atom CE1 of residue 379
Atom N of residue 357
Atom C of residue 537
ASP
Atom C of residue 466
Atom N of residue 652
Atom C of residue 203
LEU
Atom CB of residue 233
Atom CA of residue 600
Atom NH2 of residue 22
ALA
ASP
Atom O of residue 290
Atom CD2 of residue 230
Atom OD2 of residue 570
Atom C of residue 394
Atom CG of residue 43
Atom CA of residue 617
Atom CA of residue 520
Atom OE1 of residue 158
Atom NE2 of residue 87
SER
Atom CB of residue 339
Atom N of residue 228
Atom CB of residue 166
Atom NH2 of residue 303
Atom CG2 of residue 633
Atom NE2 of residue 113
Atom CA of residue 609
Atom CZ3 of residue 320
Atom C of residue 483
Atom CB of residue 321
Atom N of residue 147
ALA
Atom OG1 of residue 448
Atom OE1 of residue 403
ASP
Atom CD2 of residue 150
Atom CD of residue 211
Atom CA of residue 174
Atom CD2 of residue 376
Atom C of residue 267
Atom CB of residue 68
Atom O of residue 458
Atom C of residue 287
Atom CG of residue 392
Atom CB of residue 275
Atom CB of residue 625
Atom NH2 of residue 73
Atom CG of residue 165
Atom N of residue 385
Atom NE1 of residue 259
Atom CB of residue 78
Atom CA of residue 347
Atom CD1 of residue 51
Atom CB of residue 278
ASN
Atom OH of residue 244
ASN
Atom C of residue 330
Atom O of residue 210
Atom SD of residue 282
Atom CB of residue 339
Atom CD2 of residue 298
Atom C of residue 427
Atom O of residue 486
Atom NH1 of residue 167
Atom CB of residue 107
Atom O of residue 250
Atom ND1 of residue 643
Atom C of residue 400
Atom HET:HG   of residue 694
ARG
Atom CB of residue 187
Atom CD2 of residue 440
Atom ND1 of residue 440
Atom CE1 of residue 64
CYS
Atom CE1 of residue 429
Atom CE2 of residue 69
Atom CA of residue 32
ARG
Atom CD2 of residue 134
Atom CB of residue 419
Atom CA of residue 417
Atom OG of residue 166
Atom N of residue 269
Atom C of residue 609
Atom O of residue 466
Atom CA of residue 668
Atom C of residue 433
Atom CG1 of residue 310
Atom CA of residue 95
VAL
Atom CA of residue 84
SER
Atom N of residue 296
GLN
Atom O of residue 100
Atom N of residue 511
Atom CB of residue 82
Atom CD of residue 313
Atom N of residue 125
Atom CG of residue 409
Atom CB of residue 364
Atom N of residue 291
Atom CE1 of residue 306
Atom O of residue 483
Atom O of residue 394
Atom CD of residue 43
CYS
Atom C of residue 475
Atom CG of residue 157
Atom C of residue 87
Atom CA of residue 188
ALA
Atom CA of residue 546
Atom N of residue 114
Atom CG of residue 565
Atom CB of residue 347
THR
Atom CG2 of residue 203
Atom CG of residue 321
ARG
VAL
Atom CA of residue 502
Atom CD1 of residue 392
Atom N of residue 219
Atom CA of residue 425
Atom OE1 of residue 211
Atom CB of residue 2
Atom O of residue 203
Atom CB of residue 174
Atom N of residue 365
Atom CB of residue 32
Atom N of residue 69
Atom N of residue 571
Atom N of residue 74
Atom CD of residue 165
Atom C of residue 617
ALA
Atom N of residue 330
Atom C of residue 520
Atom CG of residue 528
Atom C of residue 244
Atom N of residue 304
Atom CA of residue 388
Atom CA of residue 238
Atom N of residue 441
Atom CH2 of residue 320
Atom N of residue 668
Atom O of residue 427
Atom N of residue 148
Atom OG1 of residue 633
Atom CD of residue 195
Atom CG2 of residue 448
Atom NE2 of residue 591
Atom NH2 of residue 167
Atom N of residue 251
Atom CE1 of residue 150
Atom C of residue 134
Atom C of residue 22
Atom CD2 of residue 187
Atom O of residue 537
Atom O of residue 400
Atom C of residue 166
Atom O of residue 287
Atom C of residue 546
Atom CG of residue 275
Atom CA of residue 102
Atom N of residue 348
Atom CB of residue 210
Atom CB of residue 62
Atom CA of residue 495
Atom O of residue 267
Atom CA of residue 195
Atom CA of residue 433
Atom CB of residue 425
VAL
Atom N of residue 231
ALA
Atom CA of residue 357
Atom O of residue 244
GLU
Atom CB of residue 483
Atom N of residue 395
Atom C of residue 298
Atom N of residue 433
Atom CB of residue 486
Atom C of residue 376
Atom N of residue 101
GLU
Atom CG of residue 339
Atom CA of residue 150
SER
Atom CA of residue 652
VAL
Atom CG of residue 440
Atom CE of residue 43
Atom CG of residue 80
Atom CZ of residue 69
Atom C of residue 188
Atom ND1 of residue 417
Atom CB of residue 143
Atom CA of residue 128
Atom CA of residue 113
Atom CD of residue 409
SER
Atom NE2 of residue 158
Atom CD2 of residue 51
Atom O of residue 609
Atom CG2 of residue 310
Atom C of residue 95
GLY
Atom C of residue 32
Atom CB of residue 195
Atom CA of residue 69
Atom CB of residue 458
Atom C of residue 600
Atom CA of residue 357
LEU
Atom CA of residue 108
Atom CG of residue 364
Atom O of residue 82
Atom CB of residue 537
Atom CE2 of residue 306
Atom CD2 of residue 643
Atom N of residue 120
Atom NE of residue 165
Atom OE2 of residue 403
Atom CA of residue 237
Atom CA of residue 554
Atom O of residue 22
Atom O of residue 244
VAL
Atom C of residue 388
Atom OG of residue 347
Atom C of residue 238
Atom C of residue 320
Atom CD1 of residue 339
Atom N of residue 204
SER
SER
Atom OE1 of residue 195
Atom C of residue 502
Atom C of residue 652
Atom N of residue 592
Atom N of residue 168
Atom O of residue 64
Atom CE2 of residue 379
Atom OG of residue 419
Atom CA of residue 88
Atom CA of residue 228
SER
Atom N of residue 204
Atom OG of residue 174
Atom OG1 of residue 339
Atom CA of residue 59
Atom O of residue 546
Atom CE2 of residue 429
Atom CA of residue 250
Atom O of residue 330
Atom CG of residue 107
Atom N of residue 626
Atom O of residue 617
Atom CD1 of residue 78
Atom CA of residue 296
ALA
Atom CA of residue 511
Atom CB of residue 313
Atom CE2 of residue 259
Atom OD1 of residue 157
Atom CG of residue 278
Atom O of residue 87
Atom N of residue 467
Atom CG of residue 483
Atom CE of residue 282
ILE
Atom O of residue 298
ALA
Atom CA of residue 385
Atom ND1 of residue 565
GLN
Atom O of residue 134
Atom OD1 of residue 321
Atom C of residue 128
Atom CA of residue 291
Atom CA of residue 441
Atom C of residue 554
Atom OE2 of residue 211
Atom CG of residue 2
Atom N of residue 245
Atom NE2 of residue 187
Atom CD of residue 275
LEU
Atom N of residue 268
LYS
Atom OG of residue 5
Atom CB of residue 15
Atom CG of residue 425
Atom O of residue 32
Atom C of residue 231
Atom CB of residue 113
Atom CB of residue 108
Atom O of residue 475
Atom O of residue 520
PRO
Atom O of residue 433
Atom CG of residue 143
Atom CA of residue 365
Atom O of residue 376
Atom CD2 of residue 392
Atom CA of residue 269
Atom CB of residue 440
Atom OG1 of residue 195
Atom CZ of residue 165
Atom CG of residue 313
Atom N of residue 634
Atom C of residue 675
Atom C of residue 158
Atom CA of residue 409
Atom O of residue 188
LEU
Atom N of residue 401
Atom CB of residue 357
Atom CB of residue 88
Atom CG of residue 417
Atom CB of residue 287
Atom N of residue 23
Atom O of residue 320
Atom CD2 of residue 339
ASP
Atom CD1 of residue 528
Atom CB of residue 427
Atom CB of residue 546
Atom OE2 of residue 195
Atom C of residue 250
Atom CB of residue 330
Atom CB of residue 219
Atom CB of residue 82
Atom CE1 of residue 51
Atom CB of residue 609
ALA
Atom O of residue 95
Atom CZ of residue 379
Atom CG of residue 458
Atom O of residue 600
Atom O of residue 166
Atom CB of residue 59
Atom CZ of residue 429
Atom CZ of residue 306
Atom C of residue 174
CYS
LYS
Atom CB of residue 150
Atom CG2 of residue 233
Atom CG of residue 210
Atom CE2 of residue 150
Atom CD of residue 412
Atom NZ of residue 43
Atom N of residue 245
Atom CA of residue 304
Atom CE3 of residue 259
Atom C of residue 347
Atom ND2 of residue 157
Atom CD of residue 278
Atom CA of residue 484
Atom C of residue 282
Atom SD of residue 2
Atom N of residue 299
Atom CA of residue 433
Atom CB of residue 520
Atom CA of residue 592
Atom CA of residue 251
Atom C of residue 81
Atom C of residue 357
Atom CA of residue 114
Atom CB of residue 125
Atom O of residue 502
THR
Atom O of residue 128
Atom O of residue 675
Atom C of residue 365
Atom CB of residue 475
Atom C of residue 364
Atom N of residue 404
Atom CG of residue 537
Atom CD1 of residue 107
Atom O of residue 554
Atom C of residue 147
Atom CD of residue 143
Atom C of residue 296
Atom C of residue 511
Atom CG of residue 287
Atom CB of residue 617
Atom OE1 of residue 409
Atom C of residue 441
Atom CG of residue 15
Atom CB of residue 237
PRO
Atom C of residue 495
Atom CG1 of residue 108
TYR
Atom CA of residue 377
ALA
Atom SG of residue 486
Atom CD2 of residue 78
Atom C of residue 392
Atom C of residue 269
Atom CB of residue 291
Atom CD2 of residue 440
Atom C of residue 211
Atom CA of residue 395
Atom CB of residue 228
Atom C of residue 313
Atom N of residue 223
Atom N of residue 449
GLY
Atom C of residue 668
Atom CA of residue 401
Atom CG2 of residue 339
Atom CB of residue 95
Atom CB of residue 313
Atom N of residue 80
Atom OD1 of residue 425
Atom N of residue 420
Atom CD2 of residue 528
Atom CG1 of residue 113
Atom N of residue 331
Atom O of residue 250
Atom CE2 of residue 51
Atom CA of residue 168
Atom CA of residue 204
Atom NE of residue 412
Atom CD1 of residue 483
Atom SG of residue 357
Atom CG of residue 59
Atom N of residue 430
Atom CB of residue 385
Atom C of residue 114
Atom O of residue 652
Atom CB of residue 675
Atom N of residue 88
Atom CA of residue 626
Atom CE1 of residue 643
Atom O of residue 72
Atom CA of residue 120
Atom OD2 of residue 321
Atom C of residue 5
GLY
Atom CD1 of residue 82
Atom CZ of residue 150
Atom CB of residue 188
Atom CA of residue 571
Atom CB of residue 433
Atom N of residue 129
Atom N of residue 158
Atom OE1 of residue 278
Atom CA of residue 348
Atom N of residue 135
Atom CB of residue 417
Atom N of residue 428
Atom CA of residue 330
Atom CE1 of residue 187
Atom CA of residue 233
PRO
Atom CB of residue 554
Atom N of residue 321
ALA
ARG
Atom N of residue 380
Atom CB of residue 600
Atom N of residue 476
Atom OG of residue 125
Atom OD1 of residue 15
Atom O of residue 174
Atom N of residue 311
Atom C of residue 69
HIS
Atom C of residue 43
Atom CD1 of residue 287
Atom O of residue 357
TYR
Atom N of residue 96
Atom OG1 of residue 313
Atom CA of residue 101
Atom O of residue 495
VAL
Atom O of residue 282
Atom CE of residue 2
Atom CB of residue 433
Atom CD of residue 210
Atom CB of residue 251
Atom CE1 of residue 339
ARG
Atom CB of residue 147
Atom N of residue 487
Atom CB of residue 502
Atom O of residue 392
Atom O of residue 269
Atom O of residue 365
Atom C of residue 395
CYS
Atom CB of residue 250
Atom O of residue 441
Atom ND1 of residue 537
Atom CD of residue 458
Atom N of residue 167
Atom CB of residue 330
Atom CZ2 of residue 259
Atom CG of residue 78
Atom CE of residue 275
Atom C of residue 425
Atom OH of residue 306
Atom O of residue 296
ALA
Atom O of residue 511
Atom C of residue 571
Atom CG of residue 150
Atom N of residue 529
Atom CD of residue 59
Atom N of residue 196
Atom CB of residue 652
Atom CA of residue 204
Atom CG1 of residue 675
Atom CA of residue 79
Atom CA of residue 268
Atom C of residue 304
Atom CG1 of residue 520
Atom OG of residue 219
Atom N of residue 33
Atom CZ of residue 412
Atom N of residue 340
Atom CG of residue 546
Atom CG1 of residue 291
Atom C of residue 120
Atom CA of residue 142
Atom C of residue 348
Atom NE2 of residue 440
Atom CB of residue 101
Atom O of residue 308
Atom CA of residue 23
LEU
ASP
Atom NE2 of residue 278
Atom N of residue 618
Atom C of residue 187
PRO
Atom C of residue 168
Atom CG of residue 72
Atom CG2 of residue 195
Atom O of residue 5
Atom C of residue 165
Atom O of residue 158
Atom CG of residue 609
VAL
Atom C of residue 357
Atom CA of residue 476
Atom O of residue 114
Atom OG of residue 237
Atom CD2 of residue 107
Atom C of residue 626
Atom CB of residue 495
PRO
Atom O of residue 69
Atom O of residue 364
Atom CD2 of residue 82
Atom N of residue 151
Atom CG of residue 433
Atom OG of residue 147
Atom CA of residue 245
ARG
Atom CG of residue 70
Atom CB of residue 269
Atom CA of residue 158
GLN
Atom N of residue 377
Atom NE2 of residue 643
Atom C of residue 204
Atom C of residue 228
Atom O of residue 347
Atom CB of residue 204
Atom CE of residue 143
Atom C of residue 592
Atom NE2 of residue 409
GLY
ASN
SER
Atom CA of residue 245
Atom C of residue 306
Atom OD1 of residue 150
Atom CG of residue 250
Atom CA of residue 404
Atom CD2 of residue 483
LEU
Atom NE of residue 458
Atom OG of residue 330
Atom CZ3 of residue 259
Atom NZ of residue 275
Atom CG of residue 101
Atom CA of residue 467
Atom CA of residue 44
Atom NE of residue 59
Atom CD2 of residue 287
Atom CB of residue 357
Atom O of residue 313
Atom C of residue 385
ILE
Atom CG of residue 652
Atom O of residue 668
Atom N of residue 283
Atom NE2 of residue 417
Atom CA of residue 449
Atom CG2 of residue 520
Model 0
Atom OE1 of residue 210
Atom CE2 of residue 339
Atom CA of residue 80
ASN
TRP
Atom CA of residue 634
Atom CZ of residue 51
Atom N of residue 366
Atom CG of residue 251
Atom O of residue 120
Atom C of residue 237
Atom CA of residue 299
Atom O of residue 228
Atom CG2 of residue 108
ARG
Atom C of residue 219
Atom N of residue 175
LEU
Atom CA of residue 223
Atom CB of residue 114
Atom OD2 of residue 425
Atom CG of residue 554
Atom C of residue 195
LYS
LEU
Atom O of residue 348
Atom CD of residue 609
Atom CA of residue 420
Atom C of residue 2
Atom SD of residue 546
Atom C of residue 433
Atom N of residue 503
Atom CE1 of residue 107
Atom N of residue 322
Atom CA of residue 314
Atom N of residue 70
Atom C of residue 142
Atom N of residue 365
Atom CB of residue 441
Atom CA of residue 83
ALA
Atom O of residue 211
Atom O of residue 43
Atom CA of residue 148
THR
Atom N of residue 644
Atom OG of residue 188
Atom C of residue 268
Atom CG2 of residue 113
PRO
Atom O of residue 385
Atom N of residue 348
Atom OD2 of residue 15
Atom CB of residue 296
TRP
Atom O of residue 168
Atom NH1 of residue 412
Atom CB of residue 511
Atom O of residue 165
Atom CA of residue 487
Atom C of residue 245
Atom CA of residue 311
Atom C of residue 330
Atom CG2 of residue 675
Atom O of residue 306
Atom CD of residue 101
Atom N of residue 72
Atom C of residue 125
Atom CA of residue 331
Atom C of residue 404
Atom CB of residue 668
Atom O of residue 204
Atom CZ of residue 458
Atom SG of residue 600
Atom O of residue 304
Atom C of residue 634
Atom N of residue 393
Atom C of residue 275
Atom CA of residue 129
Atom CG2 of residue 291
Atom CD2 of residue 537
Atom O of residue 237
Atom CA of residue 380
Atom C of residue 467
Atom O of residue 395
Atom OD1 of residue 70
Atom CA of residue 196
Atom CB of residue 120
Atom CB of residue 23
Atom CA of residue 277
Atom CA of residue 430
Atom NZ of residue 143
Atom O of residue 592
Atom N of residue 159
Atom CE1 of residue 440
Atom CA of residue 135
ALA
Atom O of residue 571
Atom CA of residue 96
Atom CA of residue 88
Atom ND2 of residue 150
Atom N of residue 6
Atom CG1 of residue 114
Atom C of residue 409
Atom CG of residue 495
Atom CA of residue 74
Atom N of residue 229
Atom C of residue 108
Atom CA of residue 366
Atom O of residue 626
Atom C of residue 136
Atom CA of residue 529
Atom N of residue 314
Atom C of residue 223
Atom CG2 of residue 313
Atom CD of residue 433
Atom CD2 of residue 417
Atom C of residue 449
Atom CG of residue 406
Atom CE of residue 609
Atom CG1 of residue 296
Atom OE2 of residue 210
Atom C of residue 420
Atom N of residue 512
THR
Atom O of residue 433
Atom CB of residue 304
Atom CE1 of residue 84
Atom CD of residue 251
Atom CB of residue 401
THR
GLU
Atom C of residue 79
Atom CA of residue 340
Atom N of residue 288
Atom CA of residue 428
SER
Atom CB of residue 377
VAL
Atom N of residue 189
Atom O of residue 147
Atom CA of residue 618
Atom N of residue 386
THR
Atom NH2 of residue 412
Atom O of residue 2
Atom CA of residue 167
Atom CZ of residue 59
Atom C of residue 113
Atom O of residue 245
Atom OD1 of residue 652
Atom CG of residue 269
Atom CG1 of residue 441
Atom CB of residue 348
Atom CG of residue 82
Atom O of residue 467
Atom O of residue 117
Atom O of residue 357
Atom N of residue 212
Atom CB of residue 395
Atom CB of residue 165
Atom OG1 of residue 204
Atom CA of residue 676
Atom O of residue 404
Atom O of residue 268
Atom O of residue 195
Atom OG of residue 668
Atom N of residue 601
Atom O of residue 142
Atom C of residue 129
Atom CE1 of residue 537
Atom CB of residue 571
Atom C of residue 430
Atom CD1 of residue 250
Atom O of residue 125
Atom C of residue 331
GLU
Atom N of residue 279
Atom CB of residue 168
Atom C of residue 440
Atom CA of residue 151
Atom CB of residue 135
Atom CE of residue 546
Atom O of residue 634
Atom C of residue 311
Atom OH of residue 51
Atom CB of residue 88
Atom CD of residue 554
Atom C of residue 380
Atom C of residue 150
Atom O of residue 425
Atom CA of residue 65
Atom N of residue 484
Atom CB of residue 116
Atom CB of residue 204
Atom N of residue 44
Atom O of residue 187
TYR
Atom O of residue 275
Atom O of residue 219
Atom C of residue 140
Atom CB of residue 626
Atom O of residue 136
Atom O of residue 420
Atom CG of residue 357
Atom CA of residue 314
Atom O of residue 223
Atom N of residue 314
Atom CB of residue 277
Atom C of residue 196
Atom CB of residue 592
Atom N of residue 676
HIS
Atom CA of residue 283
Atom C of residue 88
Atom CB of residue 299
Atom CG of residue 304
Atom C of residue 476
Atom N of residue 521
Atom C of residue 15
PRO
GLN
Atom CA of residue 70
Atom CA of residue 365
GLU
Atom CA of residue 321
Atom CD of residue 495
Atom CA of residue 322
Atom C of residue 428
Atom CH2 of residue 259
Atom C of residue 291
Atom CB of residue 467
ILE
Atom C of residue 529
Atom CA of residue 348
Atom CB of residue 404
Atom N of residue 238
Atom N of residue 413
Atom OE1 of residue 433
Atom N of residue 3
Atom CB of residue 167
Atom O of residue 113
Atom O of residue 108
Atom O of residue 449
Atom O of residue 409
Atom NZ of residue 609
Atom CG2 of residue 296
Atom N of residue 118
Atom CE of residue 101
Atom N of residue 358
SER
Atom CG1 of residue 395
Atom N of residue 434
Atom CZ of residue 339
CYS
Atom C of residue 23
Atom C of residue 487
Atom O of residue 330
Atom N of residue 307
Atom CE2 of residue 107
Atom C of residue 151
Atom CG of residue 135
Atom CG of residue 571
Atom O of residue 129
Atom OD2 of residue 80
SER
Atom C of residue 618
Atom CA of residue 386
Atom C of residue 143
PRO
Atom NH1 of residue 59
Atom N of residue 547
Atom C of residue 51
Atom N of residue 211
Atom C of residue 321
Atom CA of residue 644
Atom C of residue 322
Atom CG of residue 120
Atom O of residue 150
Atom O of residue 430
Atom CB of residue 223
Atom CG2 of residue 114
Atom OE1 of residue 251
Atom CG of residue 65
Atom N of residue 269
Atom N of residue 196
LEU
LEU
Atom N of residue 188
Atom O of residue 83
Atom CG1 of residue 401
Atom CG of residue 299
Atom CD of residue 357
Atom O of residue 15
Atom O of residue 380
Atom C of residue 340
LEU
Atom C of residue 158
Atom CA of residue 175
Atom CA of residue 512
Atom CE1 of residue 417
Atom O of residue 487
Atom N of residue 635
Atom O of residue 311
Atom CG2 of residue 204
Atom NH2 of residue 97
TYR
Atom O of residue 291
Atom CG of residue 88
Atom O of residue 88
PRO
Atom CG of residue 245
Atom CA of residue 503
Atom ND2 of residue 652
Atom CD of residue 66
Atom CD of residue 269
Atom CA of residue 159
Atom N of residue 426
Atom O of residue 23
Atom O of residue 428
Atom CB of residue 449
Atom OE1 of residue 554
Atom OG1 of residue 377
Atom CG of residue 467
Atom CA of residue 189
Atom N of residue 669
Atom NH1 of residue 458
Atom NE2 of residue 433
Atom C of residue 259
Atom CG of residue 404
GLN
Atom CG of residue 167
Atom N of residue 114
Atom CB of residue 245
Atom O of residue 196
Atom CD2 of residue 250
Atom N of residue 176
PRO
Atom CB of residue 283
VAL
Atom CA of residue 211
Atom CG2 of residue 401
Atom CA of residue 601
Atom CA of residue 147
Atom O of residue 331
Atom CB of residue 70
Atom CB of residue 365
Atom N of residue 220
Atom NE2 of residue 537
Atom CZ of residue 107
Atom N of residue 137
Atom CG of residue 204
Atom CB of residue 314
Atom N of residue 410
Atom SG of residue 626
Atom O of residue 321
Atom O of residue 151
Atom CD of residue 299
Atom O of residue 143
Atom CA of residue 279
GLY
Atom C of residue 339
GLY
Atom N of residue 109
Atom O of residue 51
Atom CG of residue 348
Atom N of residue 297
LEU
ALA
Atom N of residue 126
ALA
Atom C of residue 366
Atom CB of residue 44
Atom CD1 of residue 304
Atom N of residue 331
LYS
Atom C of residue 503
TYR
Atom CB of residue 420
Atom CA of residue 212
Atom CB of residue 311
Atom C of residue 204
Atom CG of residue 449
Atom CD2 of residue 557
Atom CB of residue 380
Atom CG of residue 74
Atom O of residue 529
Atom CA of residue 6
Atom O of residue 618
Atom N of residue 115
Atom CA of residue 393
Atom O of residue 158
Atom CB of residue 175
Atom C of residue 417
Atom CB of residue 428
Atom CA of residue 521
THR
Atom CA of residue 288
PRO
Atom CB of residue 159
Atom O of residue 81
Atom N of residue 16
VAL
Atom CB of residue 33
Atom ND1 of residue 65
Atom NZ of residue 101
HIS
Atom N of residue 24
GLU
Atom NE of residue 495
Atom NH2 of residue 458
Atom NE of residue 357
SER
Atom O of residue 259
Atom O of residue 476
Atom N of residue 276
Atom CD1 of residue 571
Atom CA of residue 413
GLY
Atom C of residue 512
Atom CB of residue 487
Atom CB of residue 348
Atom CG of residue 592
Atom N of residue 98
THR
Atom N of residue 292
Atom CB of residue 151
Atom C of residue 484
Atom C of residue 401
Atom CB of residue 212
Atom CB of residue 245
Atom CD1 of residue 245
Atom NE of residue 66
ALA
Atom N of residue 538
Atom C of residue 644
PHE
Atom CD of residue 120
Atom CG2 of residue 395
Atom CB of residue 393
Atom O of residue 440
GLU
Atom CB of residue 430
Atom CG of residue 311
Atom CA of residue 144
Atom C of residue 279
Atom CD of residue 88
Atom O of residue 339
PHE
Atom N of residue 246
Atom CB of residue 196
Atom OE1 of residue 269
GLY
Atom CD1 of residue 348
LEU
Atom CA of residue 358
Atom OG1 of residue 283
Atom CG of residue 88
Atom CA of residue 434
GLY
Atom N of residue 610
Atom O of residue 340
Atom CD of residue 6
Atom CA of residue 188
Atom CB of residue 476
Atom OG1 of residue 70
Atom CG of residue 365
Atom OH of residue 107
Atom CG2 of residue 377
Atom NE2 of residue 251
Atom CA of residue 118
Atom OD1 of residue 135
Atom O of residue 322
Atom OD1 of residue 204
Atom N of residue 421
Atom N of residue 151
Atom SG of residue 223
Atom CB of residue 129
Atom CE1 of residue 557
PHE
Atom OG1 of residue 348
Atom N of residue 251
Atom OG of residue 175
Atom O of residue 366
Atom CG of residue 33
Atom CD of residue 467
ALA
Atom C of residue 521
Atom CD of residue 404
Atom CA of residue 256
LYS
Atom N of residue 260
Atom CG of residue 159
ARG
Atom CA of residue 547
Atom CD2 of residue 304
Atom O of residue 503
Atom CZ of residue 495
Atom N of residue 434
PHE
Atom C of residue 413
Atom CB of residue 529
Atom CD of residue 167
Atom CB of residue 618
Atom CB of residue 331
Atom CA of residue 192
Atom C of residue 189
Atom CB of residue 340
Atom CD1 of residue 395
CYS
Atom CG of residue 393
Atom CD of residue 592
LEU
ARG
Atom NE2 of residue 554
Atom N of residue 322
Atom NH2 of residue 59
ALA
Atom N of residue 653
Atom N of residue 52
Atom O of residue 484
Atom OG of residue 212
Atom CA of residue 24
Atom CG of residue 314
Atom OE2 of residue 269
Atom CB of residue 158
Atom N of residue 441
Atom CA of residue 196
Atom CA of residue 3
Atom C of residue 601
Atom CD1 of residue 88
Atom CZ of residue 357
Atom C of residue 101
Atom N of residue 340
Atom O of residue 417
Atom C of residue 288
GLN
ARG
Atom ND1 of residue 449
Atom CB of residue 322
Atom C of residue 75
Atom NE of residue 299
TYR
VAL
Atom CG1 of residue 380
Atom CG of residue 430
Atom C of residue 676
Atom OE1 of residue 88
Atom CD2 of residue 33
Atom N of residue 108
Atom C of residue 251
Atom CA of residue 421
Atom CB of residue 6
Atom CB of residue 386
Atom C of residue 314
Atom CA of residue 410
Atom CG1 of residue 81
Atom CG of residue 44
Atom N of residue 459
ARG
Atom CD of residue 159
Atom O of residue 279
Atom CA of residue 307
Atom N of residue 627
Atom CA of residue 137
Atom O of residue 105
THR
Atom CG2 of residue 196
Atom O of residue 204
Atom N of residue 144
Atom CD2 of residue 348
Atom C of residue 256
Atom CA of residue 426
Atom CG2 of residue 63
Atom CD2 of residue 571
Atom N of residue 121
Atom OG of residue 487
Atom C of residue 209
Atom CD1 of residue 393
Atom CG of residue 129
Atom CA of residue 269
Atom ND1 of residue 196
Atom CB of residue 3
Atom O of residue 601
Atom CG of residue 428
Atom CB of residue 434
Atom CD2 of residue 245
Atom CB of residue 188
Atom CG2 of residue 70
Atom OH of residue 84
Atom O of residue 401
ALA
ARG
Atom CA of residue 126
Atom CA of residue 276
Atom CD of residue 365
Atom O of residue 413
SER
Atom CG2 of residue 348
Atom CG of residue 331
Atom CB of residue 366
Atom N of residue 468
Atom O of residue 644
Atom O of residue 189
Atom C of residue 212
Atom CG of residue 340
Atom CA of residue 635
Atom CD1 of residue 311
Atom O of residue 521
Atom NE of residue 592
Atom CG of residue 158
Atom N of residue 405
Atom CA of residue 238
Atom N of residue 84
GLN
Atom N of residue 152
Atom CA of residue 114
Atom N of residue 83
SER
MET
Atom CA of residue 109
Atom CB of residue 410
ARG
Atom O of residue 101
Atom ND2 of residue 135
Atom CB of residue 358
Atom CG2 of residue 283
Atom CB of residue 503
Atom CA of residue 270
Atom CB of residue 307
Atom C of residue 175
HIS
Atom NE2 of residue 557
Atom CA of residue 89
THR
PRO
LYS
Atom CG of residue 529
Atom N of residue 418
Atom CE of residue 167
Atom N of residue 224
Atom N of residue 323
Atom CB of residue 229
Atom O of residue 314
Atom CA of residue 610
Atom CA of residue 16
Atom CG2 of residue 380
Atom O of residue 75
Atom C of residue 410
Atom CG1 of residue 386
Atom CA of residue 66
Atom CG of residue 476
Atom NE2 of residue 88
Atom C of residue 377
Atom CD of residue 118
Atom NH1 of residue 495
Atom CB of residue 137
Atom CG of residue 6
Atom O of residue 288
Atom O of residue 676
Atom CA of residue 98
Atom CA of residue 292
Atom CA of residue 297
Atom CB of residue 644
Atom CB of residue 269
Atom O of residue 512
GLY
Atom OD2 of residue 204
THR
Atom CD1 of residue 314
Atom CA of residue 331
Atom CA of residue 220
Atom C of residue 238
GLU
VAL
Atom O of residue 256
Atom CB of residue 426
Atom N of residue 555
Atom C of residue 176
Atom CB of residue 105
Atom C of residue 59
Atom C of residue 126
Atom CG1 of residue 196
Atom CB of residue 413
Atom CD1 of residue 44
Atom OG1 of residue 3
Atom C of residue 547
Atom C of residue 635
Atom CA of residue 87
Atom CD of residue 430
Atom C of residue 211
Atom O of residue 251
Atom CB of residue 276
Atom CB of residue 109
Atom CB of residue 279
Atom CB of residue 189
Atom CA of residue 468
Atom CA of residue 669
Atom N of residue 205
Atom N of residue 349
Atom CA of residue 405
Atom CG of residue 307
Atom N of residue 64
Atom CA of residue 152
Atom OG of residue 229
Atom CB of residue 114
Atom O of residue 209
Atom CA of residue 260
Atom CD2 of residue 449
Atom CA of residue 251
Atom CG of residue 358
Atom CB of residue 601
Atom CZ of residue 299
Atom C of residue 434
Atom CG of residue 188
Atom CA of residue 653
Atom CA of residue 115
Atom C of residue 220
Atom CA of residue 441
Atom N of residue 402
Atom O of residue 89
Atom CA of residue 538
LEU
Atom NH1 of residue 357
Atom CD of residue 96
Atom CA of residue 323
Atom CA of residue 434
Atom CG of residue 618
Atom CB of residue 521
Atom CZ of residue 592
Atom C of residue 98
Atom C of residue 610
Atom CB of residue 16
Atom N of residue 381
Atom CB of residue 314
Atom O of residue 238
Atom C of residue 88
Atom NH2 of residue 495
Atom CA of residue 102
Atom C of residue 135
PRO
Atom CB of residue 484
Atom C of residue 6
Atom C of residue 70
Atom C of residue 297
GLN
Atom CA of residue 322
Atom CG1 of residue 644
Atom CG of residue 137
Atom C of residue 669
Atom N of residue 205
Atom C of residue 283
Atom CD1 of residue 428
Atom O of residue 59
Atom N of residue 305
Atom CA of residue 246
Atom N of residue 270
Atom OE1 of residue 365
Atom CA of residue 52
Atom O of residue 175
Atom CA of residue 627
LYS
Atom N of residue 431
Atom C of residue 348
Atom CB of residue 256
Atom O of residue 211
Atom CG of residue 105
Atom C of residue 653
Atom CD of residue 331
Atom OE1 of residue 159
Atom CD1 of residue 307
Atom CA of residue 340
Atom CG of residue 269
Atom CG of residue 413
Atom OD1 of residue 340
Atom N of residue 488
Atom CD2 of residue 311
Atom O of residue 126
Atom CD1 of residue 158
GLN
Atom CG of residue 196
Atom CB of residue 288
Atom CE1 of residue 245
ASP
Atom OD1 of residue 129
Atom O of residue 406
Atom CB of residue 512
Atom N of residue 396
Atom C of residue 229
Atom CB of residue 331
Atom N of residue 558
Atom O of residue 212
Atom CA of residue 151
Atom O of residue 635
Atom C of residue 115
Atom C of residue 109
Atom CA of residue 205
Atom CG of residue 426
Atom N of residue 572
Atom CA of residue 121
Atom CA of residue 459
Atom NZ of residue 167
Atom O of residue 251
Atom CB of residue 322
Atom CB of residue 118
THR
CYS
ALA
Atom CB of residue 292
Atom O of residue 220
Atom C of residue 538
Atom N of residue 239
Atom C of residue 627
Atom CA of residue 402
Atom C of residue 434
Atom CD of residue 476
Atom CG of residue 276
Atom OG1 of residue 410
Atom O of residue 377
Atom CB of residue 89
Atom NH2 of residue 357
Atom NE of residue 96
Atom CB of residue 144
Atom CG of residue 366
Atom NH1 of residue 299
Atom CD of residue 618
Atom CD1 of residue 33
Atom CD1 of residue 137
Atom O of residue 283
Atom CG of residue 114
Atom O of residue 547
Atom CD2 of residue 314
Atom CB of residue 260
Atom CD1 of residue 196
Atom CD2 of residue 393
Atom O of residue 98
GLY
Atom CB of residue 52
Atom N of residue 496
Atom CA of residue 75
Atom CD1 of residue 358
Atom O of residue 434
Atom CA of residue 372
Atom O of residue 70
Atom CA of residue 555
Atom CB of residue 211
Atom ND1 of residue 441
Atom N of residue 60
Atom C of residue 246
Atom CD of residue 188
Atom CG of residue 503
PHE
Atom OE2 of residue 365
GLY
Atom CA of residue 418
GLU
Atom CG2 of residue 386
Atom N of residue 127
Atom CG of residue 256
Atom CG1 of residue 189
Atom CG of residue 484
Atom CD1 of residue 529
Atom CD2 of residue 44
Atom O of residue 610
Atom CA of residue 108
Atom CA of residue 381
THR
Atom O of residue 669
Atom CD of residue 413
ALA
SER
GLU
Atom N of residue 252
Atom SG of residue 601
Atom CE2 of residue 245
Atom O of residue 109
Atom CB of residue 676
Atom OD2 of residue 129
Atom O of residue 538
Atom O of residue 297
Atom N of residue 102
Atom CB of residue 196
Atom C of residue 121
PHE
Atom CG of residue 118
Atom CB of residue 151
Atom CG2 of residue 3
Atom O of residue 115
Atom N of residue 221
Atom CG of residue 322
Atom O of residue 434
Atom C of residue 167
LYS
Atom N of residue 332
Atom O of residue 176
Atom N of residue 89
Atom CD of residue 269
Atom ND2 of residue 340
Atom CD2 of residue 428
Atom C of residue 78
Atom CD2 of residue 158
Atom NH2 of residue 299
Atom N of residue 315
Atom O of residue 135
Atom CG of residue 512
Atom C of residue 459
Atom N of residue 548
Atom CZ of residue 96
Atom CB of residue 251
Atom CB of residue 98
Atom CD of residue 366
Atom CG of residue 108
VAL
Atom CG2 of residue 644
Atom N of residue 619
Atom CB of residue 24
Atom CD of residue 105
Atom CB of residue 635
Atom CA of residue 224
Atom CG1 of residue 144
Atom CG of residue 292
Atom CG of residue 279
Atom CD of residue 426
Atom N of residue 176
Atom C of residue 555
Atom CD of residue 340
Atom N of residue 197
Atom CE1 of residue 449
Atom CA of residue 349
Atom C of residue 372
Atom OE2 of residue 159
Atom CG of residue 16
Atom CG of residue 52
Atom CA of residue 239
Atom O of residue 627
Atom CG of residue 211
Atom CG of residue 441
Atom N of residue 378
SER
Atom CG of residue 288
Atom O of residue 246
Atom CD of residue 503
Atom CD1 of residue 276
Atom CB of residue 669
Atom C of residue 421
Atom O of residue 6
SER
Atom N of residue 358
Atom CA of residue 305
LEU
Atom CD1 of residue 74
Atom CD2 of residue 529
Atom C of residue 331
Atom O of residue 348
Atom C of residue 468
Atom OE1 of residue 413
Atom N of residue 284
Atom OXT of residue 212
Atom CD1 of residue 114
Atom CA of residue 488
Atom CG of residue 521
Atom NH1 of residue 592
Atom C of residue 405
Atom O of residue 653
Atom CE1 of residue 393
Atom N of residue 71
Atom CG2 of residue 410
LEU
Atom NE2 of residue 196
Atom CA of residue 205
Atom CA of residue 60
Atom NE of residue 476
Atom C of residue 118
Atom O of residue 121
PRO
Atom NE1 of residue 428
Atom CA of residue 127
Atom CG2 of residue 189
Atom O of residue 229
Atom O of residue 167
Atom C of residue 224
Atom CA of residue 332
Atom N of residue 677
Atom CB of residue 610
Atom N of residue 177
ARG
Atom CA of residue 572
Atom CB of residue 418
Atom N of residue 312
Atom CA of residue 431
Atom CD of residue 251
Atom CA of residue 159
Atom CD2 of residue 358
Atom CZ of residue 245
Atom CG of residue 260
Atom CA of residue 315
Atom C of residue 270
Atom CB of residue 538
Atom CB of residue 297
Atom N of residue 136
Atom CA of residue 396
THR
Atom O of residue 331
Atom CE of residue 188
Atom CG of residue 36
TYR
Atom CD1 of residue 108
Atom C of residue 323
Atom C of residue 151
Atom OG of residue 24
Atom CA of residue 229
Atom CD of residue 279
Atom CD of residue 16
Atom CD of residue 52
Atom C of residue 65
Atom C of residue 314
Atom CB of residue 246
Atom OD1 of residue 80
Atom CD2 of residue 307
Atom CG of residue 669
Atom O of residue 459
Atom O of residue 372
SER
Atom CD of residue 402
Atom C of residue 44
Atom OE1 of residue 503
Atom CE1 of residue 276
Atom NE1 of residue 33
ALA
Atom O of residue 421
THR
Atom CZ of residue 476
Atom N of residue 130
THR
Atom OE1 of residue 366
Atom N of residue 645
Atom C of residue 572
Atom N of residue 530
GLN
Atom NE of residue 105
PHE
Atom CB of residue 653
Atom N of residue 349
Atom C of residue 410
Atom CD1 of residue 292
Atom NE2 of residue 413
Atom C of residue 3
Atom C of residue 488
Atom CD1 of residue 521
Atom NH2 of residue 592
Atom C of residue 349
Atom CD of residue 256
Atom N of residue 122
Atom CD1 of residue 484
Atom CG of residue 418
Atom N of residue 110
Atom CB of residue 627
Atom N of residue 602
Atom CD of residue 288
Atom N of residue 435
Atom SD of residue 260
Atom CB of residue 205
GLY
ARG
Atom C of residue 152
Atom CD2 of residue 137
Atom N of residue 7
Atom C of residue 305
ALA
Atom CB of residue 115
Atom CE2 of residue 393
Atom C of residue 365
Atom CD2 of residue 74
Atom NE2 of residue 449
GLU
Atom C of residue 159
Atom CG2 of residue 610
ARG
VAL
Atom CD of residue 36
ALA
Atom N of residue 159
Atom CA of residue 558
Atom C of residue 24
PHE
Atom C of residue 205
Atom CB of residue 434
Atom N of residue 332
Atom CG of residue 98
Atom O of residue 270
Atom CD of residue 211
Atom CB of residue 441
Atom CB of residue 66
Atom CD of residue 421
Atom CD2 of residue 88
Atom NE of residue 251
Atom N of residue 280
Atom NE of residue 16
Atom CD of residue 322
Atom CB of residue 340
Atom O of residue 151
Atom CA of residue 168
GLN
Atom O of residue 224
ILE
Atom NE of residue 269
Atom CB of residue 459
Atom CD2 of residue 114
Atom O of residue 555
Atom NE2 of residue 503
Atom CE2 of residue 33
Atom CA of residue 89
Atom CA of residue 252
Atom CE1 of residue 196
Atom C of residue 358
Atom C of residue 396
Atom O of residue 3
Atom O of residue 314
Atom NZ of residue 188
LEU
Atom CD2 of residue 108
Atom CA of residue 645
Atom ND1 of residue 512
Atom SG of residue 635
Atom OG1 of residue 653
SER
Atom O of residue 468
Atom O of residue 118
Atom CA of residue 136
Atom CE2 of residue 84
CYS
Atom CA of residue 548
Atom CG of residue 77
Atom CG of residue 205
Atom CD2 of residue 521
Atom N of residue 593
Atom O of residue 405
Atom CE of residue 426
Atom CD2 of residue 484
Atom N of residue 230
GLU
Atom CA of residue 110
Atom CZ of residue 393
Atom CE1 of residue 307
Atom CB of residue 102
Atom N of residue 341
HIS
Atom O of residue 44
HIS
Atom CB of residue 387
Atom OG1 of residue 538
Atom CA of residue 177
Atom CA of residue 496
Atom CA of residue 7
Atom C of residue 299
Atom CD2 of residue 276
Atom O of residue 365
Atom OE2 of residue 366
Atom CA of residue 378
Atom C of residue 558
Atom N of residue 213
PRO
Atom NH1 of residue 96
Atom N of residue 453
Atom CE1 of residue 292
Atom O of residue 159
Atom CD1 of residue 189
Atom CG of residue 340
Atom O of residue 488
Atom C of residue 431
Atom CG2 of residue 144
Atom O of residue 349
Atom OE1 of residue 256
GLU
Atom CA of residue 176
Atom CA of residue 122
Atom CD of residue 418
Atom O of residue 24
Atom OH of residue 245
Atom CA of residue 71
Atom CD of residue 669
Atom CA of residue 284
Atom CA of residue 332
Atom CG of residue 115
Atom NE of residue 52
Atom CB of residue 555
Atom O of residue 152
Atom CE1 of residue 137
Atom N of residue 75
Atom N of residue 414
Atom CE2 of residue 428
Atom C of residue 80
Atom C of residue 332
Atom CZ of residue 269
Atom O of residue 358
ALA
Atom CG of residue 434
Atom CE1 of residue 114
Atom CA of residue 619
Atom CB of residue 372
Atom OE1 of residue 36
Atom CG1 of residue 610
Atom CB of residue 252
Atom C of residue 496
Atom C of residue 381
Atom O of residue 323
Atom N of residue 89
Atom OG of residue 246
Atom C of residue 315
Atom CE3 of residue 33
Atom CB of residue 89
Atom OE1 of residue 322
Atom CD2 of residue 196
Atom CB of residue 402
Chain B
Atom N of residue 4
Atom CA of residue 312
Atom CE of residue 260
ALA
Atom CB of residue 224
Atom CA of residue 221
Atom OE1 of residue 211
Atom CG of residue 297
Atom CD2 of residue 512
Atom N of residue 636
Atom CA of residue 349
VAL
Atom N of residue 152
Atom CA of residue 358
Atom O of residue 305
Atom CE1 of residue 521
Atom NZ of residue 426
Atom O of residue 572
PHE
Atom N of residue 168
Atom CZ of residue 105
Atom CA of residue 197
Atom CD of residue 205
Atom O of residue 410
Atom CB of residue 176
Atom CA of residue 602
Atom CA of residue 435
Atom CA of residue 677
Atom CG of residue 102
Atom CB of residue 468
Atom C of residue 340
Atom O of residue 396
Atom O of residue 299
Atom N of residue 289
Atom CB of residue 405
Atom CE2 of residue 307
Atom N of residue 109
Atom NE2 of residue 441
Atom O of residue 205
Atom CA of residue 530
SER
VAL
Atom C of residue 619
SER
Atom CA of residue 654
Atom NH2 of residue 96
Atom NH1 of residue 476
Atom CD1 of residue 98
TRP
Atom CD2 of residue 292
Atom CA of residue 160
Atom N of residue 190
Atom N of residue 119
Atom CB of residue 323
Atom CG of residue 387
GLU
Atom CA of residue 130
Atom CZ of residue 16
Atom CB of residue 136
Atom C of residue 144
Atom CB of residue 378
Atom C of residue 252
Atom CB of residue 152
Atom N of residue 45
Atom CB of residue 239
Atom CG of residue 627
Atom C of residue 177
Atom OG1 of residue 459
Atom CB of residue 305
Atom CG of residue 555
Atom O of residue 381
Atom C of residue 96
ARG
Atom CE3 of residue 428
Atom CG of residue 408
LEU
Atom CE of residue 421
Atom CD of residue 434
Atom CB of residue 488
Atom NE2 of residue 36
Atom CA of residue 257
Atom C of residue 548
Atom N of residue 315
Atom CG of residue 251
Atom OE1 of residue 79
Atom OE1 of residue 669
Atom N of residue 485
Atom C of residue 312
Atom CB of residue 270
Atom N of residue 366
Atom CD1 of residue 297
Atom CE1 of residue 512
Atom N of residue 585
Atom CB of residue 60
Atom C of residue 358
Atom C of residue 188
Atom O of residue 558
Atom CA of residue 152
Atom O of residue 431
Atom C of residue 426
Atom NH1 of residue 269
Atom CG of residue 402
Atom N of residue 359
ASP
Atom CE2 of residue 114
Atom C of residue 141
Atom OG of residue 372
Atom CG2 of residue 653
Atom C of residue 197
Atom CE2 of residue 276
Atom CZ of residue 307
Atom O of residue 496
Atom CB of residue 284
Atom C of residue 602
Atom CE of residue 418
Atom CB of residue 127
Atom N of residue 350
Atom NE2 of residue 322
Atom CA of residue 4
Atom CA of residue 341
LEU
Atom C of residue 245
Atom C of residue 260
Atom CG of residue 224
Atom C of residue 130
Atom CB of residue 71
Atom CG2 of residue 538
Atom CD2 of residue 441
Atom C of residue 645
Atom CB of residue 7
SER
Atom CB of residue 349
Atom N of residue 367
Atom CD1 of residue 64
GLN
Atom CA of residue 119
TYR
Atom CD1 of residue 115
Atom CA of residue 593
Atom CB of residue 221
Atom CZ of residue 52
Atom CE2 of residue 137
Atom CB of residue 396
Atom N of residue 25
Atom N of residue 306
Atom N of residue 411
Atom NE2 of residue 256
Atom OG1 of residue 176
Atom CZ2 of residue 33
Atom CG of residue 152
Atom CB of residue 381
LEU
Atom ND1 of residue 435
Atom C of residue 159
Atom CG of residue 239
Atom CD of residue 627
Atom CG2 of residue 459
Atom N of residue 300
Atom N of residue 247
Atom N of residue 504
Atom N of residue 611
Atom CG of residue 89
Atom O of residue 96
Atom CB of residue 205
Atom CA of residue 414
Atom C of residue 530
Atom CA of residue 230
Atom O of residue 619
Atom O of residue 358
Atom C of residue 108
Atom OG of residue 378
GLN
Atom NH1 of residue 105
Atom C of residue 36
Atom N of residue 160
Atom NH1 of residue 16
Atom CA of residue 280
LEU
Atom O of residue 315
Atom CA of residue 453
Atom O of residue 332
Atom O of residue 252
Atom O of residue 485
Atom O of residue 312
Atom CB of residue 431
Atom OH of residue 393
Atom CE of residue 205
PRO
THR
Atom O of residue 177
Atom CD2 of residue 297
PRO
Atom CG of residue 60
Atom O of residue 188
Atom N of residue 654
Atom C of residue 677
Atom O of residue 340
GLN
Atom CZ2 of residue 428
Atom N of residue 97
Atom CB of residue 558
Atom NZ of residue 421
Atom CZ of residue 276
Atom CG of residue 270
Atom CG of residue 136
Atom CA of residue 81
Atom CB of residue 230
Atom CA of residue 289
Atom O of residue 245
Atom OG1 of residue 127
Atom N of residue 539
Atom OG1 of residue 468
Atom CD2 of residue 85
Atom CA of residue 636
Atom O of residue 197
Atom O of residue 144
Atom O of residue 130
Atom CE2 of residue 292
Atom OE2 of residue 405
Atom C of residue 280
ASP
Atom CB of residue 496
Atom CA of residue 190
Atom SG of residue 323
Atom CG of residue 284
Atom CD2 of residue 115
Atom C of residue 221
Atom O of residue 426
Atom CD1 of residue 239
Atom CD of residue 555
Atom NH2 of residue 269
Atom CZ of residue 137
VAL
Atom CA of residue 213
Atom N of residue 397
Atom CZ of residue 114
Atom CA of residue 306
Atom C of residue 386
Atom CA of residue 411
Atom O of residue 407
Atom CG2 of residue 176
Atom CZ3 of residue 33
Atom OG of residue 381
Atom O of residue 602
Atom OE1 of residue 627
Atom CD1 of residue 102
Atom N of residue 460
Atom C of residue 341
SER
GLY
Atom CG of residue 71
Atom CD2 of residue 98
Atom C of residue 414
Atom O of residue 548
Atom OG of residue 349
Atom CB of residue 332
Atom OE2 of residue 211
Atom C of residue 378
Atom C of residue 196
Atom CB of residue 96
Atom O of residue 116
Atom CA of residue 45
Atom O of residue 106
Atom CA of residue 315
Atom CB of residue 312
Atom C of residue 593
SER
Atom NH2 of residue 16
Atom O of residue 108
GLN
Atom CE2 of residue 521
Atom C of residue 453
Atom CD of residue 89
Atom OE1 of residue 152
Atom NE of residue 434
Atom N of residue 373
Atom CG of residue 431
Atom C of residue 393
Atom CA of residue 366
Atom NH1 of residue 52
Atom N of residue 298
Atom NE2 of residue 512
LYS
Atom C of residue 322
Atom N of residue 341
Atom CB of residue 619
Atom CZ3 of residue 428
Atom CB of residue 358
ARG
Atom CB of residue 110
Atom OD1 of residue 224
Atom NH2 of residue 476
Atom CB of residue 315
Atom C of residue 251
Atom CA of residue 350
Atom C of residue 402
Atom CB of residue 168
Atom N of residue 257
SER
Atom OG of residue 488
MET
Atom CB of residue 130
Atom N of residue 99
Atom NZ of residue 418
Atom CB of residue 548
Atom C of residue 289
Atom N of residue 246
ARG
Atom O of residue 221
Atom OG of residue 7
Atom CG of residue 435
Atom O of residue 260
Atom N of residue 145
Atom N of residue 178
Atom CA of residue 367
Atom O of residue 645
Atom O of residue 70
Atom C of residue 122
Atom CG of residue 205
Atom OE1 of residue 555
Atom CG1 of residue 558
Atom CA of residue 585
Atom O of residue 530
Atom CA of residue 397
Atom CB of residue 315
Atom O of residue 159
Atom CH2 of residue 33
Atom CD1 of residue 60
TYR
Atom OE2 of residue 627
Atom N of residue 253
Atom OG of residue 485
Atom CA of residue 359
Atom N of residue 189
Atom CA of residue 504
Atom N of residue 477
ALA
Atom OD1 of residue 136
Atom OE2 of residue 669
Atom O of residue 414
Atom O of residue 386
Atom CB of residue 197
Atom NZ of residue 205
Atom CG of residue 332
Atom CD1 of residue 408
Atom O of residue 280
Atom CA of residue 232
Atom CE1 of residue 441
Atom C of residue 190
Atom CB of residue 421
Atom CD of residue 284
Atom CB of residue 45
Atom N of residue 107
Atom CB of residue 160
Atom CD2 of residue 102
Atom CZ of residue 521
Atom O of residue 677
Atom O of residue 453
Atom NE2 of residue 152
Atom CB of residue 602
Atom CZ of residue 434
SER
Atom O of residue 36
Atom OH of residue 307
Atom N of residue 513
Atom CB of residue 152
Atom CA of residue 460
Atom CD1 of residue 71
LEU
Atom CE1 of residue 115
Atom OD2 of residue 224
Atom O of residue 196
Atom CG of residue 96
Atom N of residue 309
Atom CA of residue 300
Atom OG1 of residue 548
Atom C of residue 636
Atom C of residue 349
GLY
Atom CG2 of residue 468
Atom CB of residue 119
Atom N of residue 324
Atom CB of residue 530
Atom CG of residue 168
Atom N of residue 489
ALA
ALA
Atom C of residue 418
Atom O of residue 393
Atom CD1 of residue 270
Atom N of residue 382
Atom CB of residue 435
Atom N of residue 261
Atom CG2 of residue 127
Atom N of residue 406
Atom N of residue 212
Atom CD1 of residue 205
Atom O of residue 341
Atom CG1 of residue 230
Atom CD2 of residue 60
Atom CZ of residue 292
Atom CB of residue 108
Atom CG2 of residue 558
Atom C of residue 585
Atom O of residue 122
PHE
Atom CB of residue 332
Atom C of residue 110
CYS
Atom O of residue 593
Atom CB of residue 159
Atom C of residue 176
Atom C of residue 269
Atom C of residue 7
Atom CG2 of residue 312
Atom CA of residue 97
Atom CB of residue 677
Atom CA of residue 140
Atom CA of residue 99
Atom CD2 of residue 239
Atom O of residue 378
Atom CB of residue 645
Atom CB of residue 70
Atom O of residue 289
MET
VAL
Atom C of residue 504
Atom CA of residue 539
Atom C of residue 350
Atom CB of residue 414
Atom CB of residue 300
Atom CA of residue 247
Atom CD of residue 431
SER
Atom C of residue 441
Atom O of residue 402
VAL
Atom SG of residue 358
Atom O of residue 322
Atom OH of residue 521
Atom CD of residue 79
Atom N of residue 427
Atom C of residue 137
Atom N of residue 670
Atom CB of residue 213
CYS
Atom CA of residue 611
Atom C of residue 307
Atom CG of residue 496
Atom N of residue 486
Atom CB of residue 341
Atom CB of residue 4
Atom CA of residue 25
Atom N of residue 387
Atom OG of residue 332
Atom C of residue 127
Atom C of residue 276
Atom CB of residue 280
ASN
Atom O of residue 190
Atom N of residue 197
Atom CG of residue 421
VAL
Atom O of residue 636
Atom N of residue 316
Atom N of residue 394
GLN
Atom CB of residue 142
Atom NH2 of residue 52
PHE
Atom CG of residue 130
ASP
Atom CB of residue 359
Atom O of residue 418
Atom C of residue 205
Atom CG1 of residue 677
Atom OE2 of residue 79
Atom CD2 of residue 270
Atom CB of residue 122
Atom CG of residue 152
GLY
Atom O of residue 110
GLN
LEU
Atom N of residue 469
Atom ND2 of residue 136
Atom C of residue 247
Atom CA of residue 373
Atom C of residue 97
Atom CB of residue 411
Atom CD of residue 366
Atom N of residue 222
Atom CG of residue 213
Atom CG of residue 619
Atom O of residue 429
Atom CD of residue 332
Atom C of residue 16
Atom CG of residue 159
Atom CD of residue 496
Atom O of residue 269
Atom C of residue 114
Atom CA of residue 67
Atom CA of residue 670
Atom CG of residue 315
Atom CA of residue 246
Atom CA of residue 189
Atom C of residue 33
PRO
GLN
Atom CG of residue 414
LEU
Atom CD of residue 77
Atom NE2 of residue 435
Atom CD2 of residue 71
Atom C of residue 611
Atom CG of residue 84
Atom CD2 of residue 205
Atom CG of residue 4
Atom OG of residue 300
Atom C of residue 332
Atom O of residue 88
Atom O of residue 585
ALA
Atom N of residue 342
Atom N of residue 225
Atom CA of residue 316
Atom O of residue 349
Atom CB of residue 593
Atom CG of residue 142
Atom CB of residue 453
Atom OG of residue 160
Atom O of residue 350
THR
Atom CA of residue 178
Atom C of residue 367
Atom O of residue 137
Atom CG of residue 530
Atom CG of residue 45
Atom CG2 of residue 548
Atom N of residue 313
Atom N of residue 37
Atom C of residue 102
Atom N of residue 403
Atom CB of residue 289
Atom O of residue 504
Atom CA of residue 477
Atom C of residue 539
Atom CG2 of residue 230
Atom CB of residue 25
Atom OE1 of residue 431
Atom CA of residue 387
Atom CE2 of residue 115
Atom O of residue 276
Atom CG2 of residue 280
Atom CG of residue 411
GLN
ASN
Atom NE of residue 284
Atom C of residue 654
Atom OH of residue 292
Atom O of residue 79
Atom CG of residue 122
Atom CZ of residue 251
Atom CE1 of residue 60
Atom CA of residue 489
Atom N of residue 522
Atom CG of residue 197
Atom O of residue 205
Atom CG of residue 411
Atom C of residue 257
Atom O of residue 307
Atom O of residue 176
Atom C of residue 89
Atom OG of residue 119
Atom CD of residue 213
Atom CG of residue 602
Atom NH1 of residue 434
Atom CB of residue 370
Atom CA of residue 261
Atom N of residue 111
Atom O of residue 16
Atom CE1 of residue 239
Atom N of residue 628
Atom O of residue 441
Atom CA of residue 469
GLU
Atom C of residue 373
Atom CB of residue 366
Atom N of residue 559
Atom CG1 of residue 359
Atom CD of residue 619
Atom CD1 of residue 315
Atom CB of residue 636
Atom O of residue 97
Atom CA of residue 394
Atom N of residue 379
Atom CB of residue 190
Atom CG of residue 116
Atom OD1 of residue 168
Atom O of residue 114
Atom CB of residue 368
Atom CG of residue 645
Atom O of residue 7
Atom C of residue 397
Atom CD of residue 4
Atom C of residue 106
Atom O of residue 332
Atom N of residue 566
GLY
Atom CA of residue 145
Atom CA of residue 222
Atom CA of residue 253
Atom NH1 of residue 66
Atom CD of residue 414
Atom CE1 of residue 71
Atom N of residue 87
Atom CA of residue 212
Atom CD1 of residue 45
Atom O of residue 247
Atom C of residue 52
Atom CD1 of residue 411
Atom C of residue 134
Atom CA of residue 342
Atom N of residue 359
SER
Atom OE1 of residue 332
Atom CA of residue 427
Atom O of residue 367
Atom NE of residue 496
Atom N of residue 270
Atom CA of residue 324
Atom C of residue 230
Atom CA of residue 313
LYS
Atom O of residue 611
Atom O of residue 102
Atom CB of residue 246
Atom CD1 of residue 130
Atom O of residue 33
Atom N of residue 323
SER
Atom CD1 of residue 152
Atom CG of residue 25
Atom CA of residue 432
Atom O of residue 127
Atom N of residue 277
Atom CG2 of residue 677
Atom CE1 of residue 270
Atom C of residue 160
Atom CB of residue 585
Atom CE1 of residue 205
Atom CA of residue 513
Atom CZ of residue 284
Atom CB of residue 429
Atom C of residue 292
Atom N of residue 308
Atom OE1 of residue 410
ASN
Atom C of residue 407
TRP
Atom N of residue 350
Atom CB of residue 145
Atom CG of residue 593
Atom CG of residue 453
GLU
Atom CB of residue 350
Atom N of residue 138
Atom CD of residue 530
Atom N of residue 419
Atom N of residue 549
Atom CD of residue 197
SER
Atom CG of residue 366
Atom CD of residue 159
Atom N of residue 177
SER
Atom OE1 of residue 213
Atom ND1 of residue 602
Atom NH2 of residue 434
Atom CD2 of residue 435
Atom C of residue 477
Atom N of residue 505
Atom CD1 of residue 411
GLU
Atom N of residue 442
Atom CD of residue 253
Atom O of residue 373
Atom C of residue 306
Atom C of residue 178
Atom N of residue 153
ARG
LEU
Atom OE1 of residue 619
Atom CG of residue 405
Atom CG1 of residue 280
GLY
Atom CE2 of residue 60
Atom N of residue 115
Atom OG of residue 370
Atom CZ of residue 115
ALA
Atom CE2 of residue 239
Atom CA of residue 197
Atom OE1 of residue 4
GLN
Atom CE of residue 247
Atom CD1 of residue 142
Atom O of residue 52
Atom C of residue 119
Atom NE of residue 414
Atom C of residue 261
Atom CZ of residue 97
Atom C of residue 212
Atom CB of residue 367
Atom O of residue 397
Atom C of residue 460
Atom OD2 of residue 168
Atom O of residue 539
Atom CD2 of residue 411
Atom NH1 of residue 251
Atom CG2 of residue 359
VAL
Atom CA of residue 111
Atom C of residue 99
Atom OE2 of residue 332
Atom CB of residue 427
Atom C of residue 324
THR
Atom N of residue 206
Atom CD1 of residue 122
Atom CG2 of residue 441
Atom O of residue 306
Atom N of residue 333
GLY
Atom N of residue 67
Atom C of residue 513
Atom CD of residue 25
Atom CE2 of residue 71
Atom CB of residue 406
Atom N of residue 8
Atom C of residue 300
Atom CB of residue 189
Atom OE1 of residue 197
Atom N of residue 17
Atom OE2 of residue 410
Atom OG of residue 636
Atom CG of residue 145
Atom O of residue 257
Atom CG of residue 190
Atom CZ of residue 496
Atom CD1 of residue 645
TYR
Atom CD2 of residue 152
PRO
Atom CA of residue 549
Atom O of residue 654
Atom CA of residue 37
Atom CB of residue 611
LEU
Atom ND1 of residue 116
Atom CD2 of residue 602
Atom NH2 of residue 105
Atom C of residue 489
Atom CA of residue 225
Atom CA of residue 628
Atom CG of residue 289
Atom N of residue 128
Atom CA of residue 566
LYS
Atom CD1 of residue 677
Atom CZ of residue 239
Chain A
Atom CA of residue 382
Atom C of residue 469
Atom NH1 of residue 284
Atom NE2 of residue 619
Atom CA of residue 505
Atom O of residue 292
Atom CB of residue 539
Atom CA of residue 308
Atom OG of residue 89
Atom CA of residue 485
ILE
Atom C of residue 370
Atom CA of residue 522
Atom CB of residue 397
Atom C of residue 4
Atom O of residue 460
Atom N of residue 53
Atom OE1 of residue 159
Atom N of residue 34
Atom O of residue 178
Atom NH2 of residue 251
Atom CZ of residue 414
Atom CG of residue 585
Atom N of residue 435
Atom O of residue 477
Atom CE2 of residue 270
Atom OG1 of residue 368
Atom O of residue 212
HIS
Atom CB of residue 253
Atom N of residue 103
Atom O of residue 513
Atom CA of residue 403
Atom CG of residue 246
Atom N of residue 412
Atom CA of residue 359
Atom CE1 of residue 435
Atom CD2 of residue 315
Atom OE2 of residue 431
Atom CB of residue 306
Atom CD of residue 111
Atom O of residue 489
Atom N of residue 116
Atom CA of residue 206
Atom OG1 of residue 350
Atom CA of residue 559
Atom N of residue 442
Atom NE2 of residue 213
Atom N of residue 248
Atom CA of residue 333
Atom CD1 of residue 453
Atom C of residue 366
Atom CD of residue 405
Atom CA of residue 379
THR
Atom O of residue 134
Atom O of residue 230
Atom OE1 of residue 25
Atom O of residue 261
Atom CD of residue 145
Atom O of residue 99
Atom O of residue 160
Atom CD2 of residue 45
Atom CG1 of residue 189
Atom C of residue 566
Atom CB of residue 654
Atom CD2 of residue 411
Atom CA of residue 77
Atom N of residue 429
Atom N of residue 258
Atom OG1 of residue 427
Atom C of residue 628
Atom C of residue 152
Atom CA of residue 419
Atom N of residue 637
Atom C of residue 316
GLU
Atom CD2 of residue 130
Atom CB of residue 37
CYS
Atom C of residue 382
Atom O of residue 119
Atom N of residue 531
Atom CE1 of residue 602
Atom O of residue 300
Atom N of residue 281
Atom CB of residue 197
Atom C of residue 670
Atom CD1 of residue 289
Atom CB of residue 373
Atom CD2 of residue 142
Atom CZ of residue 71
Atom CG of residue 367
Atom N of residue 66
SER
Atom CB of residue 403
Atom CB of residue 460
SER
Atom SD of residue 246
Atom OE2 of residue 197
TYR
Atom N of residue 90
Atom CA of residue 323
Atom CZ of residue 60
Atom CA of residue 115
Atom O of residue 370
Atom C of residue 225
Atom CB of residue 477
Atom CD of residue 190
Atom O of residue 4
Atom CB of residue 99
Atom CD of residue 593
TYR
ASP
Atom CD2 of residue 116
VAL
Atom CG of residue 306
Atom NH1 of residue 97
SER
Atom CA of residue 442
GLU
Atom CA of residue 138
Atom CD2 of residue 122
Atom C of residue 485
THR
GLY
Atom CG of residue 277
Atom CA of residue 177
Atom N of residue 411
ARG
Atom C of residue 559
Atom NH2 of residue 284
Atom C of residue 359
Atom N of residue 86
Atom N of residue 131
Atom CD2 of residue 645
Atom C of residue 168
Atom CG2 of residue 407
Atom CG2 of residue 350
ALA
Atom O of residue 670
Atom CG2 of residue 189
Atom CD2 of residue 453
Atom C of residue 522
Atom CB of residue 222
Atom CA of residue 160
VAL
Atom CB of residue 178
Atom C of residue 379
Atom CA of residue 270
Atom N of residue 252
Atom CD of residue 585
ARG
Atom C of residue 435
Atom C of residue 313
Atom CZ of residue 270
Atom C of residue 323
Atom CG of residue 253
Atom O of residue 324
Atom CB of residue 513
Atom N of residue 106
Atom SG of residue 654
Atom CE2 of residue 205
Atom C of residue 359
Atom CA of residue 429
Atom CE1 of residue 315
LYS
Atom CB of residue 134
Atom O of residue 152
Atom CB of residue 489
HIS
Atom SG of residue 477
Atom CB of residue 394
Atom CA of residue 350
Atom CG of residue 37
Atom CB of residue 65
Atom O of residue 382
Atom NH1 of residue 414
GLN
Atom O of residue 366
Atom OE1 of residue 405
Atom CG2 of residue 368
Atom N of residue 231
Atom CD2 of residue 289
Atom CG of residue 111
Atom O of residue 316
Atom C of residue 45
Atom CG1 of residue 460
Atom N of residue 432
ALA
Atom N of residue 262
Atom N of residue 198
Atom CG of residue 99
Atom N of residue 540
GLN
Atom N of residue 333
Atom CG2 of residue 427
Atom O of residue 628
Atom O of residue 469
Atom CB of residue 138
Atom C of residue 213
Atom C of residue 549
Atom N of residue 79
Atom C of residue 25
ALA
Atom OE1 of residue 593
Atom N of residue 293
Atom OE2 of residue 159
Atom CG of residue 611
Atom N of residue 120
Atom O of residue 77
Atom CA of residue 117
Atom CD of residue 419
Atom N of residue 301
Atom N of residue 161
GLY
Atom CB of residue 212
Atom N of residue 398
Atom OG of residue 373
Atom NE of residue 97
Atom O of residue 225
Atom CB of residue 177
LEU
Atom CA of residue 412
Atom OD1 of residue 367
Atom CA of residue 153
Atom CB of residue 485
Atom CB of residue 670
Atom CB of residue 8
Atom OG of residue 394
Atom CG of residue 222
Atom O of residue 379
Atom O of residue 559
Atom O of residue 168
Atom CB of residue 115
Atom CE1 of residue 411
Atom O of residue 323
Atom CB of residue 270
Atom CB of residue 324
GLY
Atom CB of residue 350
Atom NE1 of residue 453
Atom CA of residue 53
VAL
Atom CD of residue 306
Atom N of residue 271
in 24.350s ... ok
Simple test of EM2D score application ... em2d_score /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/transforms10 /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/image_1.pgm /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/image_2.pgm /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/image_3.pgm -s 2.2 -n 200 
Receptor /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb ligand /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb trans file /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/transforms10
4400 atoms were read from file /scratch/nightly-build-21548/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb
3424 atoms were read from file /scratch/nightly-build-21548/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 CA of residue 238
Atom CG of residue 277
THR
Atom CB of residue 206
TYR
PRO
Atom CB of residue 174
Atom CE2 of residue 270
Atom CD2 of residue 286
Atom O of residue 502
LEU
Atom CD2 of residue 591
Atom C of residue 425
Atom CG of residue 425
Atom OG of residue 191
Atom CB of residue 303
Atom NE of residue 469
Atom OG of residue 545
Atom CA of residue 651
Atom C of residue 119
Atom CE1 of residue 150
Atom CB of residue 642
Atom CA of residue 82
Atom CD2 of residue 41