Configuring module compatibility version SVN.r14111
Configuring module base version SVN.r14111 with Boost.FileSystem
Configuring module benchmark version SVN.r14111 with Boost.ProgramOptions
Configuring module RMF version SVN.r14111
Module cgal disabled due to missing dependency CGAL
Configuring module algebra version SVN.r14111
Configuring module kernel version SVN.r14111 with Boost.FileSystem
Configuring module display version SVN.r14111
Configuring module core version SVN.r14111
Configuring module container version SVN.r14111
Configuring module atom version SVN.r14111 with Boost.FileSystem
Configuring module statistics version SVN.r14111
Configuring module rmf version SVN.r14111
Configuring module domino version SVN.r14111 with RMF
Configuring module em version SVN.r14111
Configuring module saxs version SVN.r14111
Configuring module gsl version SVN.r14111
Configuring module modeller version SVN.r14111
Configuring module restrainer version SVN.r14111
Configuring module multifit version SVN.r14111
Configuring module em2d version SVN.r14111 with OpenCV22
Configuring module misc version SVN.r14111
Configuring module system version SVN.r14111
Configuring module isd version SVN.r14111
Configuring module example version SVN.r14111
Configuring module kmeans version SVN.r14111
Configuring module parallel version SVN.r14111
Configuring module pepdock version SVN.r14111
Configuring module scratch version SVN.r14111
Configuring application EModel2D version SVN.r14111
Configuring application foxs version SVN.r14111
Configuring application integrative_docking version SVN.r14111
Configuring application saxs_tools version SVN.r14111
Configuring application saxs_merge version SVN.r14111
Configuring application em_tools version SVN.r14111
Configuring application ligand_score version SVN.r14111
Configuring application multifit_tools version SVN.r14111
Configuring application rmf_tools version SVN.r14111
Configuring application pdb_tools version SVN.r14111
Configuring application example_app version SVN.r14111
Configuring system Groel version SVN.r14111
Configuring system rnapii version SVN.r14111
Configuring system nup84 version SVN.r14111
Configuring module example_system_local version SVN
Configuring system example_system version SVN.r14111
scons: warning: Support for pre-2.4 Python (2.3.5) is deprecated.
If this will cause hardship, contact dev@scons.tigris.org.
File "/usr/bin/scons", line 191, in ?
modules/kernel/src/Model_dependencies.cpp:30: warning: ignoring #pragma GCC diagnostic
build/include/IMP/generic.h: In member function 'IMP::ScoringFunction* IMP::Model::create_model_scoring_function()':
build/include/IMP/generic.h:29: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::RestraintSet]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::PairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::QuadScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/generic.h: In member function 'virtual IMP::ScoringFunction* IMP::RestraintSet::create_scoring_function(double, double) const':
build/include/IMP/generic.h:29: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::RestraintSet]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::SingletonScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::TripletScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
modules/kernel/src/dependency_graph.cpp:16: warning: ignoring #pragma GCC diagnostic
modules/kernel/src/dependency_graph.cpp:407: warning: ignoring #pragma GCC diagnostic
modules/kernel/src/dependency_graph.cpp:189: warning: unused parameter 'dg'
build/include/IMP/internal/InternalPairsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalPairsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalPairsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalPairsRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::PairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/InternalQuadsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalQuadsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalQuadsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalQuadsRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::QuadScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/InternalSingletonsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalSingletonsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalSingletonsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalSingletonsRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::SingletonScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/InternalTripletsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalTripletsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalTripletsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalTripletsRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::TripletScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/swig.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::_ConstRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/swig.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::_ConstRestraint]' being inlined
/usr/include/c++/4.0.0/bits/stl_algo.h: In function '_RandomAccessIterator std::find(_RandomAccessIterator, _RandomAccessIterator, const _Tp&, std::random_access_iterator_tag) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator > >, _Tp = unsigned int]':
/usr/include/c++/4.0.0/bits/stl_algo.h:315: instantiated from '_InputIterator std::find(_InputIterator, _InputIterator, const _Tp&) [with _InputIterator = __gnu_cxx::__normal_iterator > >, _Tp = unsigned int]'
modules/algebra/src/vector_search.cpp:105: instantiated from here
/usr/include/c++/4.0.0/bits/stl_algo.h:207: warning: comparison between signed and unsigned integer expressions
/usr/include/c++/4.0.0/bits/stl_algo.h:315: instantiated from '_InputIterator std::find(_InputIterator, _InputIterator, const _Tp&) [with _InputIterator = __gnu_cxx::__normal_iterator > >, _Tp = unsigned int]'
modules/algebra/src/vector_search.cpp:105: instantiated from here
/usr/include/c++/4.0.0/bits/stl_algo.h:211: warning: comparison between signed and unsigned integer expressions
/usr/include/c++/4.0.0/bits/stl_algo.h:215: warning: comparison between signed and unsigned integer expressions
/usr/include/c++/4.0.0/bits/stl_algo.h:219: warning: comparison between signed and unsigned integer expressions
/usr/include/c++/4.0.0/bits/stl_algo.h:227: warning: comparison between signed and unsigned integer expressions
/usr/include/c++/4.0.0/bits/stl_algo.h:231: warning: comparison between signed and unsigned integer expressions
/usr/include/c++/4.0.0/bits/stl_algo.h:235: warning: comparison between signed and unsigned integer expressions
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/base/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/base/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.base --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/base/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/base/test/test_objects.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/base/test/test_random.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/base_cpp_test_programs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_base_standards.py >/private/tmp/nightly-build-17099/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 ... skipped 'subprocess module unavailable'
Running C++ test basetest_pair_memoizer ... skipped 'subprocess module unavailable'
Running C++ test basetest_show ... skipped 'subprocess module unavailable'
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 1.376s
OK (skipped=3)
base module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/benchmark/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/benchmark/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.benchmark --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/benchmark/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_benchmark_standards.py >/private/tmp/nightly-build-17099/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 0.014s
OK
benchmark module unit tests succeeded
modules/atom/src/BrownianDynamics.cpp:144: warning: ignoring #pragma GCC diagnostic
build/include/IMP/atom/CHARMMStereochemistryRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::atom::CHARMMStereochemistryRestraint::create_scoring_function(double, double) const':
build/include/IMP/atom/CHARMMStereochemistryRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::atom::CHARMMStereochemistryRestraint]' being inlined
modules/atom/src/LangevinThermostatOptimizerState.cpp:30: warning: ignoring #pragma GCC diagnostic
build/include/IMP/core/../internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::HarmonicUpperBoundSphereDistancePairScore]':
build/include/IMP/core/../internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/internal/generic.h: In member function 'IMP::ScoringFunction* IMP::core::internal::ContainerRestraint::create_scoring_function(double, double) const [with Score = IMP::core::HarmonicUpperBoundSphereDistancePairScore, Container = IMP::container::ConnectingPairContainer]':
build/include/IMP/core/internal/generic.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::internal::ContainerRestraint]' being inlined
build/include/IMP/core/../internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::KClosePairsPairScore]':
build/include/IMP/core/../internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/../internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::HarmonicSphereDistancePairScore]':
build/include/IMP/core/../internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/InternalPairsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalPairsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalPairsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalPairsRestraint]' being inlined
build/include/IMP/container/MinimumPairRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::MinimumPairRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/MinimumPairRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::MinimumPairRestraint]' being inlined
build/include/IMP/container/MinimumQuadRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::MinimumQuadRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/MinimumQuadRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::MinimumQuadRestraint]' being inlined
build/include/IMP/container/MinimumSingletonRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::MinimumSingletonRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/MinimumSingletonRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::MinimumSingletonRestraint]' being inlined
build/include/IMP/container/MinimumTripletRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::MinimumTripletRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/MinimumTripletRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::MinimumTripletRestraint]' being inlined
build/include/IMP/internal/InternalPairsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalPairsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalPairsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalPairsRestraint]' being inlined
build/include/IMP/container/PredicatePairsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::PredicatePairsRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/PredicatePairsRestraint.h:89: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::PredicatePairsRestraint]' being inlined
build/include/IMP/container/PredicateQuadsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::PredicateQuadsRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/PredicateQuadsRestraint.h:89: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::PredicateQuadsRestraint]' being inlined
build/include/IMP/container/PredicateSingletonsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::PredicateSingletonsRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/PredicateSingletonsRestraint.h:89: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::PredicateSingletonsRestraint]' being inlined
build/include/IMP/container/PredicateTripletsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::container::PredicateTripletsRestraint::create_scoring_function(double, double) const':
build/include/IMP/container/PredicateTripletsRestraint.h:89: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::container::PredicateTripletsRestraint]' being inlined
build/include/IMP/internal/InternalQuadsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalQuadsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalQuadsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalQuadsRestraint]' being inlined
build/include/IMP/internal/InternalSingletonsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalSingletonsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalSingletonsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalSingletonsRestraint]' being inlined
build/include/IMP/internal/InternalTripletsRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::internal::InternalTripletsRestraint::create_scoring_function(double, double) const':
build/include/IMP/internal/InternalTripletsRestraint.h:53: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::InternalTripletsRestraint]' being inlined
build/include/IMP/core/TripletRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::TripletRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/TripletRestraint.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::TripletRestraint]' being inlined
build/include/IMP/core/ConnectivityRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::ConnectivityRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/ConnectivityRestraint.h:78: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::ConnectivityRestraint]' being inlined
build/include/IMP/core/ConstantRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::ConstantRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/ConstantRestraint.h:32: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::ConstantRestraint]' being inlined
build/include/IMP/core/DiameterRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::DiameterRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/DiameterRestraint.h:48: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::DiameterRestraint]' being inlined
build/include/IMP/core/../internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::HarmonicUpperBoundSphereDiameterPairScore]':
build/include/IMP/core/../internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/DihedralRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::DihedralRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/DihedralRestraint.h:34: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::DihedralRestraint]' being inlined
build/include/IMP/core/../internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::DistancePairScore]':
build/include/IMP/core/../internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/ExcludedVolumeRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::ExcludedVolumeRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/ExcludedVolumeRestraint.h:77: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::ExcludedVolumeRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::SoftSpherePairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::ClosePairsPairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/MSConnectivityRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::MSConnectivityRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/MSConnectivityRestraint.h:102: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::MSConnectivityRestraint]' being inlined
build/include/IMP/core/MinimumRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::MinimumRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/MinimumRestraint.h:35: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::MinimumRestraint]' being inlined
modules/core/src/NormalMover.cpp:34: warning: ignoring #pragma GCC diagnostic
build/include/IMP/core/PairRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::PairRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/PairRestraint.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::PairRestraint]' being inlined
build/include/IMP/core/QuadRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::QuadRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/QuadRestraint.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::QuadRestraint]' being inlined
build/include/IMP/core/SingletonRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::SingletonRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/SingletonRestraint.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::SingletonRestraint]' being inlined
build/include/IMP/core/TripletRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::core::TripletRestraint::create_scoring_function(double, double) const':
build/include/IMP/core/TripletRestraint.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::TripletRestraint]' being inlined
build/include/IMP/rmf/restraint_io.h: In member function 'virtual IMP::ScoringFunction* IMP::rmf::RMFRestraint::create_scoring_function(double, double) const':
build/include/IMP/rmf/restraint_io.h:37: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::rmf::RMFRestraint]' being inlined
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/librmf/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/adding_data.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/alias.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/create.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/rmf_decorator.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/rmf_xml.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/examples/fast-test.results.out) > /dev/null
Run example adding_data.py ... in 8.341s ... 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 9.690s
OK
RMF examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/librmf/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=RMF --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_aliases.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_associations.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_backwards.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_bad_geometry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_closing.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_copy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_data_types.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_description.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_errors.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_file_level.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_low_level.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_multikey.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_prmf.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/librmf/test/test_sets.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/RMF_cpp_test_programs.py >/private/tmp/nightly-build-17099/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 ... in 1.372s ... ok
Test example where fill was bad ... ok
Test closing an RMF file ... ok
Test copying an rmf file ... in 2.686s ... 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 ... skipped 'subprocess module unavailable'
----------------------------------------------------------------------
Ran 27 tests in 4.817s
OK (skipped=3)
RMF module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/algebra/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/examples/geometry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/examples/grid_space.py >/private/tmp/nightly-build-17099/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 0.113s
OK
algebra examples succeeded
/opt/local/include/boost/pending/disjoint_sets.hpp: In member function 'size_t boost::disjoint_sets::count_sets(ElementIterator, ElementIterator) [with ElementIterator = boost::range_detail::integer_iterator, RankPA = int*, ParentPA = int*, FindCompress = boost::find_with_full_path_compression]':
modules/statistics/src/internal/centrality_clustering.cpp:64: instantiated from 'bool IMP::statistics::internal::::Done::operator()(double, const B&, const IMP::statistics::internal::::Graph&) [with B = boost::detail::matrix_edge_desc_impl]'
/opt/local/include/boost/graph/bc_clustering.hpp:133: instantiated from 'void boost::betweenness_centrality_clustering(MutableGraph&, Done, EdgeCentralityMap, VertexIndexMap) [with MutableGraph = boost::adjacency_matrix >, boost::no_property, std::allocator >, Done = IMP::statistics::internal::::Done, EdgeCentralityMap = boost::adj_matrix_edge_property_map >, size_t, double, double&, boost::edge_centrality_t>, VertexIndexMap = boost::adj_matrix_vertex_id_map]'
/opt/local/include/boost/graph/bc_clustering.hpp:146: instantiated from 'void boost::betweenness_centrality_clustering(MutableGraph&, Done, EdgeCentralityMap) [with MutableGraph = boost::adjacency_matrix >, boost::no_property, std::allocator >, Done = IMP::statistics::internal::::Done, EdgeCentralityMap = boost::adj_matrix_edge_property_map >, size_t, double, double&, boost::edge_centrality_t>]'
modules/statistics/src/internal/centrality_clustering.cpp:77: instantiated from here
/opt/local/include/boost/pending/disjoint_sets.hpp:96: warning: comparison between signed and unsigned integer expressions
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/algebra/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.algebra --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_bounding_box.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_cone.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_cylinder.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_dynamic_nn.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_eigen_analysis.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_geom_alignment.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_grid.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_inverse.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_log_grid.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_matrix2d.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_matrix3d.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_nearest_neighbor.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_random_ball.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_random_chain.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_random_rotations.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_regression_fit.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_rigid_transformation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_rotation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_shortest_segment.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_sphere.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_sphere_cover.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_sphere_patch.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_spherical_coords.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_transformation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_triangle3d.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_uniform_rotation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_vector3d.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_vector4d.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_vector_on_box.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_vectorkd.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_vol.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_xyz.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/algebra/test/test_zyz.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/algebra_cpp_test_programs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_algebra_standards.py >/private/tmp/nightly-build-17099/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 3.270s ... ok
Check that dynamic nearest neighbor queries work ... ok
Testing eigen analysis ... ok
Testing eigen analysis ... ok
Testing that the eigen values are invariante to rotation ... ok
Testing rigid alignment of point sets, no translation ... ok
Testing rigid alignment of point sets ... ok
Check sparse grid of ints ... ok
Check that the the inverse of a transformation works ... ok
Test mixed log embedding ... ok
Check sparse grid of ints ... ok
Check Matrix2D access ... ok
Check Matrix2D addition ... ok
Check cross_correlation of Matrix2D with itself ... ok
Check cross_correlation matrices with different origins ... ok
Check Matrix2D division ... ok
Check Matrix2D multiplication ... ok
Check Matrix2D scalar addition ... ok
Check Matrix2D scalar division ... ok
Check Matrix2D scalar multiplication ... ok
Check Matrix2D scalar subtraction ... ok
Check proper creation and resizing ... ok
Check Matrix2D subtraction ... ok
Check writing an empty matrix ... ok
Check Matrix3D access ... ok
Check Matrix3D addition ... ok
Check cross_correlation of Matrix3D with itself ... ok
Check cross_correlation of 3D matrices with different origins ... ok
Check Matrix3D division ... ok
Check Matrix3D multiplication ... ok
Check Matrix3D scalar addition ... ok
Check Matrix3D scalar division ... ok
Check Matrix3D scalar multiplication ... ok
Check Matrix3D scalar subtraction ... ok
Check proper creation and resizing ... ok
Check Matrix3D subtraction ... ok
Check that nearest neighbor works ... ok
Check that NN queries work ... ok
Testing the creation of a points on a sphere ... ok
Testing the creation of a points on a sphere ... ok
Testing the creation of a random chain ... ok
Testing the creation of a random chain with obstacles ... ok
Test uniform random rotation ... skipped 'IMP.cgal module disabled'
Check Linear Fit ... ok
Check Parabolic Fit ... ok
Check weighted Linear Fit ... ok
Check weighted Linear Fit ... ok
Check that the delta transformation between two transformations is correct ... ok
Check that the rotation function is ok ... ok
Check rotation about axis ... ok
Check the quaternion derivatives ... ok
Check that the function get_axis_and_angle is correct ... ok
Check that rotations can be interpolated ... ok
Check that two rotations are equal ... ok
Check that the rotation inverse is an inverse ... ok
Check that the rotation between two vectors is correct ... ok
Check rotation about axis ... ok
Check degenerate shortest segments of segments ... ok
Check enclosing sphere ... ok
Verify uniform sampling within a sphere ... ok
Check that sphere are constructed correctly ... ok
Check uniform cover on a sphere ... ok
Check uniform cover when the the center is not on (0,0,0) ... ok
Check uniform cover on a patch of a sphere ... ok
Check that a patch of a sphere is constructed correctly ... ok
Check that spherical coords work ... ok
Check difference between two transformations ... ok
Check that Z coordinate stays zero after transformation ... ok
Check calculating a transformation between two reference frames ... ok
Check building a Transformation2D from point sets ... ok
Check building a Transformation3D from Transformation2D ... ok
Check that triangles constructed correctly ... ok
test conversion of euler angles ... ok
test_euler_sampling (_test_26.UniformRotationSmaplingTest) ... ok
Check Vector3D addition ... ok
Test that vectors can't be compared ... ok
Check Vector3D components ... ok
Check Vector3D difference ... ok
Check distance between two vectors ... ok
Check Vector3D from floats ... ok
Check the Vector3D generators ... ok
Check I/O of Vector3Ds ... ok
Check Vector3D length ... ok
Check Vector3D magnitude ... ok
Check that multiplying vectors by scalars works ... ok
Check Vector3D division by a scalar ... ok
Check Vector3D multiplication by a scalar ... ok
Check Vector3D scalar product ... ok
Check vector 3D show ... ok
Check Vector3D vector product ... ok
Check Vector4D addition ... ok
Check Vector4D components ... ok
Check Vector4D difference ... ok
Check Vector4D length ... ok
Check Vector4D magnitude ... ok
Check creation of a rotation from a 4D vector ... ok
Check Vector4D division by a scalar ... ok
Check Vector4D multiplication by a scalar ... ok
Check Vector4D scalar product ... ok
Testing the distribution of vectors on a box ... ok
Check VectorKD addition ... ok
Check VectorKD components ... ok
Check VectorKD difference ... ok
Check VectorKD length ... ok
Check VectorKD magnitude ... ok
Check VectorKD division by a scalar ... ok
Check VectorKD multiplication by a scalar ... ok
Check VectorKD scalar product ... ok
Check volume and surface area of random ... skipped 'IMP.cgal module disabled'
Check Euler XYZ conversions ... ok
Check Euler ZYZ conversions ... ok
Running C++ test algebratest_grid ... skipped 'subprocess module unavailable'
Running C++ test algebratest_grid_apply ... skipped 'subprocess module unavailable'
Running C++ test algebratest_grid_storage ... skipped 'subprocess module unavailable'
Running C++ test algebratest_piecewise_linear ... skipped 'subprocess module unavailable'
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.566s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 128 tests in 8.859s
OK (skipped=6)
algebra module unit tests succeeded
build/include/IMP/example/ExampleComplexRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::example::ExampleComplexRestraint::create_scoring_function(double, double) const':
build/include/IMP/example/ExampleComplexRestraint.h:49: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::example::ExampleComplexRestraint]' being inlined
build/include/IMP/example/ExampleRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::example::ExampleRestraint::create_scoring_function(double, double) const':
build/include/IMP/example/ExampleRestraint.h:42: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::example::ExampleRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::SoftSpherePairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/internal/generic.h: In member function 'IMP::ScoringFunction* IMP::core::internal::ContainerRestraint::create_scoring_function(double, double) const [with Score = IMP::core::SoftSpherePairScore, Container = IMP::container::ClosePairContainer]':
build/include/IMP/core/internal/generic.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::internal::ContainerRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::BoundingBox3DSingletonScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/internal/generic.h: In member function 'IMP::ScoringFunction* IMP::core::internal::ContainerRestraint::create_scoring_function(double, double) const [with Score = IMP::core::BoundingBox3DSingletonScore, Container = IMP::container::ListSingletonContainer]':
build/include/IMP/core/internal/generic.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::internal::ContainerRestraint]' being inlined
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::SoftSpherePairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/internal/generic.h: In member function 'IMP::ScoringFunction* IMP::core::internal::ContainerRestraint::create_scoring_function(double, double) const [with Score = IMP::core::SoftSpherePairScore, Container = IMP::container::ClosePairContainer]':
build/include/IMP/core/internal/generic.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::internal::ContainerRestraint]' being inlined
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/kernel/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/basic_optimization.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/chain.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/dependency_graph.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/dock_with_crosslinks.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/graph.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/nup84_cg.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/nup84_rb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/write_a_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/write_an_optimizer_state.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/examples/fast-test.results.out) > /dev/null
Run example basic_optimization.py ... in 10.043s ... ok
Run example chain.py ... in 1.113s ... ok
Run example dependency_graph.py ... Cannot run dot on Python 2.3 systems.
Cannot run dot on Python 2.3 systems.
in 4.571s ... ok
Run example dock_with_crosslinks.py ... ok
Run example graph.py ... Cannot run dot on Python 2.3 systems.
Cannot run dot on Python 2.3 systems.
Cannot run dot on Python 2.3 systems.
ok
Run example nup84_cg.py ... ok
Run example nup84_rb.py ... in 25.947s ... ok
Run example write_a_restraint.py ... ok
Run example write_an_optimizer_state.py ... ok
----------------------------------------------------------------------
Ran 9 tests in 42.340s
OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 0 scoring
Restraint 0
kernel examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/kernel/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_comparisons.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_config_set.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_dependency_graph.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_directories.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_exceptions.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_file.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_key.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_log.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_model.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_particle_tuples.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_refcount.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_restraint_sets.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_score_state.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_scoreing_function.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_typemaps.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/kernel_cpp_test_programs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_kernel_standards.py >/private/tmp/nightly-build-17099/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 3.176s ... 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 ... skipped 'subprocess module unavailable'
Running C++ test kerneltest_pdb ... skipped 'subprocess module unavailable'
Running C++ test kerneltest_stream_io ... skipped 'subprocess module unavailable'
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.625s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
======================================================================
FAIL: Check that scoring functions are cleaned up
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py", line 37, in test_temp_restraints
dirchk.assert_number(2)
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 725, in assert_number
"Number of objects don't match: "\
AssertionError: 3 != 2 : Number of objects don't match: 3 != 2 found ['Model 43']
----------------------------------------------------------------------
Ran 92 tests in 5.948s
FAILED (failures=1, skipped=3)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Model 27
P0
P9
P7
P0
P8
P11
P0
P9
P10
P6
P7
P8
P11
P1
dummy
P3
P0
P2
P5
P4
P0
P9
P1
Model 20
P10
P1
P2
P2
P6
P3
P5
P3
P6
P7
P2
P3
P4
P8
P5
P11
P4
P11
P9
P9
Restraint 10
P10
P4
P7
P10
P5
P6
P8
P7
P1
P8
P5
P3
P11
P2
Model 18
P5
P4
P9
Model 21
P0
P10
Restraint 10 scoring
P6
Model 28
P7
Model 19
P8
P11
P1
dummy scoring
P2
P5
P6
P1
P3
P2
P4
P3
P5
P10
P6
P9
P4
P7
P10
P8
P9
P11
P7
P8
P11
P1
P0
P0
P0
P4
P1
P1
P3
P2
P5
P6
P4
P10
dummy scoring
P9
P7
P8
P2
P3
P11
Model 22
P6
dummy
P0
P13
Model 23
P12
Model 24
P9
P1
P3
P10
P2
P7
P5
P8
P6
P4
P11
P10
scons: *** Error 1
kernel module unit tests FAILED
Running kernel module unit tests
scons: *** [modules/kernel/test/fast-test.results] Error 1
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/display/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/basic_geometry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/display_log.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/displaying_ensembles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/show_particles_as_spheres.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/examples/fast-test.results.out) > /dev/null
Run example basic_geometry.py ... ok
Run example display_log.py ... in 3.457s ... ok
Run example displaying_ensembles.py ... in 35.196s ... ok
Run example show_particles_as_spheres.py ... ok
----------------------------------------------------------------------
Ran 4 tests in 38.827s
OK
display examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/display/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.display --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_chimera.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_cmm.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_colormap.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_create_writer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_isosurface.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_log.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_mesh.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_pivy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_polygon.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_pymol.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_textwriter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/display/test/test_writers.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_display_standards.py >/private/tmp/nightly-build-17099/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 1.204s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 23 tests in 1.977s
OK (skipped=5)
display module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/core/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/XYZR_Decorator.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/XYZ_Decorator.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/connectivity_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/cover_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/excluded_volume.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/incremental_mc.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/ms_connectivity_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/optimize_balls.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/pair_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/restrain_diameter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/rigid_collisions.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/examples/symmetry.py >/private/tmp/nightly-build-17099/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 1.412s ... ok
Run example excluded_volume.py ... in 1.785s ... ok
Run example incremental_mc.py ... in 2.588s ... ok
Run example ms_connectivity_restraint.py ... ok
Run example optimize_balls.py ... in 59.384s ... ok
Run example pair_restraint.py ... ok
Run example restrain_diameter.py ... ok
Run example rigid_bodies.py ... in 7.001s ... ok
Run example rigid_collisions.py ... ok
Run example symmetry.py ... ok
----------------------------------------------------------------------
Ran 13 tests in 74.225s
OK
core examples succeeded
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::SoftSpherePairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/core/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.core --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_angle.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_blame.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_box.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_centroid.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_cg_optimizer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_children.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_close_pair_finders.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_close_pairs_ps.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_connectivity.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_cosine.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_cover.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_cover_refiner.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_destroy_rigid_body.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_diameter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_dihedral.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_display_deriv.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_distance.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_ev.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_geom_alignment.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_get_from.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_harmonic.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_hierarchy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_incremenal_mc.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_incremenal_scoring.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_linear.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_mccg.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_ms_connectivity.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_nested_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_refined_pairs_ps.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_restraints_scoring_function.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_rigid_distance.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_score_log.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_sd_optimizer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_splines.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_table.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_to_from_refined.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_transform.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_transform_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_truncated_harmonic.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_typed_pair_score.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/test_xyzr.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/core_cpp_test_programs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_core_standards.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/core/test/fast-test.results.out) > /dev/null
Check derivatives of angle restraints ... in 1.041s ... ok
Check score of angle restraints ... ok
Check AngleRestraint::show() method ... ok
Check that code to display blame runs ... ok
Test the box score ... ok
Test centroid of refined decorator ... ok
Check that we can optimize the Woods function with CG ... ok
Make sure the Children refiner works ... ok
Testing GridClosePairsFinder ... in 2.572s ... ok
Testing NearestNeighborsClosePairsFinder ... in 3.314s ... ok
Testing QuadraticClosePairsFinder ... in 2.664s ... ok
Testing RigidClosePairsFinder ... in 1.990s ... ok
Testing BoxSweepClosePairsFinder ... skipped 'no CGAL support'
Checking close pairs pair score ... ok
Checking k-close pairs pair score ... ok
Test connectivity restraint. ... ok
Test that cosine values are correct ... ok
Test cover refined ... ok
Test cover refined decorator ... ok
Testing destroy rigid body ... ok
Test that diameter restraints are reasonable ... ok
Check score of dihedral restraints ... ok
Testing execution of derivative display support ... ok
Test that distance restraints are reasonable ... ok
Test filters on excluded volume ... Cannot run dot on Python 2.3 systems.
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 5.425s ... ok
Testing incremental scoring with Monte Carlo and a nbl ... in 5.727s ... ok
Testing incremental scoring with non-bonded ... ok
Testing incremental scoring with rigid bodies ... Cannot run dot on Python 2.3 systems.
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 ... skipped 'subprocess module unavailable'
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 3.387s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 78 tests in 30.352s
OK (skipped=2)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
TupleRestraint 75
Model 69
DistancePairScore 91
DistancePairScore 93
P0
TupleRestraint 89
DistancePairScore 79
P4
UnaryFunction185
TupleRestraint 85
P1
P0
P2
DistancePairScore 86
UnaryFunction150
P6
TupleRestraint 86
P7
TupleRestraint 90
TupleRestraint 92
DistancePairScore 88
P4
P5
DistancePairScore 96
P0
TupleRestraint 77
Model 71
TupleRestraint 83
P5
P4
P3
P0
MSConnectivityRestraint 0
UnaryFunction161
TupleRestraint 91
MSConnectivityRestraint 3
P7
Model 67
UnaryFunction159
P1
UnaryFunction160
msconnectivity list
UnaryFunction205
TupleRestraint 76
P3
TupleRestraint 93
P2
P0
UnaryFunction166
TupleRestraint 80
P5
DistancePairScore 97
UnaryFunction167
UnaryFunction156
TupleRestraint 88
P6
UnaryFunction165
UnaryFunction206
P4
TupleRestraint 94
Model 82
P0
DistancePairScore 98
P0
Model 54
UnaryFunction163
UnaryFunction164
distance_rsrs
Optimizer0
P5
P7
UnaryFunction186
P0
P1
TupleRestraint 82
P4
ModelScoringFunction21
DistancePairScore 99
DistancePairScore 94
MSConnectivityRestraint 5
P3
msconnectivity list
DistancePairScore 75
TupleRestraint 78
P2
UnaryFunction208
msconnectivity list
P6
TupleRestraint 96
msconnectivity list
UnaryFunction152
DistancePairScore 77
P2
DistancePairScore 80
P1
DistancePairScore 76
P3
TupleRestraint 84
DistancePairScore 100
TupleRestraint 74
P3
DistancePairScore 85
P2
UnaryFunction209
P0
P5
P5
TupleRestraint 97
UnaryFunction187
DistancePairScore 101
Model 83
P4
Model 68
P1
UnaryFunction162
P1
distance_rsrs
TupleRestraint 87
P3
TupleRestraint 95
P2
DistancePairScore 87
Optimizer1
Model 66
P2
MSConnectivityRestraint 2
DistancePairScore 82
P2
UnaryFunction207
DistancePairScore 78
ModelScoringFunction22
TupleRestraint 81
DistancePairScore 84
UnaryFunction151
P1
UnaryFunction157
DistancePairScore 95
MSConnectivityRestraint 1
MSConnectivityRestraint 4
UnaryFunction153
Model 70
DistancePairScore 81
UnaryFunction154
msconnectivity list
DistancePairScore 92
DistancePairScore 83
P1
UnaryFunction204
msconnectivity list
UnaryFunction155
TupleRestraint 79
UnaryFunction158
P2
DistancePairScore 90
P1
DistancePairScore 89
core module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/container/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/bipartite_nonbonded_interactions.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/connectivity.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/filter_close_pairs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/nonbonded_interactions.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/examples/restrain_in_sphere.py >/private/tmp/nightly-build-17099/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 ... in 1.632s ... ok
----------------------------------------------------------------------
Ran 5 tests in 3.195s
OK
container examples succeeded
build/include/IMP/internal/TupleRestraint.h: In member function 'IMP::ScoringFunction* IMP::internal::TupleRestraint::create_scoring_function(double, double) const [with Score = IMP::core::HarmonicDistancePairScore]':
build/include/IMP/internal/TupleRestraint.h:43: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::internal::TupleRestraint]' being inlined
build/include/IMP/core/internal/generic.h: In member function 'IMP::ScoringFunction* IMP::core::internal::ContainerRestraint::create_scoring_function(double, double) const [with Score = IMP::core::HarmonicDistancePairScore, Container = IMP::container::ConsecutivePairContainer]':
build/include/IMP/core/internal/generic.h:52: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::core::internal::ContainerRestraint]' being inlined
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/container/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.container --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_all_pairs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_close_bipartite_pairs_score_state.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_close_pairs_score_state.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_connectivity_container.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_consecutive_pair_container.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_decomp.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_distribute.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_events.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_particle_pair_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_particle_pair_state.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_particle_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_particle_state.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/test_removes.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/container_cpp_test_programs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_container_standards.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/container/test/fast-test.results.out) > /dev/null
Check AllPairContainer ... in 1.742s ... 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 3.233s ... ok
Test ClosePairContainer complete list over time ... in 2.518s ... ok
Test ClosePairContainer with rigid finder ... in 18.735s ... 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 ... skipped 'subprocess module unavailable'
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 2.430s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 37 tests in 32.412s
OK (skipped=1)
container module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/atom/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/assess_dope.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/brownian_statistics.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/cg_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/charmm_forcefield.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/charmm_forcefield_verbose.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/load_protein_restrain_bonds.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/markers.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/molecular_hierarchy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/rigid_brownian_dynamics.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/score_protein_with_ligand.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/structure_from_sequence.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/examples/fast-test.results.out) > /dev/null
Run example assess_dope.py ... in 8.793s ... ok
Run example brownian_statistics.py ... ok
Run example cg_pdb.py ... in 1.739s ... ok
Run example charmm_forcefield.py ... in 18.593s ... ok
Run example charmm_forcefield_verbose.py ... in 18.046s ... ok
Run example load_protein_restrain_bonds.py ... in 1.619s ... ok
Run example markers.py ... in 1.038s ... ok
Run example molecular_hierarchy.py ... in 8.777s ... ok
Run example rigid_brownian_dynamics.py ... in 9.725s ... ok
Run example score_protein_with_ligand.py ... in 63.266s ... ok
Run example structure_from_sequence.py ... ok
----------------------------------------------------------------------
Ran 11 tests in 131.788s
OK
atom examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/atom/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.atom --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_bd_singleton_score.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_bond_decorator_particle_pair_container.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_bond_refiner.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_bonds.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_charged_decorator.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_charmm_atom.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_charmm_parameters.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_charmm_stereochemistry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_charmm_topology.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_clone.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_coulomb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_cover.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_cover_bond.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_create_protein.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_dihedrals.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_distance.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_dna_simpl.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_element.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_estimates.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_force_switch.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_fragment.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_free_model.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_get_residue.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_hierarchy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_hierarchy_conversion.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_hierarchy_navigation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_lennard_jones_decorator.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_lennard_jones_pair_score.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_md_optimizer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_md_states.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_mol2.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_pattern.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_pdb_frames.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_pdb_string.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_protein_ligand_score.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_rb_bd.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_ref_optimizer_states.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_refcount_hierarchy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_residue.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_residue_type.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_rg.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_rigid_alignment_with_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_rmsd_and_no.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_simplify.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/atom/test/test_stereo_pair_filter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_atom_standards.py >/private/tmp/nightly-build-17099/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 1.137s ... 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 7.946s ... 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 1.617s ... ok
Check cover from rigid selection ... in 6.408s ... ok
Test cover bond ... ok
Test dihedral functions ... ok
Test drms measure taking into account rigid bodies ... in 2.708s ... ok
Testing that component placement score returns the same transformation if called twice ... in 3.151s ... ok
Test drms measure ... in 2.617s ... ok
Testing the mass and volume estimates ... in 1.247s ... ok
Test simplifying DNA ... ok
Test simplifying DNA 2 ... ok
Check element assignment based on atom name ... ok
Check assigning elements and masses to pdb with one protein ... ok
Check writing to pdb unknown elements ... ok
Testing the diffusion coeff estimate ... ok
Testing the mass and volume estimates ... ok
Check ForceSwitch creation ... ok
Check derivatives of ForceSwitch ... ok
Check ForceSwitch methods ... ok
Check value of ForceSwitch ... ok
Check Fragment ... ok
Check that deleting the model doesn't make things crash ... skipped 'Only tested in debug mode'
Check getting a residue from a cg protein ... ok
Check getting a residue from an atomic protein ... ok
Check equality of AtomType types ... ok
Check hierarchy get_by_type ... ok
Check hierarchy get_internal_bonds ... ok
Test conversion from atom.hierarchy ... ok
Check reading a pdb with one protein ... ok
Check creation of LennardJones decorators ... ok
Check get/set methods of LennardJones decorators ... ok
Check show method of LennardJones decorators ... ok
Check derivatives of LennardJonesPairScore ... ok
Check LennardJonesPairScore get/set methods ... ok
Check smoothing of LennardJonesPairScore ... ok
Check score value of LennardJonesPairScore ... ok
Test get_optimizer_states() method ... ok
Test that MD generates particle velocities ... ok
Should skip particles without xyz attributes ... ok
Check that non-rigid MD translation is Newtonian ... ok
Test thermostatting by velocity rescaling ... ok
Check temperature ... ok
Check that velocity capping works ... ok
Test Berendsen thermostat ... ok
Test Langevin thermostat ... ok
Ensure that rigid removal works with a 1-particle system ... ok
Ensure that rigid rotation is removed ... ok
Ensure that rigid translation is removed ... ok
Check that written mol2s look right ... ok
Check reading a mol2 file containing small molecules ... ok
Check that a mol2-created hierarchy can be written to a PDB ... ok
Check use of Selection ... ok
Check that read_pdb behaves OK on invalid files ... ok
Check that only the first model is read ... ok
Test PDBSelectors implemented in Python ... ok
Check reading a pdb with one protein ... in 3.256s ... 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 9.411s ... ok
Check brownian dynamics with rigid bodies ... FAIL
in 4.392s ... OptimizerStates from vector accessors should survive Optimizer del. ... ok
Constructed Python states should survive optimizer deletion ... ok
Check reference counting of OptimizerStates ... ok
Check that pdbs with rigid bodies don't have circular ref counts ... ok
Check Residue get_is_*() methods ... ok
Check equality of ResidueType types ... ok
Check get residue type from one-letter code ... ok
Check radius of gyration of a ball ... ok
Check radius of gyration with two balls ... in 1.393s ... ok
Check radius of gyration ... ok
Rigid aligment with rigid bodies ... in 8.270s ... ok
Rigid aligment without rigid bodies ... in 1.394s ... ok
Testing proper results for RMSD ... ok
Testing proper results for native overlap ... in 1.118s ... ok
Testing proper results for RMSD ... in 1.180s ... ok
Test RMSD for vectors and XYZs ... ok
Test protein simplification by residues ... in 2.018s ... ok
Test protein simplification by segments ... ok
Check the StereochemistryPairFilter exclusions ... ok
Check StereochemistryPairFilter input particles ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 2.537s ... 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 "/private/tmp/nightly-build-17099/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 78.098s
FAILED (failures=1, skipped=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P121
P216
P366
P7
P31
P78
P1
P291
P122
P217
P367
P41
P79
ModelScoringFunction7
P292
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P368
P32
P80
Model 70
P116
P66
P293
P219
P369
P81
MD 2
P67
P117
P294
P54
P220
P370
P55
P118
P39
P295
ModelScoringFunction4
P221
P371
P440
P64
P441
P119
P296
P222
P49
P372
Model 68
P65
MD 1
P123
P297
P442
P223
P373
P40
P56
P124
P58
P42
P134
P298
P443
P224
P374
P135
P59
P125
P43
P165
P299
P444
P225
P375
P60
MD 3
P136
P126
P44
P166
P300
P445
Restraint 1
P226
P376
P61
P45
P137
P127
P167
P301
P446
P62
P227
OptimizerState 4
P377
P1
P46
P138
P128
P168
P63
P302
P447
P228
P378
P47
P139
P72
P169
P303
P448
P229
P379
P57
P257
P140
P73
P170
P129
P304
P449
P230
P380
ModelScoringFunction5
P130
P104
P48
P68
P171
P305
P450
P231
P381
P50
P131
P105
P69
P172
P306
P451
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P77
P382
P0
P132
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P173
P78
P307
P141
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P133
P71
P79
P174
P308
P453
P101
P234
P384
P142
P82
P80
P175
P309
P454
P102
P235
P385
P143
P83
P81
P176
P310
P455
P236
P386
P144
P54
P74
P55
P311
P456
P20
P237
P387
P103
P145
P75
P11
P64
P112
P312
P457
P238
P388
P76
P146
P113
P65
P5
P88
P313
P458
P239
P389
P147
P6
P114
P56
P89
P314
P459
P240
P58
P390
P148
P115
P90
P59
P315
P460
P241
P391
Model 65
P107
P149
P84
P60
P85
P316
P461
P242
P392
P108
P150
P61
P27
P86
P317
P462
P243
P393
P109
P151
P62
P87
P34
P318
P463
P244
P394
P110
P152
P63
P96
P319
P464
P245
P395
P111
P72
P153
P97
P320
P465
P246
P73
P396
P154
P98
P25
P435
P321
P466
P247
P397
P68
P155
P436
P91
P322
P467
P248
P69
P398
P156
P92
P437
P70
P323
P468
P249
P399
P157
P93
P438
P71
P324
P469
P250
P400
P94
P158
P439
P19
P82
P325
P470
P95
P251
P401
P159
P10
P83
Model 64
P326
P471
P252
P402
P160
P74
P327
P472
P253
P403
P161
P0
P75
P328
P473
P254
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P162
P76
P99
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P163
P100
P91
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P164
P92
P331
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P177
P84
P0
P332
P477
P408
P85
P178
ModelScoringFunction2
P333
P478
P409
P86
P179
P258
OptimizerState 0
P334
P479
P87
P410
P180
P259
P335
P480
P411
P98
P181
P260
P336
P481
P412
P13
P99
P182
Model 66
P0
P261
P337
P482
P14
P413
P100
P183
P88
P262
P338
P483
P414
P184
P89
MD 5
P263
P339
P484
P415
P90
P185
P264
P340
P485
ModelScoringFunction6
P416
P186
P53
P1
P265
P341
P486
P417
P187
P3
P266
P29
P342
P487
P418
P4
P188
P2
P267
P343
P488
P10
P419
P189
P9
P268
P5
P344
P489
P420
P6
P190
P18
P269
P345
P490
P421
P19
P191
P20
P270
P346
P491
P422
P21
P28
P192
P11
P271
P347
P492
P12
P423
P15
P193
P13
P272
P14
P348
P493
P424
P7
P194
P51
P16
P273
P349
P494
P26
P425
P8
P93
P195
P15
P52
P274
P30
P350
P495
P94
P426
P25
P196
P31
P17
P275
P95
P41
P351
P496
P427
P27
P197
P96
P32
P276
Model 69
P352
P497
P428
P28
P16
P35
P198
P66
P97
P8
P277
P353
P498
P34
P429
P36
P67
P199
P278
P18
P354
P499
P430
P35
P200
P39
OptimizerState 1
P279
P205
P355
P500
P36
P431
P201
P49
P280
P206
P37
P356
MD 4
P432
P202
P40
P38
P281
P207
P357
P433
P42
P203
P22
P4
P0
P282
P208
P23
P9
P358
P434
P43
P204
P33
P283
P209
P359
OptimizerState 2
P44
P24
P23
P37
P284
P210
P360
P45
P26
P2
P33
P0
P38
P285
P3
P46
P211
P361
P24
P51
P17
P0
Model 67
P47
P286
P212
OptimizerState 3
P362
P52
P287
P12
P57
P213
P363
P53
P21
Restraint 0
P288
P214
P364
P22
P48
P29
ModelScoringFunction3
P50
P289
MD 0
P120
P215
P365
P30
P77
ModelScoringFunction1
MD 6
P290
scons: *** Error 1
atom module unit tests FAILED
Running atom module unit tests
scons: *** [modules/atom/test/fast-test.results] Error 1
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/statistics/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/examples/kmeans.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/examples/write_a_metric.py >/private/tmp/nightly-build-17099/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 0.920s
OK
statistics examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/statistics/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.statistics --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_bin_cluster.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_centrality_cluster.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_connectivity_clustering.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_diameter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_histogram.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_histogram_d.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_recursive.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_show_histogram.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/test_simple_kmeans.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_statistics_standards.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/statistics/test/fast-test.results.out) > /dev/null
Test bin clustering ... in 3.320s ... ok
Check that the centrality clustering works on trivial sets ... in 7.101s ... 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 ... skipped 'no numpy module present'
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 14.061s
OK (skipped=4)
statistics module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/rmf/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/geometry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/multiresolution.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/simulation.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/examples/fast-test.results.out) > /dev/null
Run example geometry.py ... in 2.513s ... ok
Run example multiresolution.py ... in 18.272s ... ok
Run example pdb.py ... ok
Run example simulation.py ... in 66.928s ... ok
----------------------------------------------------------------------
Ran 4 tests in 88.009s
OK
rmf examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/rmf/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.rmf --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_geometry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_hierarchy.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_model_dependencies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_multiframe.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_restraints.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies_external.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_round_trip.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/rmf/test/test_static_geometry.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_rmf_standards.py >/private/tmp/nightly-build-17099/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 3.942s
OK (skipped=1)
rmf module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/domino/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/custom_filter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/domino_approach.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/interactive.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/interactive_with_containers.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/merge_tree.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/multiscale.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/restraint_cache.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/rigid_body_excluded_volume.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/save_assignments.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/six_particles_optimization.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/examples/test_examples.py >/private/tmp/nightly-build-17099/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 ... Cannot run dot on Python 2.3 systems.
ok
Run example interactive_with_containers.py ... Cannot run dot on Python 2.3 systems.
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 2.081s ... ok
Run example save_assignments.py ... ok
----------------------------------------------------------------------
Ran 10 tests in 3.983s
OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
MF0 0
domino examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/domino/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.domino --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_bandb_sampler.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_cache.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_caching_sampling.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_cluster.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_containers.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_default_subset_states.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_default_subset_states_with_filtering.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_filters.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_find_pairs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_interaction_graph.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_ints_list.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_junction_tree.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_merge_tree.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_nested_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_nested_states.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_order.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_permutation_state.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_restraint_cache.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_sampling.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_static_container.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_stray_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/domino/test/test_write_merge_tree.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_domino_standards.py >/private/tmp/nightly-build-17099/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 12.013s ... 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 1.491s ... ok
Test recursive subset states ... in 1.408s ... ok
Test simple subset states ... in 1.417s ... ok
Test filtering with simple and minimal ... in 5.713s ... ok
Test filtering with recursive ... in 7.527s ... ok
Test filtering with simple ... in 7.536s ... ok
Test exclusion filtering pairs ... ok
Test exclusion filtering all ... ok
Test equivalence filtering ... ok
Test minimum filtering ... ok
Test close pairs list generation ... ok
Test that simple interaction graphs are fine ... Cannot run dot on Python 2.3 systems.
ok
Test that more involved graphs are fine ... Cannot run dot on Python 2.3 systems.
in 14.690s ... 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 6.090s ... 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 ... Cannot run dot on Python 2.3 systems.
Cannot run dot on Python 2.3 systems.
ok
Testing splitting restraints with rigid bodies and interestings scores ... ok
Test sampling ... ok
Test sampling with edge scores ... ok
Test handling of unattached particles ... ok
Testing writing and reading a merge tree ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.512s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 50 tests in 64.947s
OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 0 scoring
Restraint 1
Restraint 2 scoring
Restraint 2 scoring
Restraint 1 scoring
Restraint 1 scoring
Restraint 0 scoring
Restraint 2
Restraint 0
domino module unit tests succeeded
build/include/IMP/em/FitRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::em::FitRestraint::create_scoring_function(double, double) const':
build/include/IMP/em/FitRestraint.h:68: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::em::FitRestraint]' being inlined
build/include/IMP/em/EnvelopePenetrationRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::em::EnvelopePenetrationRestraint::create_scoring_function(double, double) const':
build/include/IMP/em/EnvelopePenetrationRestraint.h:45: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::em::EnvelopePenetrationRestraint]' being inlined
build/include/IMP/em/DensityFillingRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::em::DensityFillingRestraint::create_scoring_function(double, double) const':
build/include/IMP/em/DensityFillingRestraint.h:44: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::em::DensityFillingRestraint]' being inlined
/private/tmp/nightly-build-17099/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:587: Warning(314): 'from' is a python keyword, renaming to '_from'
/private/tmp/nightly-build-17099/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:587: Warning(314): 'from' is a python keyword, renaming to '_from'
/private/tmp/nightly-build-17099/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:675: Warning(314): 'in' is a python keyword, renaming to '_in'
/private/tmp/nightly-build-17099/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:675: Warning(314): 'in' is a python keyword, renaming to '_in'
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/em/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/analyze_convergence.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/cube.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/fit_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/generate_density_map_of_fixed_dimension.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/local_fitting.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/pdb2density.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/examples/fast-test.results.out) > /dev/null
Run example analyze_convergence.py ... in 10.939s ... ok
Run example cube.py ... ok
Run example fit_restraint.py ... in 134.252s ... ok
Run example generate_density_map_of_fixed_dimension.py ... in 8.794s ... ok
Run example local_fitting.py ... in 481.289s ... ok
Run example pdb2density.py ... in 77.850s ... ok
----------------------------------------------------------------------
Ran 6 tests in 713.131s
OK
em examples succeeded
build/include/IMP/modeller/MultipleBinormalRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::modeller::MultipleBinormalRestraint::create_scoring_function(double, double) const':
build/include/IMP/modeller/MultipleBinormalRestraint.h:48: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::modeller::MultipleBinormalRestraint]' being inlined
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/em/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_add_map2map/test_add_map2map.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_calc_cc/test_calc_cc.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_calc_cc/test_correlation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_correlation_decomposition.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_coverters.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_crop.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_density2particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_densityMapVolumetrics.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_derivs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_em_fit.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_envelope_penetration_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_fitting_grid_search_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_fitting_of_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_get_density.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_kernel_parameters.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_local_fitting.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_map_header.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_module.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_origin_spacing.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_pad_margin.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_protein_fit_at_different_resolutions.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_read_write_maps/test_read_write_map.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_refcount.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_resample.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_resample_by_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_rigid_cc_score_by_grid_rotation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_rigid_fitting_by_grid_rotation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_sample_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_sample_particles/test_sample_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_spacing.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_surface/test_geo_score.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_surface/test_pad.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_surface_sample_particles.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_surface_sample_protein.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_transform.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/test_volumes_and_images.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_em_standards.py >/private/tmp/nightly-build-17099/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 64.693s ... ok
test that the create map is reasonable ... ok
test that the correlation at intervals functionality works ... in 121.003s ... ok
test that two maps that sample the same particles have cc score of 1 ... in 26.248s ... ok
test that padding option does not affect the CC score ... in 17.904s ... ok
test that translating either the map or the particles does not change the cc score ... in 26.293s ... ok
test that the simple fast ccc function works ... in 17.595s ... ok
Test that correlation and decomposed correlation return the same score ... in 5.986s ... ok
Test that the full and decomposed fit restraint return the same score ... in 16.016s ... ok
Test that the normalization factor is a constant ... in 27.770s ... 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 4.135s ... ok
test_get_molecular_mass_at_threshold (_test_8.DensityMapVolumetricsTest) ... ok
Test calculated derivatives for a distorted model's map ... in 3.650s ... ok
Test if the derivatives can pull the particles back into the density ... in 3.076s ... ok
Testing FitRestraint derivative magnitudes ... in 68.475s ... 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 66.346s ... ok
test_penetration (_test_11.EnvelopePenetrationRestraintTest) ... in 66.396s ... ok
Check that the local rigid fitting grid search works ... in 38.765s ... ok
Test that multiple rigid bodies are correctly pulled into the density ... in 44.127s ... ok
Check get_density ... in 23.525s ... 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 107.516s ... ok
Check memory management of DensityHeader ... in 13.792s ... ok
test_header_values (_test_17.HeaderTest) ... in 13.597s ... ok
test em format read/write ... in 13.954s ... ok
test mrc format read/write ... in 13.905s ... 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 170.433s ... ok
test correct I/O of EM header ... ok
Check refcounting of IMP.em.DensityMap objects read from files ... in 14.513s ... ok
Check resampling of maps ... in 127.664s ... ok
test resampling with and without rigid bodies ... in 267.196s ... ok
test_compute_fitting_scores (_test_26.RigidBodyCorrelationByGridRotation) ... in 131.769s ... ok
Check that CC score does not change after grid and protein rotation ... in 2.568s ... ok
Check that CC score does not change after grid and protein rotation ... in 2.805s ... ok
Check that sampling particles works ... in 7.011s ... ok
test that the sampling works ... ok
Check that the correct spacing gets the highest CC ... in 7.448s ... ok
Check bad geometric complementarity score ... in 3.941s ... ok
Check good geometric complementarity score ... in 3.798s ... ok
Test map padding ... in 41.926s ... ok
Check that surface sampling works ... ok
Check that protein surface sampling works ... in 1.342s ... ok
Check transforming a density map ... in 46.680s ... ok
Check functionality of the get_transformed_into function ... ok
Check volume reading and writing ... in 2.599s ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.075s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 67 tests in 1641.456s
OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CA of residue 562
ILE
Atom CA of residue 43
Atom CB of residue 457
THR
PRO
Atom CA of residue 549
Atom CA of residue 62
ALA
Atom CA of residue 115
ALA
Atom CD of residue 52
Atom CA of residue 151
Atom CA of residue 504
Envelope penetration restraint
Atom N of residue 487
Atom CD2 of residue 536
Atom CB of residue 579
Atom CA of residue 20
Atom CG of residue 473
GLY
Atom CB of residue 107
Atom CA of residue 2691
Atom CA of residue 2653
Atom CA of residue 192
ARG
LEU
ILE
LYS
Atom N of residue 105
Atom CA of residue 39
LEU
ARG
Atom CA of residue 70
Atom CE2 of residue 53
Atom CA of residue 93
Atom CA of residue 8
Atom N of residue 156
Atom CG1 of residue 457
LYS
Atom CA of residue 134
Atom CB of residue 35
Atom CA of residue 19
Atom CB of residue 62
Atom CA of residue 370
Atom N of residue 53
Atom CA of residue 68
ASP
Atom CA of residue 432
Atom CA of residue 296
Atom CA of residue 92
THR
LEU
GLN
Atom CG1 of residue 107
Atom CD2 of residue 580
ALA
Atom CA of residue 507
Atom CA of residue 51
PRO
Atom N of residue 55
Atom CA of residue 18
Atom CB of residue 532
PRO
Atom C of residue 133
CYS
Atom N of residue 82
Atom CA of residue 136
Atom CA of residue 124
TYR
Atom CA of residue 136
ALA
PRO
Atom C of residue 25
ARG
Atom CA of residue 51
Atom CE3 of residue 53
Atom C of residue 151
Atom N of residue 22
CYS
Atom OG of residue 579
Atom CG of residue 35
ARG
Atom CA of residue 11
Atom CA of residue 2663
1z5s_A.pdb
Atom CA of residue 562
Atom N of residue 36
VAL
ASP
LYS
mol_2
SER
GLY
Atom CA of residue 24
Atom CD of residue 42
Atom CA of residue 126
Atom CA of residue 475
Atom CA of residue 461
Atom CA of residue 459
Atom CA of residue 61
Atom CA of residue 141
GLY
VAL
Atom CG1 of residue 532
Atom N of residue 125
THR
GLU
TYR
P0
Atom CB of residue 95
PHE
ALA
Atom O of residue 133
Atom CA of residue 44
Atom CA of residue 2689
ALA
Atom CA of residue 109
ILE
GLY
Atom O of residue 25
ASP
Atom CG of residue 18
Atom CA of residue 34
LEU
Atom CB of residue 561
GLY
TYR
Atom C of residue 135
SER
GLY
Atom CA of residue 501
Atom CE1 of residue 502
Atom C of residue 25
Atom CA of residue 31
Atom N of residue 581
ASP
PRO
LEU
SER
Atom CB of residue 443
ASP
Atom CA of residue 2657
GLY
MET
Atom N of residue 51
Atom CD1 of residue 97
Atom CA of residue 18
Atom CA of residue 567
Atom CA of residue 71
Atom CB of residue 109
CYS
Atom O of residue 151
Atom CG of residue 95
Atom CA of residue 156
Atom CD of residue 565
Atom CA of residue 88
Atom N of residue 580
Atom CA of residue 577
Atom CA of residue 135
Atom CA of residue 124
Atom N of residue 562
GLN
GLN
Atom CA of residue 147
Atom CA of residue 69
Atom O of residue 135
Atom CA of residue 44
GLN
Atom CA of residue 103
Atom O of residue 25
LYS
THR
Atom CA of residue 521
ARG
Atom CA of residue 531
GLN
Atom CE1 of residue 536
ASP
GLN
Atom CG of residue 443
ARG
Atom CA of residue 65
Atom CA of residue 295
Atom CA of residue 6
ALA
ASP
Atom CD2 of residue 97
Atom CA of residue 137
Atom CD1 of residue 473
ASP
Atom CA of residue 564
Atom OG of residue 109
Atom CA of residue 2644
Atom CA of residue 237
Atom CA of residue 246
Atom CA of residue 563
Atom CA of residue 33
Atom CE of residue 565
Atom CA of residue 550
Atom CA of residue 63
Atom CA of residue 12
ARG
Atom CA of residue 116
PHE
Atom CA of residue 36
Atom OE1 of residue 42
LEU
Atom CA of residue 505
Atom C of residue 507
Atom CA of residue 13
ARG
PHE
Atom CA of residue 476
Atom CA of residue 462
TRP
Atom NH1 of residue 149
Atom CG2 of residue 457
Atom CA of residue 2692
Atom CA of residue 460
Atom C of residue 569
Atom CA of residue 2654
Atom C of residue 124
Atom CA of residue 193
Atom CA of residue 12
Atom CA of residue 3
SER
Atom CA of residue 142
LEU
Atom CB of residue 151
LEU
Atom C of residue 156
Atom CA of residue 40
Fit restraint scratch map
Atom CA of residue 45
TYR
LEU
TYR
LEU
Atom CD2 of residue 473
LEU
ARG
Atom CZ2 of residue 53
Atom CA of residue 94
Atom CG2 of residue 107
ALA
Atom CA of residue 2
Atom CA of residue 371
Atom C of residue 126
SER
Atom CA of residue 581
Atom O of residue 507
Atom CA of residue 297
Atom CA of residue 93
ALA
PHE
Atom CD1 of residue 457
Atom C of residue 109
Atom O of residue 124
Atom CA of residue 52
GLU
ASN
Atom CE2 of residue 502
Atom CD of residue 35
Atom CA of residue 4
PRO
Atom CA of residue 580
ARG
Atom CA of residue 136
normalize rigid bodies
ASN
LEU
GLU
Atom C of residue 36
ARG
Atom CZ3 of residue 53
Atom CD1 of residue 107
Atom CB of residue 133
ALA
Atom CB of residue 25
Atom CG2 of residue 532
Atom CA of residue 125
ALA
Atom CA of residue 2664
Atom CA of residue 563
LEU
Atom O of residue 126
VAL
ASP
Atom CA of residue 105
VAL
Atom CA of residue 487
GLN
ASP
VAL
Atom CA of residue 55
Atom CA of residue 66
ARG
Atom CA of residue 25
Atom CG of residue 151
Atom O of residue 156
ILE
Atom CA of residue 82
Atom O of residue 109
Atom CA of residue 138
Atom CA of residue 62
Atom CZ of residue 502
THR
Atom OE1 of residue 35
GLN
ASP
Atom OE2 of residue 42
VAL
Atom CA of residue 34
VAL
Atom CA of residue 2690
Atom CA of residue 22
Atom CE2 of residue 536
Atom CA of residue 66
TYR
Atom CA of residue 35
ARG
Atom CA of residue 13
ILE
Atom N of residue 134
Atom C of residue 581
SER
ALA
Atom CA of residue 502
Atom CG1 of residue 25
Atom C of residue 13
Atom CD1 of residue 532
Atom CA of residue 477
Atom CA of residue 463
Atom CA of residue 53
Atom OD1 of residue 95
Atom CA of residue 32
Atom CB of residue 135
GLY
Atom CA of residue 461
PRO
HIS
Atom CA of residue 143
PHE
Atom CA of residue 2658
Atom CB of residue 25
Atom CA of residue 46
Atom C of residue 580
CYS
ASP
Atom CA of residue 568
Atom CA of residue 34
Atom O of residue 36
LEU
Atom N of residue 98
Atom CZ of residue 536
Atom CA of residue 89
Atom CD of residue 443
Atom CA of residue 578
Atom CA of residue 125
Atom CA of residue 148
PRO
Atom CA of residue 45
Atom NZ of residue 565
GLU
Atom CA of residue 14
Atom CA of residue 104
Atom N of residue 110
Atom CA of residue 13
Atom CD of residue 151
Atom ND2 of residue 95
Atom CB of residue 156
Atom OG1 of residue 135
Atom CA of residue 522
LYS
Atom CA of residue 9
Atom CA of residue 296
Atom CA of residue 52
Atom CG1 of residue 25
Atom CA of residue 130
Atom CA of residue 565
ARG
Atom CA of residue 2645
Atom CA of residue 238
Atom CA of residue 247
Atom CA of residue 564
Atom CA of residue 50
Atom O of residue 581
GLU
Atom N of residue 444
Atom CE1 of residue 473
Atom CA of residue 551
Atom CA of residue 64
PRO
Atom CA of residue 117
VAL
SER
THR
GLU
Atom CA of residue 506
UpdateRigidBodyMembers12
THR
Atom CA of residue 51
Atom CA of residue 567
GLU
ASP
PRO
Atom CA of residue 2693
Atom CB of residue 507
Atom CA of residue 2655
Atom O of residue 580
Atom CA of residue 194
Atom CA of residue 139
LEU
Atom OD2 of residue 6
Atom CA of residue 54
TYR
TYR
Atom CB of residue 36
Atom N of residue 458
LEU
Atom CB of residue 124
Atom CA of residue 8
Atom CA of residue 68
Atom C of residue 125
Atom CA of residue 562
Atom CA of residue 14
GLY
Atom CA of residue 95
Atom C of residue 105
Atom CA of residue 22
Atom C of residue 487
AccumulateRigidBodyDerivatives12
PHE
mol_0
CYS
Atom C of residue 55
Atom CA of residue 372
Atom CH2 of residue 53
Atom O of residue 64
Atom CA of residue 478
Atom CA of residue 464
Atom OE1 of residue 151
Atom CA of residue 13
Atom N of residue 157
Atom N of residue 108
SER
Atom CA of residue 462
Atom C of residue 82
Atom CA of residue 298
Atom CA of residue 94
Atom CA of residue 144
PHE
Atom N of residue 43
Atom CA of residue 47
Atom C of residue 22
Atom CG of residue 507
Atom CA of residue 53
GLN
GLN
SER
Atom N of residue 503
Atom CA of residue 35
Atom CB of residue 581
ALA
Atom CA of residue 43
Atom CB of residue 109
Atom CG of residue 124
SER
HIS
ILE
Atom OE2 of residue 35
Atom O of residue 125
VAL
Atom C of residue 53
Atom O of residue 105
Atom O of residue 487
ILE
Chain A
Atom N of residue 10
Atom O of residue 55
GLU
Atom CA of residue 2665
ARG
Atom CA of residue 564
ARG
Atom N of residue 54
ARG
THR
ILE
Atom O of residue 82
LYS
Atom CB of residue 580
Atom N of residue 533
GLY
Atom CG of residue 36
TYR
Atom O of residue 22
Atom N of residue 566
Atom CA of residue 5
Atom CA of residue 131
Atom CG2 of residue 25
Atom CA of residue 63
ASN
LYS
GLY
LYS
LYS
THR
Chain A
THR
GLY
Atom CA of residue 2691
Atom OH of residue 536
Atom OG of residue 109
PHE
Atom CD1 of residue 62
PHE
GLN
Atom CB of residue 64
SER
SER
Atom O of residue 53
Atom NE2 of residue 151
PRO
SER
ASP
Atom CA of residue 503
TYR
Atom CA of residue 26
Atom CA of residue 33
SER
PRO
THR
Atom CA of residue 140
Atom CE2 of residue 473
VAL
GLY
ALA
Atom CA of residue 2659
CYS
Atom N of residue 96
Atom CG of residue 581
Atom CB of residue 148
PRO
Atom CA of residue 569
Atom N of residue 26
Atom CA of residue 15
SER
PHE
Atom C of residue 51
Atom N of residue 537
Atom CA of residue 90
Atom CA of residue 579
Atom CA of residue 126
Atom CG2 of residue 25
Atom CA of residue 149
Atom CA of residue 479
Atom CA of residue 465
Atom CA of residue 157
LYS
Atom CA of residue 463
Atom CA of residue 46
Atom CG of residue 580
GLN
LEU
GLU
Atom CA of residue 145
Atom CA of residue 105
Atom CA of residue 26
Atom CD of residue 36
Atom CA of residue 523
THR
ASN
ALA
Atom CZ of residue 473
Atom CA of residue 36
Atom CA of residue 297
Atom C of residue 562
Atom CA of residue 53
Atom CA of residue 110
LYS
THR
Atom CA of residue 98
CYS
MET
Atom CA of residue 566
Atom CA of residue 45
Atom CA of residue 2662
Atom CA of residue 248
Atom CG of residue 77
Atom CG of residue 64
Atom CA of residue 565
Atom CA of residue 51
Atom CA of residue 134
Atom O of residue 51
Atom CA of residue 552
Atom CA of residue 65
ASP
Atom CA of residue 118
THR
Atom N of residue 26
ALA
Atom CA of residue 507
Atom N of residue 36
Atom CD1 of residue 581
Atom CB of residue 573
mol_0 rigid body rigid body positions
Atom CA of residue 2656
Atom CA of residue 195
Atom CA of residue 132
GLN
Atom CA of residue 55
ARG
Atom O of residue 562
ALA
Atom CA of residue 30
ASP
SER
ALA
ASN
Atom CA of residue 96
VAL
ASP
Atom N of residue 152
Atom C of residue 157
Atom CA of residue 23
THR
Atom CD1 of residue 507
ASN
Atom CD1 of residue 580
ALA
GLU
Atom CB of residue 125
Atom OE1 of residue 36
Atom CA of residue 373
Atom CB of residue 105
ALA
GLU
Atom CB of residue 487
Atom OD1 of residue 124
Atom CA of residue 95
Atom N of residue 56
GLN
PRO
SER
CYS
GLU
Atom CA of residue 458
Atom CB of residue 82
Atom CA of residue 54
ALA
Atom N of residue 7
Atom CA of residue 16
Atom N of residue 23
Atom SD of residue 64
Atom N of residue 23
Atom CA of residue 44
GLY
SER
GLN
ARG
Atom CA of residue 480
Atom CA of residue 466
Atom CA of residue 108
Atom CA of residue 464
Atom CD2 of residue 507
PRO
ASP
Atom CA of residue 575
Atom CA of residue 9
Atom CA of residue 444
PRO
Atom CA of residue 146
Atom O of residue 576
Atom N of residue 570
Atom CG of residue 125
PRO
Atom CA of residue 2666
Chain A
Atom CA of residue 565
LEU
LEU
Atom CB of residue 53
Atom CA of residue 15
Atom CG of residue 105
Atom CD2 of residue 581
ALA
Atom CG of residue 487
Atom N of residue 110
Atom ND2 of residue 124
GLU
GLY
PHE
SER
LYS
Atom N of residue 83
Atom CA of residue 64
PRO
VAL
ASP
GLY
ALA
LYS
Atom O of residue 157
ASN
Atom CA of residue 26
Atom CA of residue 2692
VAL
Atom CD2 of residue 580
ALA
PRO
LEU
GLU
Atom NE2 of residue 36
PHE
GLY
Atom CA of residue 323
Atom CA of residue 504
Atom CA of residue 74
LYS
Atom CA of residue 503
Atom CA of residue 533
Atom C of residue 110
Atom CG of residue 53
Atom CA of residue 34
Atom C of residue 98
THR
ASP
Atom CA of residue 566
ALA
Atom CA of residue 133
Atom N of residue 474
VAL
Atom CA of residue 20
TRP
Atom CA of residue 2660
Atom CE of residue 64
Atom C of residue 134
Atom CA of residue 31
Atom CA of residue 570
ALA
LYS
UpdateRigidBodyMembers16
ILE
PHE
PRO
Atom CA of residue 152
GLY
SER
Atom CA of residue 91
Atom CA of residue 580
Atom CA of residue 127
Atom OE2 of residue 9
Atom CA of residue 43
Atom CA of residue 150
Atom N of residue 582
Atom CB of residue 51
Atom CA of residue 47
THR
Atom CA of residue 106
Atom O of residue 110
ALA
GLU
Atom CA of residue 96
LEU
Atom CA of residue 41
Atom O of residue 98
LYS
LEU
Atom CA of residue 298
Atom CA of residue 17
AccumulateRigidBodyDerivatives16
Atom CB of residue 157
Atom O of residue 134
ALA
Atom N of residue 581
Atom CA of residue 567
GLN
Atom CA of residue 46
Atom CB of residue 562
Atom CA of residue 249
Atom O of residue 3
Atom O of residue 62
Atom CA of residue 481
Atom CA of residue 467
Atom CA of residue 566
Atom CA of residue 465
GLN
LYS
Atom CA of residue 553
Atom CA of residue 66
TYR
Atom CA of residue 119
LYS
Atom CA of residue 508
Atom C of residue 458
Atom CG of residue 51
ALA
GLN
Atom N of residue 65
Atom CA of residue 19
ASN
Atom CA of residue 2657
Atom CA of residue 196
LYS
MET
Atom CA of residue 56
PHE
Atom CA of residue 27
Atom C of residue 152
python stream rigid body
Atom C of residue 108
VAL
GLY
Atom C of residue 444
Atom CA of residue 26
Atom CG of residue 562
Atom CA of residue 2647
Atom CA of residue 236
Atom N of residue 37
Atom CA of residue 97
Atom CA of residue 24
GLN
Atom CB of residue 577
Atom CA of residue 324
SER
Atom CA of residue 56
Atom CA of residue 36
Atom CA of residue 374
Atom CA of residue 54
ILE
Atom O of residue 458
Atom CE1 of residue 507
Atom CA of residue 96
Atom CA of residue 75
Atom CA of residue 134
Atom CA of residue 21
ARG
TYR
Atom CG of residue 157
Atom CA of residue 32
Atom CA of residue 23
Atom N of residue 125
Atom CA of residue 55
LEU
LEU
Atom CA of residue 147
Atom CD of residue 125
LYS
GLU
Atom CD of residue 105
Atom O of residue 108
Atom CD of residue 487
ASP
Atom CA of residue 45
THR
Atom O of residue 444
LEU
ASP
Atom C of residue 503
Atom C of residue 533
GLN
mol2
ALA
Atom C of residue 41
Atom CA of residue 582
GLY
GLU
Atom C of residue 566
DensityMap53
Atom CA of residue 9
GLU
Atom CA of residue 2667
Atom CA of residue 566
Atom CA of residue 26
ARG
THR
TRP
Atom OE2 of residue 571
Atom CA of residue 537
Atom CA of residue 18
Atom O of residue 152
Atom CA of residue 110
ILE
Atom CA of residue 581
Atom CA of residue 65
ASN
ALA
Atom NE of residue 125
GLY
SER
Atom CA of residue 482
Atom CA of residue 468
Atom CD1 of residue 53
PRO
Atom N of residue 106
Atom CA of residue 27
Atom CA of residue 2693
Atom NE of residue 487
Atom CA of residue 466
GLU
Atom CA of residue 10
LYS
Atom CB of residue 12
Atom O of residue 503
Atom O of residue 533
PHE
LEU
Atom CA of residue 23
Atom C of residue 96
ASN
mol_1 rigid body
Atom O of residue 566
Atom CA of residue 505
TYR
LEU
VAL
SER
Atom CA of residue 65
Atom CD of residue 157
Atom CA of residue 35
PRO
PHE
PRO
VAL
Atom CB of residue 110
Atom CA of residue 2661
Atom CB of residue 98
Atom CA of residue 571
LEU
VAL
Atom CA of residue 37
LEU
Atom CD2 of residue 53
python stream rigid body rigid body positions
PHE
Atom CB of residue 134
Atom C of residue 582
Atom CA of residue 325
Atom CA of residue 92
GLY
Atom CA of residue 581
Atom CA of residue 128
Atom CA of residue 44
Atom CA of residue 151
Atom O of residue 96
ALA
Atom CA of residue 48
GLY
CYS
Atom CA of residue 66
Atom CA of residue 22
Atom CA of residue 107
LYS
Atom CB of residue 152
Atom CA of residue 42
Atom CA of residue 33
Atom CA of residue 83
VAL
Atom C of residue 581
Atom C of residue 26
ARG
Atom CA of residue 299
Atom CG of residue 110
ASP
LYS
PRO
Atom OD1 of residue 51
Atom CE2 of residue 507
Atom CG of residue 98
ILE
Atom C of residue 56
Atom CA of residue 568
Atom C of residue 36
Atom CA of residue 47
Atom CA of residue 250
Atom C of residue 54
Atom CA of residue 567
Atom CG of residue 134
Atom CA of residue 35
Atom CA of residue 474
Atom CA of residue 554
Atom CA of residue 67
VAL
Atom CA of residue 120
PRO
Atom C of residue 65
Atom CA of residue 509
Atom C of residue 23
AccumulateRigidBodyDerivatives15
Atom CD1 of residue 562
Atom CA of residue 35
python stream rigid body rigid body positions
GLY
Atom CB of residue 458
Atom CA of residue 2658
Atom CA of residue 197
Atom O of residue 26
THR
Atom C of residue 9
Atom CA of residue 57
PRO
Atom C of residue 37
Atom CA of residue 483
Atom CA of residue 469
ILE
Atom O of residue 582
SER
Atom CA of residue 467
Atom OD2 of residue 51
Atom CZ of residue 507
ALA
Atom O of residue 56
Atom O of residue 36
Atom CA of residue 2648
Atom CA of residue 28
Atom C of residue 26
Atom O of residue 54
Atom CA of residue 98
ARG
Atom CA of residue 25
Atom CB of residue 108
Atom C of residue 537
SER
Atom CB of residue 444
SER
Atom CA of residue 375
Atom N of residue 153
HIS
Atom O of residue 23
Atom C of residue 110
Atom CB of residue 147
Atom O of residue 581
Atom CA of residue 97
ALA
Atom CA of residue 76
Atom CD2 of residue 562
LYS
Atom CA of residue 48
Atom N of residue 459
Atom CA of residue 56
GLU
Atom CA of residue 148
Atom C of residue 23
SampledDensityMap20
Atom CA of residue 46
Atom CA of residue 326
VAL
LEU
PRO
Atom O of residue 13
Atom CZ of residue 125
THR
Atom O of residue 26
GLN
Atom O of residue 65
Atom C of residue 4
ALA
Atom OG1 of residue 108
Atom CZ of residue 487
Atom CD of residue 571
LYS
Atom O of residue 537
Atom CG of residue 444
Atom CA of residue 76
Atom CB of residue 503
Atom CA of residue 23
Atom CB of residue 533
ASP
Atom CA of residue 2668
Atom CA of residue 567
GLU
Atom CA of residue 10
GLU
GLU
Atom O of residue 110
Atom CA of residue 125
Atom CB of residue 566
Atom O of residue 37
GLU
VAL
Atom CB of residue 582
GLU
HIS
Atom CA of residue 66
SER
ARG
SER
Atom O of residue 23
ASN
Atom CA of residue 28
ALA
GLU
LEU
Atom NE1 of residue 53
LYS
SER
Atom CA of residue 509
Atom C of residue 83
Atom CA of residue 506
Atom CB of residue 581
Atom CG of residue 503
Atom N of residue 534
ASP
Atom CB of residue 96
ALA
Atom CA of residue 13
Atom CA of residue 36
LYS
PHE
Atom CG of residue 566
GLN
Atom CA of residue 18
ALA
Atom CA of residue 484
Atom CA of residue 470
Atom CA of residue 468
LEU
Atom CA of residue 572
Atom C of residue 474
ILE
ALA
GLU
Atom CB of residue 65
Atom CA of residue 93
Atom CA of residue 582
Atom CA of residue 129
GLU
Atom OD1 of residue 110
Atom CA of residue 16
Atom CA of residue 152
Atom O of residue 77
Atom CA of residue 153
PRO
Atom CA of residue 49
Atom O of residue 83
Atom CD of residue 98
GLY
Atom CA of residue 21
LYS
Atom CA of residue 108
Atom CA of residue 20
Atom CB of residue 37
Atom CG of residue 96
Atom CD1 of residue 134
Atom CG of residue 582
Atom CA of residue 49
MET
Atom CA of residue 11
VAL
Atom CB of residue 13
Atom CA of residue 300
Atom O of residue 4
PRO
Atom CA of residue 327
Atom O of residue 474
Atom CB of residue 26
Atom CA of residue 569
Atom CA of residue 48
Atom CA of residue 251
Atom CA of residue 568
Atom CA of residue 106
Atom N of residue 52
Atom CG of residue 581
MET
Atom CA of residue 555
Atom N of residue 57
Atom CB of residue 36
Atom CA of residue 24
Atom CA of residue 68
Atom OD2 of residue 110
SER
Atom CA of residue 121
ASN
Atom CB of residue 54
ASP
Atom CA of residue 510
Atom OE1 of residue 98
Atom NH1 of residue 125
ALA
VAL
Atom CD2 of residue 134
Atom CB of residue 23
Atom NH1 of residue 487
LYS
Atom CA of residue 2659
Atom CA of residue 198
PRO
Atom CA of residue 58
HIS
Atom CE1 of residue 562
Atom OG1 of residue 65
GLY
Atom CA of residue 7
Atom N of residue 27
Atom CA of residue 31
Atom CA of residue 2649
Atom CA of residue 99
Atom C of residue 153
ARG
GLN
GLY
Atom C of residue 125
SER
LEU
Atom CG of residue 36
HIS
Atom CB of residue 26
Atom OG of residue 37
Atom CA of residue 376
Atom CG of residue 54
Atom CA of residue 20
Atom CA of residue 29
PHE
Atom CD of residue 582
LYS
Atom CA of residue 2
Atom N of residue 538
Atom CA of residue 432
Atom CA of residue 77
Atom CA of residue 77
Atom NH2 of residue 125
Atom CA of residue 485
Atom CA of residue 471
Atom CE2 of residue 53
Atom CG2 of residue 108
Atom CG1 of residue 23
Atom NH2 of residue 487
Atom CA of residue 469
Atom CB of residue 110
GLY
Atom CA of residue 57
Atom CD of residue 444
SER
Atom CA of residue 149
Atom C of residue 567
Atom C of residue 509
Atom CA of residue 47
CYS
Atom CD1 of residue 581
GLN
SER
ILE
TRP
ALA
Atom N of residue 24
Atom CB of residue 4
LYS
Atom O of residue 125
HIS
Atom CA of residue 21
Atom CA of residue 2669
Atom CA of residue 568
Atom N of residue 27
GLU
Atom CA of residue 18
Atom CA of residue 52
PRO
Atom CG2 of residue 65
Atom CE3 of residue 53
Atom N of residue 109
Atom CG of residue 110
Atom CA of residue 328
Atom OE1 of residue 444
Atom CA of residue 67
Atom OG1 of residue 7
Atom OD1 of residue 503
ALA
ASN
MET
LYS
Atom O of residue 153
SER
Atom CA of residue 37
Atom O of residue 509
Atom CD of residue 566
LEU
Atom CA of residue 25
GLY
ASN
Atom N of residue 38
PHE
Atom CG of residue 4
Atom CA of residue 26
Atom OE1 of residue 582
ASN
Atom CA of residue 507
SER
Atom CA of residue 11
Atom CA of residue 53
Atom CA of residue 459
VAL
Atom CB of residue 83
CYS
VAL
ARG
SER
Atom C of residue 106
Atom CD2 of residue 581
ILE
Atom CA of residue 573
Atom ND2 of residue 503
ALA
THR
GLU
THR
Atom CD of residue 96
Atom CA of residue 29
Atom N of residue 567
Atom CA of residue 94
Atom CA of residue 583
Atom CB of residue 474
Atom CE2 of residue 562
PRO
Atom CA of residue 17
Atom CA of residue 153
THR
PRO
THR
Chain C
PHE
ARG
Atom CA of residue 109
Atom N of residue 111
Atom N of residue 66
Atom CA of residue 472
GLN
Atom CA of residue 470
Atom CG of residue 83
Atom OE2 of residue 98
ILE
VAL
ALA
ARG
Atom CA of residue 12
Atom CA of residue 301
Atom CB of residue 153
Atom O of residue 106
Atom CE1 of residue 134
GLY
Atom CA of residue 57
Atom CA of residue 570
Atom CA of residue 49
Atom CA of residue 252
GLY
Atom CE of residue 96
Atom CA of residue 569
GLN
Atom NE2 of residue 582
Atom CG of residue 474
Atom CA of residue 556
Atom CG2 of residue 7
Atom CA of residue 534
Atom CA of residue 69
Atom CZ of residue 562
Atom CA of residue 22
GLU
Atom CA of residue 122
SER
Atom CA of residue 486
Atom CA of residue 511
Atom CA of residue 53
GLY
VAL
Atom N of residue 126
GLU
Atom N of residue 488
Atom CA of residue 2660
Atom CA of residue 329
Atom N of residue 582
Atom CA of residue 199
Atom CA of residue 59
Atom CD of residue 36
GLY
ARG
Atom CA of residue 2663
Atom CD of residue 54
Atom CA of residue 52
Atom CA of residue 32
Atom CA of residue 2650
Atom CA of residue 38
Atom CA of residue 100
Atom CG2 of residue 23
Atom CA of residue 538
PHE
Atom CA of residue 377
PRO
ALA
Atom CA of residue 30
VAL
Atom CB of residue 125
ALA
Atom CA of residue 78
Atom CA of residue 78
Atom CA of residue 6
CYS
SER
Atom CZ2 of residue 53
Atom CG of residue 153
HIS
python stream
MET
Atom CA of residue 58
Atom CA of residue 16
CYS
Atom CA of residue 150
Atom OE1 of residue 36
VAL
Atom CA of residue 24
Atom OE1 of residue 54
ILE
Atom CA of residue 48
LEU
Atom OE2 of residue 444
THR
PHE
ASP
LYS
TRP
Atom C of residue 459
Atom N of residue 24
Atom CB of residue 509
Atom OD1 of residue 110
TYR
Atom CA of residue 2670
ALA
Atom CA of residue 569
PHE
Atom CA of residue 66
Atom CA of residue 473
Atom CD1 of residue 4
LYS
Atom CB of residue 435
Atom CA of residue 471
Atom CG1 of residue 125
THR
GLN
Atom CZ3 of residue 53
Atom CA of residue 21
LYS
Atom CA of residue 27
Atom N of residue 8
LEU
GLU
TRP
Atom C of residue 38
Atom CA of residue 52
Atom N of residue 99
Atom CA of residue 574
Atom CA of residue 4
THR
ALA
Atom N of residue 504
GLN
Atom CA of residue 23
GLU
VAL
Atom CE2 of residue 134
THR
Atom CA of residue 54
Fit restraint internal rb map
Atom O of residue 459
Atom OG of residue 509
Atom OD2 of residue 110
ASN
Atom CA of residue 508
ALA
GLY
Atom CD of residue 153
ASP
Atom CD2 of residue 4
Atom CA of residue 30
Atom OG of residue 435
TYR
Atom CA of residue 330
Atom CA of residue 582
LEU
Atom C of residue 57
ASP
Atom O of residue 2
ARG
Atom CA of residue 5
Atom CA of residue 433
Atom CA of residue 574
THR
Atom C of residue 534
Model 39
GLU
LYS
ASP
Atom CB of residue 106
UpdateRigidBodyMembers15
Atom CD of residue 83
GLU
Atom CA of residue 95
Atom CA of residue 584
SER
Atom N of residue 563
Atom CB of residue 115
Atom CA of residue 27
Atom CA of residue 154
Atom C of residue 66
PHE
Atom NZ of residue 96
LYS
Atom CZ of residue 134
SER
GLU
LYS
Atom CA of residue 27
Atom CA of residue 110
PRO
Atom CA of residue 27
Atom CA of residue 38
Atom C of residue 52
SER
Atom CD1 of residue 474
ALA
Atom O of residue 57
Atom CA of residue 302
Atom O of residue 38
Atom CA of residue 109
Atom C of residue 538
LYS
Atom CA of residue 69
Atom CA of residue 571
Atom O of residue 534
Atom CA of residue 50
GLY
Atom CA of residue 253
Atom N of residue 107
GLU
Atom OE1 of residue 83
Atom CA of residue 34
ASP
Atom CA of residue 557
Atom CA of residue 70
VAL
Atom CA of residue 111
GLU
Atom CA of residue 123
ALA
Atom CA of residue 487
Atom CA of residue 474
Atom CE of residue 153
Atom N of residue 116
Atom CA of residue 512
Atom CA of residue 472
ALA
Atom C of residue 582
Atom N of residue 445
Atom CG of residue 9
Atom CA of residue 70
Atom C of residue 24
Atom CA of residue 2632
Atom O of residue 52
Atom CA of residue 2661
Atom CA of residue 200
Atom CD2 of residue 474
Atom CA of residue 60
SER
Atom CA of residue 2664
Atom CA of residue 7
PRO
Atom O of residue 538
Atom NE2 of residue 36
Atom CA of residue 24
Atom CA of residue 33
Atom CA of residue 2651
Atom OE2 of residue 54
Atom CA of residue 101
Atom O of residue 66
Atom CA of residue 55
ARG
ASN
Atom CA of residue 20
Atom CA of residue 378
Atom CA of residue 31
ASP
THR
Atom CA of residue 331
LYS
Atom CA of residue 79
Atom CA of residue 79
Atom C of residue 27
LYS
Atom N of residue 39
Atom O of residue 24
Atom CA of residue 2
Atom CA of residue 59
SER
Atom CA of residue 151
Atom CH2 of residue 53
Atom CA of residue 49
Atom CG2 of residue 125
SER
ASP
LEU
Atom CG of residue 62
Atom CA of residue 126
LYS
Atom C of residue 77
LEU
Atom NZ of residue 153
Atom CA of residue 488
ALA
Atom O of residue 582
ARG
PHE
Atom CA of residue 2671
SER
Atom CA of residue 570
GLY
GLN
VAL
Atom CB of residue 459
Atom N of residue 111
Atom CA of residue 19
Atom O of residue 27
Atom N of residue 97
Atom N of residue 5
VAL
Atom N of residue 436
Atom N of residue 510
GLU
ARG
PHE
ILE
Atom C of residue 27
Atom CB of residue 66
Atom N of residue 54
GLY
Atom CA of residue 53
Atom CD1 of residue 125
PRO
ARG
PRO
ARG
Atom CA of residue 475
Atom OH of residue 134
PHE
Atom CA of residue 473
ARG
Atom CA of residue 509
Atom CA of residue 8
GLY
Atom CA of residue 71
PRO
VAL
Atom CA of residue 12
Atom C of residue 109
Atom CA of residue 31
Atom CG of residue 459
LYS
GLU
PHE
THR
ARG
PRO
VAL
THR
ASN
Atom CA of residue 99
Atom CA of residue 575
Atom CA of residue 504
Atom CB of residue 57
Atom N of residue 576
Atom CA of residue 25
ARG
Atom C of residue 111
LEU
Atom O of residue 27
LYS
Atom OG of residue 574
Atom CA of residue 56
Atom CA of residue 454
Atom CA of residue 96
Atom CB of residue 582
Atom CA of residue 434
Atom CA of residue 585
Atom CA of residue 132
Model 4
Atom CB of residue 534
Atom CA of residue 155
ASN
Atom N of residue 135
Atom CA of residue 24
Atom OE2 of residue 83
Atom CA of residue 332
PRO
HIS
Atom N of residue 37
Atom CA of residue 28
Atom CA of residue 111
Atom N of residue 4
Atom CA of residue 39
Atom N of residue 55
ILE
Atom O of residue 109
Atom CA of residue 39
ILE
Atom CA of residue 36
GLN
Atom CA of residue 303
Atom CG of residue 66
Atom CA of residue 28
Atom N of residue 53
LYS
Atom CE2 of residue 575
Atom N of residue 475
Atom CG of residue 57
Atom CA of residue 572
Atom CA of residue 51
Atom O of residue 111
Atom CA of residue 254
Atom N of residue 154
PHE
Atom CB of residue 538
Atom CA of residue 558
Atom CG of residue 534
Atom CA of residue 71
GLU
SER
Atom CA of residue 124
LEU
Atom CA of residue 488
VAL
Atom CA of residue 513
GLN
SER
GLY
Atom CA of residue 141
Atom CA of residue 2633
Atom CA of residue 201
Atom CA of residue 61
Atom OG of residue 126
LEU
Atom CA of residue 563
VAL
Atom CA of residue 2665
Atom CB of residue 24
P1
GLY
Atom C of residue 488
LEU
TRP
Atom CG of residue 582
LYS
Atom CA of residue 34
Atom CA of residue 2652
Atom CA of residue 102
Atom CA of residue 14
Atom CA of residue 474
Atom CG of residue 538
VAL
SER
Atom CA of residue 445
LEU
Atom CA of residue 72
Atom CA of residue 379
Atom CA of residue 32
SER
Atom CA of residue 141
MET
Atom CA of residue 80
Atom CA of residue 80
Atom CA of residue 12
ILE
Atom N of residue 3
Atom CD of residue 66
ARG
Atom CA of residue 454
Atom CA of residue 60
PHE
Atom CB of residue 27
Atom CA of residue 152
Atom N of residue 127
Atom CA of residue 26
Atom CG of residue 24
LYS
Atom CA of residue 107
Atom CA of residue 57
Atom O of residue 488
THR
ILE
VAL
TYR
Atom C of residue 8
mol2 rigid body
PHE
GLU
Atom O of residue 117
LYS
ASP
Atom N of residue 126
Atom CA of residue 333
Fit restraint scratch map
Atom CA of residue 29
LEU
Atom CA of residue 2672
Atom CA of residue 571
VAL
LYS
Chain A
Atom C of residue 99
Atom CA of residue 37
GLU
Atom CA of residue 133
Atom C of residue 504
Atom C of residue 39
Atom N of residue 84
Atom CD of residue 582
Atom CG1 of residue 27
SER
ASP
LYS
Atom CA of residue 154
Atom CA of residue 16
Atom CD of residue 459
Atom C of residue 24
LEU
Atom CA of residue 510
Atom CA of residue 54
LEU
ILE
Atom C of residue 2
PRO
ASN
Atom CB of residue 27
MET
VAL
Atom CA of residue 5
Atom CA of residue 436
LEU
input1.pdb
ARG
Atom CA of residue 111
GLN
Atom CA of residue 510
Atom N of residue 67
Atom CA of residue 142
Atom CA of residue 97
LEU
THR
Atom CA of residue 32
SER
Atom O of residue 99
SER
Atom O of residue 504
SER
ALA
ASP
Atom O of residue 39
Atom CB of residue 109
LEU
ARG
Atom CA of residue 576
PRO
LEU
LYS
Atom CD2 of residue 77
ASP
Atom OE1 of residue 459
Atom O of residue 24
Atom CA of residue 475
LEU
Atom CA of residue 97
Atom CA of residue 435
Atom CA of residue 586
Atom CB of residue 111
Atom CA of residue 73
Atom CG1 of residue 27
Atom CA of residue 156
Atom CA of residue 408
PRO
Atom CA of residue 142
ASN
PRO
ARG
PRO
Atom CD1 of residue 57
Atom CA of residue 112
Atom C of residue 563
VAL
Atom CA of residue 40
Atom CA of residue 53
SER
Atom OE1 of residue 582
ALA
Atom O of residue 8
Atom OD1 of residue 534
Atom CA of residue 304
Atom CA of residue 27
P0
Atom C of residue 154
Atom CG1 of residue 109
Atom CA of residue 58
Atom C of residue 445
Atom CA of residue 573
ARG
LEU
Atom CA of residue 255
Atom OG of residue 7
GLU
Atom CA of residue 334
Atom CA of residue 14
Atom CA of residue 559
Atom CA of residue 37
Atom CA of residue 72
Atom CG of residue 111
GLU
Atom CA of residue 125
GLU
Atom CA of residue 55
THR
Atom CA of residue 489
LEU
Atom CA of residue 514
Atom CA of residue 38
Atom CA of residue 134
Atom CD2 of residue 57
Atom O of residue 563
Atom CA of residue 2634
Atom C of residue 107
Atom CA of residue 150
P0
Atom CD of residue 538
Atom CA of residue 52
Atom CA of residue 202
Atom CA of residue 475
Atom CB of residue 8
Atom CA of residue 62
Atom ND2 of residue 534
GLU
Atom CA of residue 2666
P2
TRP
GLU
Atom O of residue 445
Atom CA of residue 16
Atom CA of residue 35
Atom CA of residue 2653
PRO
Atom CA of residue 103
Atom CB of residue 488
VAL
ASN
Atom CA of residue 380
Atom CD1 of residue 24
Atom CA of residue 67
Atom CA of residue 143
Atom CA of residue 409
Atom CA of residue 33
SER
Atom CA of residue 141
Atom NE2 of residue 582
Atom CA of residue 81
Atom CA of residue 81
VAL
Atom O of residue 154
Atom O of residue 107
PHE
Atom C of residue 510
Atom N of residue 539
Atom CA of residue 61
Atom CA of residue 8
ALA
Atom CA of residue 153
Atom CA of residue 54
Atom C of residue 5
Atom C of residue 436
Atom C of residue 111
Atom O of residue 147
ARG
LEU
SER
LYS
Atom CD2 of residue 12
Atom N of residue 67
Atom CA of residue 74
ALA
Atom C of residue 97
Atom CG of residue 488
Atom CA of residue 143
LEU
Atom CG2 of residue 27
GLY
LEU
Atom CA of residue 2673
Atom CA of residue 572
TYR
Atom CD2 of residue 24
GLU
MET
Atom CA of residue 28
Atom CA of residue 17
Atom CA of residue 135
Atom CA of residue 59
Atom CA of residue 3
mol_3 rigid body rigid body positions
Atom O of residue 510
Atom CB of residue 99
Atom CA of residue 2663
Atom CB of residue 504
CYS
TYR
GLN
Atom N of residue 8
Atom CB of residue 39
Atom CA of residue 17
Atom O of residue 436
Atom CA of residue 55
Atom O of residue 111
Atom CA of residue 126
Atom CA of residue 335
LEU
ALA
ILE
Atom C of residue 67
ALA
Atom O of residue 97
PRO
THR
Atom NE2 of residue 459
Atom CB of residue 24
ARG
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom C of residue 53
Atom CA of residue 511
Atom N of residue 28
Atom CA of residue 135
Atom CB of residue 154
Atom CA of residue 33
Atom CA of residue 84
PRO
HIS
Atom CA of residue 5
LEU
Atom CA of residue 54
TYR
Atom CG2 of residue 27
ILE
Atom CA of residue 14
Atom CG of residue 99
Atom CA of residue 39
Atom CA of residue 577
Atom OG of residue 504
Atom C of residue 37
Atom CA of residue 37
Atom CA of residue 68
LEU
Atom CG of residue 39
Atom C of residue 55
TRP
PRO
GLU
Atom CA of residue 98
Atom CA of residue 436
Atom CA of residue 587
Atom CA of residue 157
Atom CA of residue 144
Atom CA of residue 410
Atom CA of residue 66
Atom CG2 of residue 109
Atom CA of residue 3
Atom OG1 of residue 24
Atom CA of residue 142
Atom O of residue 53
Atom N of residue 583
LEU
LEU
Atom C of residue 475
Atom N of residue 13
Atom CA of residue 113
PRO
Atom O of residue 5
ARG
Atom CA of residue 41
LYS
LEU
LYS
Atom N of residue 58
Atom CA of residue 305
Atom CB of residue 563
Atom CD of residue 111
Atom N of residue 28
ASN
Atom CA of residue 574
Atom O of residue 37
Atom N of residue 535
Atom CA of residue 256
Atom O of residue 55
Atom O of residue 67
Atom CA of residue 453
Atom CA of residue 144
Atom CB of residue 445
LEU
LEU
Atom CA of residue 560
Atom CA of residue 73
ASP
TYR
Atom CA of residue 126
SER
Atom CA of residue 490
TYR
Atom CG of residue 154
Atom CD1 of residue 109
Atom CA of residue 515
Atom O of residue 475
Atom CA of residue 29
Atom C of residue 54
Atom CA of residue 60
Atom CA of residue 53
ARG
Atom CA of residue 203
PHE
Atom CA of residue 63
LEU
Atom C of residue 67
LEU
Atom CG1 of residue 563
GLY
Atom OE1 of residue 111
Atom CA of residue 2667
Atom CA of residue 2635
Atom CB of residue 107
ASP
GLY
LEU
Atom CA of residue 336
LEU
Atom CA of residue 2654
Atom CA of residue 104
ALA
ASP
VAL
Atom CA of residue 517
THR
THR
Atom CG of residue 445
Atom CA of residue 136
Atom CA of residue 69
Atom CA of residue 381
Atom C of residue 135
GLU
Model 22
MET
Atom CA of residue 82
Atom CA of residue 82
VAL
Atom CE1 of residue 24
Atom O of residue 54
Atom N of residue 460
Atom SD of residue 488
Atom C of residue 126
Atom CA of residue 62
MET
ARG
Atom CA of residue 154
Atom CA of residue 38
Atom O of residue 67
Atom CB of residue 67
Atom CB of residue 5
Atom CG1 of residue 107
TYR
Atom CB of residue 510
DensityMap2
GLU
THR
VAL
ALA
ILE
PRO
Atom CA of residue 145
Atom CD of residue 154
Atom CA of residue 411
Atom CB of residue 436
Atom CA of residue 143
Atom C of residue 84
Atom CB of residue 111
Atom CA of residue 583
THR
THR
Atom CA of residue 2674
Atom CA of residue 573
ALA
Atom CB of residue 97
Atom O of residue 135
THR
LEU
PRO
Atom ND2 of residue 40
GLN
Atom CA of residue 7
Atom CE of residue 488
Atom CA of residue 2664
Atom O of residue 126
GLU
SER
Atom CA of residue 45
TYR
Atom CG1 of residue 5
Atom CA of residue 145
Atom CG of residue 510
Atom CA of residue 56
Atom CA of residue 9
ASP
LEU
ASP
PRO
GLN
VAL
GLU
Atom CA of residue 15
Atom CA of residue 43
Atom OG1 of residue 436
ARG
Atom O of residue 84
Atom CD of residue 99
Atom CG of residue 111
Atom CA of residue 512
Atom N of residue 505
Atom CA of residue 30
Atom CA of residue 5
Atom CD of residue 39
Atom CG1 of residue 97
Atom CA of residue 34
Atom CA of residue 61
Atom CB of residue 53
TRP
ARG
GLN
GLY
Atom CA of residue 55
VAL
Atom OG1 of residue 67
VAL
Atom CG2 of residue 24
Atom CA of residue 539
Atom CA of residue 337
Atom CA of residue 40
Atom CA of residue 578
PRO
PRO
ARG
Atom CE of residue 154
GLY
GLU
LEU
Atom CA of residue 99
Atom C of residue 583
Atom CA of residue 437
GLY
Atom CZ of residue 13
Atom CB of residue 37
TYR
Atom N of residue 56
Atom CA of residue 8
Atom OE1 of residue 99
PHE
ALA
SER
Atom CA of residue 77
Atom CA of residue 114
Atom N of residue 40
Atom N of residue 110
Atom CA of residue 42
Atom CG of residue 53
LYS
Atom CB of residue 475
LYS
Atom CA of residue 39
Atom CB of residue 569
Atom CA of residue 306
Atom CA of residue 10
Atom N of residue 25
GLU
Atom CA of residue 575
Atom OE2 of residue 111
Atom CA of residue 257
Atom CE2 of residue 24
Atom CA of residue 146
Atom CA of residue 412
PRO
Atom CA of residue 541
Atom CA of residue 144
Atom CA of residue 561
Atom OG of residue 37
Atom CA of residue 74
Atom CG2 of residue 563
LYS
ASP
Atom CA of residue 127
CYS
GLY
Atom CA of residue 491
Atom CA of residue 516
ARG
ARG
Atom CA of residue 28
Atom CA of residue 58
Atom CA of residue 22
Atom CG2 of residue 67
LYS
Atom CA of residue 54
PRO
HIS
Atom CA of residue 204
Atom CD of residue 445
Atom CG of residue 475
Atom CA of residue 64
Atom CA of residue 535
Atom CB of residue 67
GLU
VAL
Atom CA of residue 2668
Atom CB of residue 54
Atom NZ of residue 154
Atom CA of residue 2636
Chain A
Atom CA of residue 146
GLY
Atom O of residue 583
Atom O of residue 115
Atom CA of residue 2655
Atom CZ of residue 24
Atom CA of residue 105
LYS
Atom CA of residue 70
CYS
PHE
Atom CA of residue 91
Atom N of residue 564
Atom CA of residue 31
Atom CA of residue 382
Atom CG2 of residue 107
ILE
Atom CA of residue 62
Atom CA of residue 15
Atom CA of residue 83
Atom CA of residue 83
LYS
VAL
VAL
Atom CB of residue 135
VAL
Atom CA of residue 338
Atom CA of residue 63
Atom CE of residue 445
HIS
Atom CA of residue 155
Atom OG1 of residue 67
Atom C of residue 5
VAL
Atom CA of residue 28
Atom CG of residue 54
GLY
Atom N of residue 489
LYS
TYR
Atom CB of residue 126
GLU
Atom CG2 of residue 5
PHE
PRO
Atom CA of residue 2675
GLU
Atom CA of residue 574
VAL
Atom N of residue 68
Atom CD1 of residue 107
THR
Atom CA of residue 460
Atom OD1 of residue 510
Atom CB of residue 84
Atom C of residue 539
Atom CA of residue 40
Atom OG1 of residue 135
Atom CG2 of residue 436
Atom CA of residue 477
Atom CA of residue 2665
Atom CD of residue 111
Atom CB of residue 583
Atom NH1 of residue 13
PHE
Atom CA of residue 46
THR
Atom CG2 of residue 97
Atom CA of residue 413
SER
ALA
ALA
Atom CA of residue 145
Atom CA of residue 57
Atom CG of residue 126
ALA
ASN
ASN
ASP
GLN
Atom N of residue 6
Atom CA of residue 44
LEU
MET
Atom CA of residue 513
Atom N of residue 112
GLY
ILE
Atom CA of residue 35
Atom ND2 of residue 510
Atom CG of residue 84
Atom OE2 of residue 99
Atom O of residue 539
GLU
SER
GLU
Atom CA of residue 505
MET
Atom CA of residue 56
SER
THR
Atom N of residue 155
TYR
Atom N of residue 437
Atom OE1 of residue 111
Atom CA of residue 10
Atom CA of residue 579
PRO
Atom CA of residue 50
Atom CA of residue 56
PRO
Atom N of residue 98
Atom CA of residue 71
ILE
PRO
Atom CD1 of residue 53
Atom CA of residue 100
Atom C of residue 28
THR
Atom C of residue 58
Atom CA of residue 32
GLY
P1
Atom N of residue 148
Atom CA of residue 63
Atom CA of residue 438
Atom CA of residue 22
HIS
GLU
GLU
Atom C of residue 535
VAL
Atom CA of residue 115
Atom CA of residue 147
Atom CA of residue 43
SER
SER
Atom O of residue 148
Atom CA of residue 339
PHE
Atom OG1 of residue 583
PHE
Atom N of residue 38
Atom CA of residue 307
GLU
GLY
Atom CA of residue 576
Atom CA of residue 258
Atom N of residue 25
Atom CA of residue 542
Atom CD2 of residue 53
Atom CD of residue 475
Atom O of residue 28
Atom CA of residue 562
Atom O of residue 58
Atom CA of residue 75
GLU
Atom CB of residue 4
Atom CA of residue 128
SER
Atom CA of residue 68
Atom CA of residue 492
Atom CA of residue 110
Atom CA of residue 518
Atom CA of residue 147
Model 6
Atom CA of residue 41
Atom O of residue 535
THR
Atom C of residue 28
Atom CA of residue 23
PHE
ALA
ASP
Atom CA of residue 478
Atom CA of residue 55
ASP
THR
Atom CA of residue 205
Atom NH2 of residue 13
Atom CA of residue 65
GLY
GLY
ALA
Atom CA of residue 2669
Atom CA of residue 2637
SER
Atom CA of residue 146
LEU
Atom NZ of residue 445
Atom CA of residue 35
PRO
Atom CA of residue 2656
VAL
Atom CA of residue 106
ALA
LEU
Atom C of residue 460
GLY
LEU
Atom CE of residue 475
Atom CA of residue 92
Atom CG2 of residue 67
Atom CA of residue 383
Atom CD of residue 54
HIS
VAL
PHE
Atom CG2 of residue 583
Atom CA of residue 84
Atom CA of residue 84
VAL
Atom O of residue 28
Atom CA of residue 40
Atom CA of residue 155
Atom N of residue 108
Atom O of residue 572
Atom CA of residue 64
SER
Atom CA of residue 156
GLY
Atom CA of residue 414
Atom CA of residue 72
Atom CA of residue 25
LYS
Atom N of residue 100
ASP
Atom CA of residue 33
Atom C of residue 68
Atom CG2 of residue 135
Atom CA of residue 64
Atom O of residue 460
Atom CA of residue 6
LEU
PHE
ALA
Atom C of residue 505
LEU
Atom N of residue 68
Atom CA of residue 2676
PRO
Atom CA of residue 575
ALA
ARG
d1q3sa1.pdb
Atom OE1 of residue 54
HIS
Atom CA of residue 474
SER
Atom CD of residue 126
Atom C of residue 56
THR
Atom CA of residue 489
Atom N of residue 511
Atom CB of residue 539
Atom CA of residue 2666
ALA
Atom CA of residue 47
Atom O of residue 117
GLY
PHE
Atom CA of residue 58
Atom CD of residue 84
ASP
Atom OE2 of residue 111
PHE
HIS
PRO
ASP
HIS
Atom CA of residue 45
Atom N of residue 136
LEU
ARG
Atom CA of residue 514
Atom N of residue 584
Atom O of residue 505
Atom CA of residue 42
Atom CA of residue 564
LYS
Chain A
Atom C of residue 155
Atom CA of residue 36
LEU
Atom CA of residue 479
GLY
Atom OE1 of residue 126
PRO
HIS
THR
Atom CA of residue 57
Atom CA of residue 4
GLU
Atom O of residue 56
GLU
PRO
THR
Atom CG of residue 539
Atom O of residue 2
Atom CA of residue 580
ASP
THR
Atom CA of residue 51
ALA
Atom O of residue 68
Atom C of residue 110
PHE
Atom NE of residue 84
Atom N of residue 136
Atom CA of residue 101
VAL
Atom CA of residue 112
Atom CA of residue 4
Atom N of residue 54
Atom CA of residue 340
Atom CA of residue 439
Atom CA of residue 23
Atom N of residue 446
PRO
ARG
Atom CB of residue 28
Atom CB of residue 58
Atom CA of residue 116
Atom CA of residue 148
Atom CA of residue 44
Atom CA of residue 475
TYR
ALA
Atom CB of residue 535
Atom CA of residue 308
Atom CA of residue 41
PRO
Atom CA of residue 73
Atom CA of residue 519
SampledDensityMap10
Atom OE1 of residue 9
Atom CA of residue 577
Atom CA of residue 38
Atom CA of residue 34
Atom CA of residue 259
Atom CA of residue 6
Atom O of residue 110
Atom CA of residue 65
LEU
Atom CA of residue 21
Atom CA of residue 563
LYS
Atom CA of residue 76
ASP
ALA
Atom CA of residue 129
PHE
Atom C of residue 40
Atom CA of residue 493
Atom O of residue 155
LYS
Atom CA of residue 148
Atom CA of residue 147
VAL
VAL
GLN
LEU
Atom NZ of residue 475
Atom CG of residue 28
Atom CG of residue 58
Atom CA of residue 3
Atom CA of residue 24
Atom C of residue 25
TYR
Atom CA of residue 206
Atom CA of residue 66
Atom CG of residue 535
ILE
ARG
Atom CA of residue 2670
Atom CB of residue 28
Atom N of residue 69
Atom CA of residue 2646
Atom CA of residue 437
PHE
Atom CA of residue 2657
Atom CA of residue 107
Atom CA of residue 98
ILE
THR
Atom CA of residue 584
Atom CA of residue 432
Atom CA of residue 93
Atom CA of residue 43
Atom O of residue 40
Atom CA of residue 384
PHE
Atom CB of residue 460
Atom CA of residue 34
Atom C of residue 489
LYS
Atom CA of residue 480
Atom NE of residue 149
Atom N of residue 112
Atom CA of residue 85
Atom CA of residue 85
Atom N of residue 573
ALA
GLY
Atom C of residue 3
Atom CA of residue 25
Atom OE2 of residue 54
PRO
Atom O of residue 25
Atom CA of residue 65
LEU
Atom CA of residue 157
GLY
ASN
PRO
Atom CG of residue 28
Atom CA of residue 2638
Atom CA of residue 415
LYS
LEU
LYS
Atom C of residue 564
Atom CA of residue 11
Atom CB of residue 155
ALA
GLY
CYS
Atom CA of residue 2677
PRO
Atom CA of residue 576
SER
VAL
Atom CA of residue 108
ILE
LEU
Atom CG of residue 460
Atom O of residue 489
Atom CA of residue 476
Atom CG of residue 571
VAL
Atom CB of residue 505
Atom O of residue 4
ARG
Atom C of residue 77
HIS
Atom CA of residue 100
Atom CA of residue 2667
Atom NE2 of residue 126
Atom CD1 of residue 18
ARG
Atom CA of residue 67
Atom CA of residue 48
Atom C of residue 112
ILE
Atom N of residue 57
LEU
Atom CA of residue 59
MapReaderWriter38
Atom C of residue 584
VAL
ASN
THR
Atom O of residue 564
ALA
Atom CA of residue 46
VAL
ARG
PHE
Atom CZ of residue 84
Atom CD1 of residue 539
Atom CA of residue 515
Atom CA of residue 41
LEU
Atom CA of residue 53
ASP
Atom CA of residue 511
PRO
Atom OG of residue 505
PRO
Atom C of residue 38
Atom CA of residue 58
GLU
Atom CA of residue 69
Atom C of residue 6
ASP
Atom C of residue 147
1z5s_A.pdb
Atom CA of residue 581
Atom N of residue 476
Atom O of residue 112
PHE
LEU
ILE
Atom CG of residue 155
ALA
Atom CA of residue 68
Atom CA of residue 102
Atom CA of residue 44
VAL
Atom CB of residue 110
VAL
Atom CA of residue 481
Atom CD2 of residue 539
Atom CA of residue 341
Atom CA of residue 440
Atom CA of residue 24
ASN
LEU
ARG
Atom CA of residue 68
Atom CA of residue 117
Atom CA of residue 149
GLN
Atom CA of residue 45
Atom C of residue 437
LYS
PRO
Atom O of residue 38
Atom CA of residue 309
ASP
Atom C of residue 98
GLU
Atom CA of residue 520
Atom CA of residue 68
Atom CA of residue 18
Atom O of residue 584
VAL
Atom CD of residue 28
Atom CD1 of residue 58
Atom CA of residue 578
Atom CA of residue 260
Atom N of residue 55
Atom CA of residue 54
Atom CA of residue 446
Atom CA of residue 564
Atom CD1 of residue 535
Atom CA of residue 77
PHE
Atom N of residue 5
ALA
Atom C of residue 25
Atom CA of residue 494
Atom CG of residue 110
Atom CA of residue 136
Atom CA of residue 477
Atom CA of residue 149
Atom CA of residue 148
ARG
Atom CA of residue 15
Atom CB of residue 40
Atom CA of residue 25
Atom C of residue 69
Atom O of residue 437
VAL
Atom CA of residue 207
Atom CA of residue 67
ALA
Atom CA of residue 68
MET
Atom CA of residue 2671
Atom CD1 of residue 155
Atom O of residue 98
TYR
Atom CA of residue 11
Atom CB of residue 25
LYS
Atom N of residue 29
Atom CD2 of residue 58
ASN
Atom CA of residue 2658
Atom CA of residue 108
GLY
Atom CA of residue 73
Atom C of residue 108
PRO
LYS
Atom N of residue 127
ARG
Atom CD2 of residue 535
TRP
Atom CD of residue 28
Atom CA of residue 385
Atom O of residue 25
Atom CA of residue 2639
Atom O of residue 6
Atom C of residue 100
Atom CA of residue 86
Atom CA of residue 86
Atom CA of residue 76
SER
Atom OG1 of residue 40
TYR
Atom CB of residue 489
Atom NH1 of residue 84
Atom CB of residue 584
LEU
Atom CG of residue 13
Atom CA of residue 416
Atom CA of residue 69
Atom CD of residue 460
GLN
Atom CG of residue 25
ASP
Atom CA of residue 45
THR
Atom O of residue 108
Atom CA of residue 18
SER
Atom C of residue 511
Atom CA of residue 482
LEU
Atom CA of residue 112
ASP
PHE
PHE
Atom CB of residue 564
Atom CA of residue 2678
LEU
ARG
Atom CA of residue 577
Atom N of residue 29
GLY
Atom O of residue 69
ARG
Atom CA of residue 12
LYS
LYS
Atom O of residue 100
Atom CA of residue 67
Atom CA of residue 57
Atom CD2 of residue 155
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
MET
Atom CA of residue 69
Atom N of residue 490
Atom NH2 of residue 84
Atom CA of residue 2668
HIS
Atom CA of residue 49
ASN
Atom OE1 of residue 460
Atom CA of residue 12
Atom CA of residue 60
THR
Atom N of residue 506
PRO
Atom C of residue 68
Model 44
Atom CA of residue 36
Atom CB of residue 112
Writer to fast_temp_000.pdb
VAL
Atom CA of residue 47
Atom CA of residue 11
Atom CA of residue 478
ARG
VAL
Atom O of residue 511
Atom CA of residue 516
Atom OG1 of residue 564
Atom CA of residue 42
Atom N of residue 540
Atom CG of residue 584
LEU
ALA
Atom CA of residue 59
GLU
LYS
Atom CB of residue 6
Atom C of residue 54
Atom C of residue 446
Atom CA of residue 582
Writer to temp_000.pdb
Atom N of residue 39
LEU
PHE
ASP
Atom C of residue 136
ASP
Atom CA of residue 103
Atom CA of residue 2
Atom CD of residue 13
SER
Atom O of residue 68
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CG1 of residue 112
Atom CB of residue 69
THR
GLY
Atom CA of residue 342
LEU
Atom CA of residue 449
Atom CA of residue 25
VAL
LEU
MET
Atom CA of residue 118
Writer to slow_temp_000.pdb
Atom CA of residue 150
Atom CE1 of residue 155
Atom CA of residue 38
Atom CA of residue 46
PRO
Atom CA of residue 7
MET
Atom CA of residue 476
Atom CA of residue 310
ILE
Atom CG of residue 6
Atom CD of residue 110
Atom CA of residue 521
GLU
Atom O of residue 54
Atom O of residue 446
Atom CA of residue 579
PRO
Atom CA of residue 46
MET
UpdateRigidBodyMembers9
Atom CA of residue 261
Atom CB of residue 98
Atom O of residue 136
SER
Atom CA of residue 483
THR
Atom CA of residue 565
Atom NE of residue 13
Atom CE1 of residue 58
Atom CA of residue 78
GLU
ARG
Atom CA of residue 495
Atom CA of residue 150
Atom CA of residue 149
LEU
LEU
Atom CD1 of residue 584
Atom CA of residue 441
Atom N of residue 536
Atom CB of residue 25
VAL
Atom CA of residue 70
SER
SER
Atom CA of residue 208
Atom CA of residue 77
GLN
GLU
Atom CA of residue 8
Atom CA of residue 2672
Atom CA of residue 26
Atom CA of residue 13
Atom CA of residue 55
Atom CE of residue 110
Atom CA of residue 13
LEU
Atom C of residue 112
Atom CA of residue 34
THR
Atom CA of residue 37
Atom CA of residue 2659
Atom CG2 of residue 40
LEU
Atom CG of residue 69
Atom CA of residue 74
Atom CG of residue 98
Atom CA of residue 479
Atom CA of residue 202
Atom CA of residue 13
PHE
GLU
ALA
Atom CA of residue 386
Atom C of residue 57
Atom CB of residue 574
Atom CA of residue 2640
Atom CB of residue 108
Atom CD of residue 25
PRO
Atom CA of residue 87
Atom CA of residue 87
TYR
ASP
THR
Atom CG1 of residue 25
MapReaderWriter25
Atom N of residue 85
Atom CB of residue 100
GLN
LYS
Atom CA of residue 417
GLU
Atom O of residue 112
Atom CA of residue 127
TRP
GLN
Atom N of residue 41
Atom NE2 of residue 460
VAL
ASP
Atom CD2 of residue 584
Atom CA of residue 2679
ASN
Atom CA of residue 578
ARG
Atom O of residue 57
ALA
Atom CE2 of residue 155
Atom OG1 of residue 108
VAL
LYS
SER
ILE
Atom N of residue 26
Atom CB of residue 511
Atom CA of residue 68
Atom CA of residue 50
GLY
LEU
Atom CG of residue 100
Atom CA of residue 2669
Fit restraint
Atom CA of residue 69
SER
Atom CA of residue 47
Atom CG2 of residue 564
ASN
Atom CA of residue 50
ALA
Atom CA of residue 25
Atom CD of residue 69
VAL
Atom CA of residue 484
Atom CA of residue 61
Atom CA of residue 29
LYS
LYS
PRO
THR
ASP
Atom O of residue 573
ALA
ARG
Atom CA of residue 569
Atom CA of residue 19
Atom C of residue 476
Atom CA of residue 506
Atom N of residue 69
Atom CA of residue 71
P1
SER
Atom OG1 of residue 511
GLU
ARG
Atom O of residue 12
Atom CE2 of residue 58
Atom CA of residue 39
Atom CA of residue 60
Atom CG2 of residue 112
GLU
VAL
Atom CA of residue 583
GLN
Atom N of residue 565
Atom CA of residue 38
CYS
THR
ASN
Atom OD1 of residue 6
GLY
Atom CA of residue 480
Atom CB of residue 54
Atom CA of residue 104
Atom N of residue 585
ARG
Atom CB of residue 446
Atom C of residue 85
Atom CA of residue 464
AccumulateRigidBodyDerivatives11
Atom CZ of residue 155
PRO
Atom CB of residue 136
Atom CA of residue 540
Atom CA of residue 343
TYR
THR
THR
Atom O of residue 476
ARG
Atom CA of residue 119
Atom CA of residue 29
Atom CA of residue 151
Atom C of residue 55
Atom CA of residue 39
Atom CA of residue 47
LEU
Atom CA of residue 490
Atom CZ of residue 58
Atom CA of residue 311
Atom N of residue 113
Atom NE of residue 69
GLU
Atom CA of residue 522
ALA
python stream
Atom CA of residue 442
Atom CA of residue 580
Atom CA of residue 30
Atom CA of residue 262
Atom OD2 of residue 6
Atom NZ of residue 110
Atom CA of residue 6
Atom CG1 of residue 54
Atom CG of residue 446
Atom CA of residue 566
ARG
Atom O of residue 569
Atom O of residue 85
Atom CA of residue 79
THR
Atom CA of residue 29
HIS
Atom CA of residue 432
Atom CG1 of residue 136
SER
Atom CA of residue 151
Atom CA of residue 150
ALA
GLN
Atom CA of residue 36
Atom O of residue 55
Atom ND1 of residue 98
GLY
Atom N of residue 461
GLU
Atom C of residue 127
Atom CA of residue 217
Chain A
Atom CA of residue 78
Atom CA of residue 10
Atom CA of residue 357
ARG
LEU
ARG
Atom CA of residue 2673
Atom CA of residue 27
THR
PHE
Atom CA of residue 485
ARG
TYR
GLY
Atom CA of residue 2660
SER
Atom CG2 of residue 25
LYS
Atom N of residue 156
Atom CA of residue 75
Atom CA of residue 203
Atom CB of residue 112
Atom CA of residue 5
Atom CA of residue 26
Atom CA of residue 536
VAL
Atom CA of residue 387
python stream
Atom CA of residue 2641
Atom CA of residue 72
P3
Atom CA of residue 88
Atom CA of residue 88
ARG
Atom CG of residue 8
Atom CB of residue 57
Atom CZ of residue 69
Atom CD2 of residue 98
THR
Atom CA of residue 4
LEU
Atom O of residue 127
THR
Atom C of residue 29
ASN
Atom CA of residue 39
THR
Atom CA of residue 418
Atom CG2 of residue 108
ALA
Atom CA of residue 481
ARG
Atom CA of residue 585
Atom CA of residue 132
Atom CA of residue 31
Atom C of residue 506
Atom CA of residue 465
Atom N of residue 26
ALA
Atom OD1 of residue 100
Atom CG1 of residue 112
MET
Atom C of residue 39
Atom CA of residue 2680
THR
Atom CA of residue 579
VAL
GLN
LYS
LEU
Atom CA of residue 69
Atom CG of residue 57
Atom CA of residue 51
LEU
Atom CA of residue 2670
SER
Atom O of residue 29
LEU
Atom CA of residue 51
ILE
Atom CA of residue 43
ALA
Atom N of residue 109
Atom CA of residue 9
Atom CG2 of residue 511
Atom CA of residue 62
Atom C of residue 540
PRO
Atom O of residue 506
GLU
Atom CA of residue 69
LYS
THR
Atom C of residue 29
Atom CA of residue 26
PRO
Atom C of residue 490
GLN
ALA
Atom CA of residue 85
Atom OD2 of residue 100
Atom CA of residue 37
Atom O of residue 39
VAL
Atom N of residue 111
P2
GLY
LYS
Atom CB of residue 476
Atom N of residue 59
Atom CA of residue 61
MET
ASP
ILE
Model 15
ASP
LYS
THR
Atom C of residue 585
Atom CA of residue 584
Atom C of residue 10
VAL
GLU
TYR
ASP
Atom CA of residue 156
HIS
ALA
Atom N of residue 512
Atom O of residue 540
Atom CA of residue 105
Atom CB of residue 85
Atom O of residue 29
Atom CA of residue 41
THR
Atom N of residue 7
Atom CA of residue 73
Atom O of residue 490
Atom CA of residue 344
PRO
SER
ASP
ILE
Atom CA of residue 120
Atom NH1 of residue 69
Atom CA of residue 152
GLN
Atom CA of residue 40
Atom CA of residue 48
Atom CA of residue 26
Atom CG2 of residue 54
Atom CD1 of residue 446
Atom CG1 of residue 476
LYS
Atom CA of residue 312
Atom CA of residue 40
Atom O of residue 5
Atom N of residue 56
Atom CA of residue 566
LEU
Atom CG2 of residue 136
Atom CA of residue 523
Atom CA of residue 10
Atom CA of residue 20
Atom CA of residue 482
Atom CA of residue 443
Atom CA of residue 581
Atom CA of residue 32
Atom C of residue 536
Atom CA of residue 466
Atom CA of residue 263
Atom CE1 of residue 575
Atom CA of residue 486
ASN
Atom CA of residue 567
Atom CG of residue 85
Atom CA of residue 80
ALA
Atom CA of residue 30
SER
Model 10
Atom CA of residue 152
Atom CA of residue 151
TYR
ALA
Atom CA of residue 133
ASN
Atom N of residue 55
GLU
Atom O of residue 585
Atom CA of residue 218
LYS
Atom CD2 of residue 446
Atom CA of residue 79
Atom CA of residue 358
THR
ASP
Atom C of residue 4
Atom CA of residue 2674
Atom CA of residue 28
GLN
GLY
Atom C of residue 156
Atom CE1 of residue 98
Atom CD1 of residue 136
MET
Atom CB of residue 127
Atom O of residue 536
Atom CA of residue 2661
Atom CA of residue 565
VAL
Atom CA of residue 76
PRO
P5
Atom CA of residue 204
Atom CA of residue 38
Atom CA of residue 388
ALA
Atom NH2 of residue 69
Atom CA of residue 2642
Atom CA of residue 461
Atom CA of residue 89
Atom CA of residue 89
Atom O of residue 10
SER
ASN
ASP
Atom CG2 of residue 112
LEU
GLY
GLN
Atom C of residue 69
Atom CA of residue 113
PRO
Atom CA of residue 419
THR
Atom C of residue 85
PRO
Atom CG of residue 127
Atom CB of residue 29
LEU
Atom CD1 of residue 57
Atom CA of residue 14
ILE
Atom CA of residue 41
Atom CA of residue 74
THR
PRO
Atom CB of residue 506
Atom CA of residue 2681
PRO
Atom CA of residue 580
ASN
ALA
MET
LYS
P6
Atom N of residue 101
Atom CA of residue 70
Fit restraint scratch map
Atom CB of residue 585
Atom CA of residue 27
Atom CB of residue 39
Atom CA of residue 41
Atom O of residue 156
PRO
LEU
Atom CA of residue 483
Atom CA of residue 2671
Atom N of residue 113
PRO
LEU
Atom CA of residue 48
Atom O of residue 69
LEU
Atom CA of residue 467
SER
Atom C of residue 41
Atom CD of residue 149
VAL
Atom CA of residue 63
Atom O of residue 85
LEU
Atom OG1 of residue 29
ASN
LEU
LYS
Atom CD2 of residue 57
Atom CA of residue 27
Atom N of residue 70
PRO
Atom C of residue 26
ALA
GLN
PHE
Atom CB of residue 540
Atom CA of residue 134
Atom OG of residue 506
Atom CB of residue 29
Atom CB of residue 490
LYS
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.em
ASP
HIS
Atom CG of residue 39
Atom CA of residue 62
ASP
GLY
P4
Atom CA of residue 585
LYS
Atom O of residue 41
GLY
THR
LYS
GLN
Atom CA of residue 106
Atom CA of residue 483
Atom CB of residue 10
Atom CG2 of residue 476
Atom CZ of residue 77
Atom C of residue 9
Atom CA of residue 26
ILE
Atom NE2 of residue 98
ALA
Atom CA of residue 111
Atom CA of residue 22
Atom O of residue 26
Atom CG of residue 540
Atom CA of residue 345
Atom CG of residue 585
SER
ILE
TRP
Atom CA of residue 121
Atom OG1 of residue 29
Atom CA of residue 153
Atom CA of residue 56
Atom CB of residue 156
Atom CA of residue 41
Atom CA of residue 49
Atom CG1 of residue 490
GLU
Atom CA of residue 39
ALA
Atom CD1 of residue 85
Atom CA of residue 313
Atom C of residue 565
GLU
Atom CA of residue 567
ALA
Atom CA of residue 7
Atom CA of residue 524
VAL
Chain A
Atom CA of residue 444
Atom N of residue 447
Atom CA of residue 582
Atom CA of residue 264
THR
Atom CA of residue 109
TRP
Atom N of residue 137
Atom CA of residue 75
Atom C of residue 461
Atom CA of residue 12
Atom CA of residue 487
GLU
Atom CA of residue 568
Atom N of residue 477
Atom CA of residue 59
GLY
Atom CA of residue 81
Atom CB of residue 536
VAL
Atom CA of residue 31
LEU
Atom CA of residue 16
Atom N of residue 99
Atom CA of residue 153
Atom CA of residue 152
ARG
HIS
Atom CA of residue 42
Atom C of residue 113
Atom CA of residue 484
GLU
Atom CA of residue 219
VAL
Atom CA of residue 80
Atom CA of residue 51
Atom CD2 of residue 85
ASP
Atom O of residue 565
Atom CA of residue 468
Atom CA of residue 2675
Atom CA of residue 37
LEU
SER
LEU
Atom CA of residue 48
ILE
Atom CA of residue 70
Atom CA of residue 77
Atom CB of residue 7
TYR
Atom O of residue 461
PHE
GLU
Atom CA of residue 512
Atom CA of residue 205
Atom CD1 of residue 585
Atom CA of residue 135
Atom CG of residue 536
Atom CA of residue 389
Atom N of residue 157
Atom CA of residue 2643
Atom OD1 of residue 127
Atom CA of residue 90
Atom CA of residue 90
Atom CA of residue 360
LEU
Atom CA of residue 54
Atom O of residue 113
ALA
TYR
Atom CG of residue 10
Atom CA of residue 29
Atom CA of residue 420
CYS
GLU
ALA
Atom CB of residue 69
Atom CA of residue 42
ALA
Atom CB of residue 85
SER
GLU
Atom CA of residue 2682
GLU
Atom CA of residue 581
VAL
Atom N of residue 58
LYS
THR
GLU
Atom CA of residue 71
Atom OD2 of residue 127
MET
Atom CG2 of residue 29
PHE
ARG
LYS
ASN
LYS
Atom CA of residue 55
Atom CA of residue 2672
GLU
Atom CA of residue 28
GLN
Atom N of residue 507
LYS
GLN
Atom C of residue 26
Atom C of residue 70
Atom C of residue 111
Atom CA of residue 76
ARG
Atom CA of residue 64
Atom CD2 of residue 585
SER
LEU
Atom CD of residue 39
GLY
Atom CG of residue 69
ASN
Atom CB of residue 41
Atom CA of residue 28
GLY
Atom C of residue 56
PRO
LYS
ALA
Atom CG of residue 85
Atom CA of residue 101
Atom CA of residue 43
PHE
Atom C of residue 7
Atom CA of residue 20
Atom CB of residue 26
ASN
Atom N of residue 30
ARG
Atom CA of residue 52
Atom CA of residue 63
Atom CA of residue 469
GLU
Atom C of residue 109
Atom CA of residue 14
Atom SD of residue 540
Atom CA of residue 484
Atom CA of residue 586
Atom C of residue 59
PHE
Atom CG2 of residue 29
LYS
Atom O of residue 26
PRO
Atom O of residue 111
Atom CG2 of residue 490
Atom CA of residue 107
Atom CA of residue 136
Atom N of residue 40
Atom CG1 of residue 41
Atom O of residue 56
Atom CA of residue 157
ASP
GLU
Atom CA of residue 346
GLY
ILE
SER
VAL
Atom CA of residue 122
Atom CA of residue 154
Atom CA of residue 42
Atom CA of residue 50
Atom CG of residue 26
Atom CA of residue 40
SER
Atom SD of residue 10
Atom CA of residue 314
Atom CG1 of residue 4
Atom O of residue 70
Atom CA of residue 568
ILE
Atom O of residue 109
Atom NZ of residue 146
Atom CA of residue 525
LYS
Atom C of residue 512
Atom CE of residue 540
Atom CA of residue 113
Atom CE1 of residue 585
Atom CA of residue 445
Atom CA of residue 15
Atom N of residue 2
Atom O of residue 59
Atom CA of residue 583
Atom N of residue 86
Atom CB of residue 565
Atom CA of residue 265
Atom N of residue 30
GLU
Atom N of residue 491
Atom CA of residue 488
Atom CA of residue 3
Atom CA of residue 569
Atom CA of residue 82
CYS
LYS
Atom CA of residue 32
LEU
Atom CB of residue 461
HIS
Atom CA of residue 8
Atom CA of residue 485
Atom CA of residue 154
Atom CA of residue 153
Atom CA of residue 7
ASP
GLY
ARG
VAL
GLU
Atom CA of residue 220
Atom CA of residue 447
Atom CA of residue 81
PHE
Atom CD1 of residue 536
Atom CB of residue 113
Atom CA of residue 2676
Atom CA of residue 137
Atom CA of residue 77
Atom O of residue 512
PHE
ASP
LEU
Atom CG of residue 565
Atom CA of residue 49
GLY
Atom C of residue 157
Atom CA of residue 78
Atom O of residue 7
Atom CA of residue 206
Atom CA of residue 44
Atom CA of residue 30
Atom CA of residue 390
Atom CA of residue 2644
Atom OG1 of residue 461
Atom CA of residue 21
Atom C of residue 55
SER
Atom CA of residue 91
Atom CA of residue 91
Atom CA of residue 361
Atom CA of residue 53
GLN
Atom CA of residue 55
Atom CA of residue 470
Atom CB of residue 70
Atom N of residue 128
ALA
LYS
Atom CD2 of residue 536
Atom CG of residue 113
Atom CA of residue 421
PRO
Atom C of residue 101
ILE
LYS
Atom CA of residue 77
Atom CA of residue 5
ARG
Atom CE of residue 10
Atom CA of residue 477
Atom CA of residue 2683
ASN
Atom CA of residue 582
ALA
LYS
THR
SER
Atom O of residue 55
Atom CA of residue 72
SER
Atom CD of residue 69
Atom CG2 of residue 4
SER
SER
PHE
Atom CD1 of residue 85
Atom CA of residue 2673
PRO
Atom CE2 of residue 585
LYS
LYS
THR
LYS
Atom CA of residue 25
Atom O of residue 157
Atom CA of residue 99
ALA
MET
Atom CA of residue 65
ILE
Atom O of residue 101
python stream
PRO
ALA
Atom CA of residue 507
MET
ALA
Atom CA of residue 2663
PRO
Atom CB of residue 26
Atom CA of residue 58
Atom CA of residue 37
Atom CB of residue 111
THR
LYS
LYS
Atom CA of residue 75
THR
ASN
VAL
Atom OG1 of residue 70
Atom N of residue 57
Atom C of residue 113
ILE
LEU
Atom CA of residue 64
Atom NE of residue 69
ASP
Atom CG2 of residue 41
Atom CA of residue 78
LEU
Atom CD2 of residue 85
Atom CA of residue 485
Atom CA of residue 587
LYS
LYS
Atom CB of residue 109
Atom CA of residue 29
Atom CA of residue 16
Atom CD1 of residue 26
Atom N of residue 541
Atom CA of residue 10
Atom CA of residue 108
Atom CB of residue 59
Atom CA of residue 45
LYS
ASP
Atom N of residue 27
Atom CA of residue 29
GLN
Atom CG of residue 111
GLN
Atom CA of residue 347
THR
GLY
Atom C of residue 447
Atom CA of residue 141
Atom CA of residue 54
VAL
Atom CA of residue 123
Atom CA of residue 471
Atom CA of residue 155
LEU
Atom C of residue 137
Atom CA of residue 43
Atom CA of residue 51
Atom O of residue 113
Atom CZ of residue 585
Atom CD1 of residue 116
Atom CA of residue 315
Atom N of residue 42
Atom CB of residue 157
Atom CA of residue 569
ARG
Atom CA of residue 526
Atom CA of residue 446
Atom N of residue 11
Atom CA of residue 584
Atom CA of residue 266
Atom CG1 of residue 109
Atom CD2 of residue 26
Atom CB of residue 512
Atom CA of residue 489
ALA
LYS
Atom CA of residue 22
Atom CA of residue 570
Atom CG of residue 59
Atom CA of residue 83
LYS
Atom CD1 of residue 4
Atom CA of residue 33
GLN
GLN
Atom CG2 of residue 70
P7
Atom CA of residue 486
Atom CA of residue 155
Atom CA of residue 154
ALA
PRO
Atom O of residue 447
Atom CD of residue 565
Atom O of residue 137
GLU
ALA
ASP
Atom CA of residue 221
Atom CA of residue 30
Atom CA of residue 82
Atom CA of residue 86
ASP
Atom CA of residue 2677
Atom CG2 of residue 461
Atom C of residue 477
Atom CE1 of residue 536
ILE
ARG
Atom CA of residue 79
Atom CG of residue 512
Atom CA of residue 207
ARG
CYS
Atom CA of residue 40
VAL
Atom CD of residue 113
SER
Atom CA of residue 31
Atom CA of residue 391
GLN
Atom CA of residue 2645
ARG
ALA
Atom CA of residue 147
Atom OH of residue 585
Atom CA of residue 92
Atom CA of residue 92
Atom CA of residue 362
MET
Atom CA of residue 56
Atom CE of residue 565
Atom CG of residue 157
Atom C of residue 99
Atom CA of residue 79
Atom CA of residue 9
Atom CB of residue 55
MapReaderWriter42
THR
Atom CA of residue 2
VAL
Atom C of residue 507
Atom C of residue 58
Atom CA of residue 422
THR
Atom N of residue 462
THR
Atom O of residue 477
Atom C of residue 569
Atom CA of residue 46
Atom CA of residue 30
Atom N of residue 71
Atom CA of residue 491
Atom CB of residue 101
LYS
THR
Atom CA of residue 142
Atom CA of residue 55
Atom OE1 of residue 113
Atom CA of residue 2684
ARG
Atom CA of residue 472
Atom CA of residue 583
GLY
PHE
Atom CA of residue 26
HIS
TYR
LEU
Atom CA of residue 73
Atom CA of residue 128
TYR
PHE
Atom O of residue 99
ALA
GLU
Atom CA of residue 19
Atom CG1 of residue 55
Atom CA of residue 2674
LEU
Model 50
LEU
Atom O of residue 507
Atom CZ of residue 69
Envelope penetration restraint
GLU
Atom O of residue 58
ALA
Atom N of residue 86
PHE
LEU
GLU
Atom CA of residue 2664
ASP
Atom CA of residue 6
Atom CA of residue 57
VAL
PHE
LYS
LYS
Atom CG of residue 101
Atom N of residue 586
Atom CA of residue 76
Atom CA of residue 18
Atom CD of residue 157
PRO
GLY
ALA
Atom CA of residue 65
PHE
VAL
Atom CA of residue 30
Atom CG of residue 83
Atom CD of residue 111
ALA
GLY
Atom CB of residue 113
Atom CA of residue 486
ALA
Atom CA of residue 2629
PRO
SER
LEU
GLU
Atom CA of residue 30
LEU
Atom CA of residue 109
VAL
TYR
Atom CA of residue 67
ALA
SER
LYS
Atom N of residue 27
Atom CA of residue 348
LEU
VAL
Atom C of residue 30
Atom C of residue 86
Atom CE2 of residue 536
VAL
Atom CA of residue 124
Atom CA of residue 156
Atom CG2 of residue 109
Atom CA of residue 44
Atom CA of residue 52
Atom CA of residue 80
Atom CB of residue 447
Atom C of residue 12
Atom CD of residue 59
Atom CA of residue 316
Atom CA of residue 570
LEU
Atom OE1 of residue 111
Atom CB of residue 137
Atom CA of residue 527
Atom CA of residue 541
Atom CA of residue 6
Atom CG of residue 113
Atom CA of residue 447
Atom CA of residue 585
Atom C of residue 40
Atom CA of residue 47
Atom CA of residue 267
Atom CA of residue 71
LYS
Atom CA of residue 490
ASP
LYS
Atom O of residue 3
python stream
Atom CA of residue 23
Atom CA of residue 143
Atom CA of residue 571
Atom CA of residue 56
DensityMap23
Atom CA of residue 84
LEU
PHE
THR
LEU
ARG
GLY
ARG
Atom CA of residue 487
Atom CA of residue 156
Atom CA of residue 155
ASP
GLU
Atom O of residue 30
Atom O of residue 86
Atom CZ of residue 536
Atom CD1 of residue 109
Atom CD1 of residue 512
ASP
Atom CA of residue 222
Atom CG of residue 447
Atom CA of residue 83
Atom CA of residue 11
Atom CE of residue 59
LEU
Atom NZ of residue 565
Atom CA of residue 2678
Atom C of residue 30
Atom CG of residue 137
Atom C of residue 491
LEU
Atom CA of residue 52
Atom O of residue 40
PRO
Atom CA of residue 12
Atom CA of residue 27
Atom CA of residue 80
Atom O of residue 433
ASP
Atom CA of residue 68
Atom CA of residue 208
Atom C of residue 128
Atom CA of residue 586
Atom CB of residue 477
LYS
Atom NH1 of residue 69
Atom CA of residue 474
Atom CA of residue 32
Atom CA of residue 392
Atom CA of residue 2662
PRO
Atom CA of residue 66
Atom CA of residue 93
Atom CA of residue 93
Atom CA of residue 363
THR
Atom CA of residue 57
Atom OE2 of residue 113
ASP
Atom CA of residue 19
Atom ND1 of residue 83
Atom CD2 of residue 512
VAL
Chain D
Atom CA of residue 567
GLY
Atom CA of residue 42
Atom O of residue 30
Atom C of residue 71
Atom C of residue 57
Atom CB of residue 99
Atom CA of residue 423
LYS
Atom O of residue 491
Atom CA of residue 4
ILE
GLU
GLU
Atom CB of residue 507
Atom CA of residue 43
Atom CB of residue 58
Atom CB of residue 433
Atom CG2 of residue 55
LEU
Atom O of residue 128
Atom OG of residue 477
Atom NH2 of residue 69
Atom CA of residue 2685
GLU
Atom CA of residue 584
MET
ALA
ASN
LEU
CYS
Atom CA of residue 81
Atom CA of residue 10
Atom CA of residue 74
SER
Atom C of residue 115
GLU
LEU
Atom CD2 of residue 83
ASP
Atom CA of residue 2675
Atom CD of residue 101
LEU
Atom O of residue 11
TYR
Atom CA of residue 48
PHE
Atom O of residue 57
Atom CG of residue 99
VAL
TYR
Atom CA of residue 12
Atom C of residue 586
GLY
Atom CA of residue 144
GLU
Atom CA of residue 57
Atom CG of residue 507
GLU
Atom CA of residue 2665
Atom CG of residue 58
ARG
ALA
PHE
Atom N of residue 56
Atom CA of residue 77
normalize rigid bodies
GLY
Atom C of residue 541
TYR
GLU
Atom CA of residue 66
GLU
Atom CA of residue 31
Atom O of residue 71
Atom CA of residue 21
ASP
Atom CA of residue 86
Atom CE of residue 101
Atom CA of residue 487
PRO
SER
LEU
Atom CA of residue 31
Atom NE2 of residue 111
Atom CA of residue 462
Atom CA of residue 110
Atom C of residue 6
Atom N of residue 566
SER
LEU
Atom CA of residue 130
Atom CD of residue 113
Atom CA of residue 349
ASP
CYS
Atom OH of residue 536
ALA
Atom CA of residue 125
Atom CA of residue 157
Atom CA of residue 45
Atom CA of residue 85
Atom CA of residue 35
Atom O of residue 541
Atom CB of residue 30
Atom CB of residue 86
Atom CA of residue 317
LYS
Atom C of residue 8
Atom C of residue 27
Atom CA of residue 571
ASP
Atom N of residue 110
Atom CA of residue 528
GLU
Atom O of residue 586
Atom CA of residue 448
TYR
Atom CA of residue 586
ARG
Atom NZ of residue 59
Atom N of residue 114
CYS
Atom CA of residue 2
Atom NH2 of residue 147
Atom CA of residue 27
Atom CA of residue 491
Atom CA of residue 24
Atom CD1 of residue 447
Atom CA of residue 572
Atom CB of residue 40
ASN
PRO
LEU
ALA
Atom CD1 of residue 137
Atom CA of residue 82
SampledDensityMap30
Atom CA of residue 488
Atom CA of residue 157
Atom CA of residue 156
Atom OE1 of residue 113
GLU
THR
Atom CB of residue 11
Atom N of residue 537
Atom C of residue 42
Atom CB of residue 71
GLU
Atom CA of residue 35
GLU
Atom CA of residue 223
Atom CA of residue 84
Atom CG of residue 30
Atom CG of residue 86
GLY
Atom CA of residue 49
Atom CA of residue 2679
Atom O of residue 27
LYS
ALA
Atom CE1 of residue 512
Atom CA of residue 13
Atom CA of residue 53
Atom CA of residue 145
Atom CA of residue 58
Atom N of residue 77
Atom CA of residue 86
ARG
ASP
Atom CB of residue 30
Atom CA of residue 81
Atom CG of residue 433
Atom CB of residue 491
Atom CA of residue 209
Atom CD2 of residue 447
PHE
Atom OG1 of residue 40
Atom N of residue 70
Atom CA of residue 33
Atom CA of residue 393
Atom CD2 of residue 137
Atom CB of residue 128
Atom CA of residue 94
Atom CA of residue 2630
Atom CA of residue 94
Atom CA of residue 5
Atom CA of residue 364
PRO
Atom CA of residue 58
Atom O of residue 8
Atom O of residue 42
SER
GLY
GLN
Atom CB of residue 586
ARG
Atom N of residue 478
Atom CA of residue 424
Atom CE1 of residue 83
ASN
Atom CB of residue 571
LYS
Fit restraint
Atom CA of residue 44
Atom CG of residue 30
Atom CB of residue 57
PHE
HIS
Atom CG of residue 491
GLY
THR
Atom CA of residue 2686
TYR
Atom CA of residue 585
THR
PRO
Atom OD1 of residue 99
Atom CA of residue 2647
Atom N of residue 112
LYS
THR
VAL
Atom C of residue 86
Atom CA of residue 75
Atom CG of residue 128
Atom CD1 of residue 507
GLY
LYS
Atom CD1 of residue 58
GLU
LYS
Atom C of residue 462
Atom CA of residue 131
Atom CA of residue 14
Atom CA of residue 2676
ARG
GLU
SER
LYS
ASP
GLN
Atom NZ of residue 101
PHE
SER
Atom CG of residue 11
Atom CA of residue 2666
Atom CG of residue 71
Atom CG of residue 57
Atom CA of residue 83
MET
PRO
ALA
Atom N of residue 3
Atom CA of residue 78
Atom N of residue 60
Atom OD2 of residue 99
Atom CA of residue 48
ILE
Atom CA of residue 36
Atom O of residue 86
Atom N of residue 587
ILE
ARG
Atom CD2 of residue 507
Atom CA of residue 67
Atom CA of residue 575
Atom CA of residue 50
THR
Atom CA of residue 32
Atom CA of residue 22
Atom CD2 of residue 58
Atom CA of residue 21
Atom O of residue 462
Atom C of residue 27
Atom CB of residue 541
Atom CA of residue 488
TRP
Atom CA of residue 146
Atom CA of residue 59
ASP
Atom CB of residue 8
GLY
Atom OD1 of residue 433
Atom CA of residue 32
Atom C of residue 148
Atom CA of residue 111
GLU
GLN
Atom CE2 of residue 512
Atom CA of residue 8
Atom CA of residue 350
ILE
LEU
Atom CA of residue 76
LEU
SER
Atom CA of residue 126
Atom CA of residue 20
Atom N of residue 148
Atom CA of residue 46
ALA
Atom OE2 of residue 113
LEU
Atom CA of residue 318
GLY
Atom CA of residue 572
GLU
Atom CA of residue 529
Atom O of residue 27
Atom N of residue 542
Atom CA of residue 453
LYS
Atom CA of residue 587
Atom CA of residue 566
ALA
Atom CB of residue 27
Atom OD2 of residue 433
HIS
Atom CA of residue 492
Atom CA of residue 25
Atom CA of residue 573
Atom CD of residue 30
Atom CD1 of residue 86
GLY
TYR
Atom CA of residue 12
LEU
Atom NE2 of residue 83
MET
Atom CA of residue 489
Atom CA of residue 157
Atom CA of residue 56
Atom CZ of residue 512
ARG
LEU
GLY
VAL
Atom N of residue 448
Atom C of residue 2
GLY
Atom CA of residue 110
Atom CE1 of residue 137
Atom CA of residue 132
ASP
Atom CD2 of residue 135
Atom CA of residue 224
Atom CA of residue 85
Atom CG2 of residue 40
ASP
SER
Atom CA of residue 114
Atom CA of residue 2680
Atom CB of residue 42
SER
Atom CA of residue 54
Atom CD1 of residue 11
Atom CA of residue 87
TYR
Atom CG1 of residue 27
Atom CD1 of residue 71
Atom CA of residue 82
Atom CA of residue 84
Atom CA of residue 210
Atom CE of residue 30
Atom CD2 of residue 86
Atom CA of residue 34
Atom CA of residue 394
Atom N of residue 84
LYS
Atom CA of residue 37
Atom CA of residue 9
Atom N of residue 102
Atom CA of residue 587
Atom CA of residue 95
ARG
Atom CA of residue 95
Atom CA of residue 365
Atom CA of residue 59
Atom CA of residue 51
Atom CA of residue 7
Atom CD of residue 30
SER
Atom CA of residue 54
Atom CE of residue 146
Atom CD of residue 491
MET
Atom CA of residue 2631
Atom N of residue 41
Atom CA of residue 60
Atom CB of residue 118
Atom OG of residue 42
Atom CA of residue 425
PRO
GLN
Atom CD of residue 128
Atom CA of residue 13
Atom CA of residue 478
Atom CA of residue 45
PHE
Atom OG of residue 7
MET
Atom CA of residue 2687
THR
Atom CA of residue 586
PRO
Chain B
ARG
Atom CA of residue 2648
LYS
GLU
ASP
Atom CA of residue 76
LEU
Atom CB of residue 577
SER
Atom CE of residue 30
Atom CD1 of residue 57
Atom N of residue 100
SER
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
VAL
Atom OE1 of residue 491
Atom CB of residue 86
Atom CA of residue 11
Atom CA of residue 2677
VAL
Atom CE1 of residue 507
Atom CD2 of residue 77
Atom CA of residue 70
Atom NE of residue 13
Atom CE1 of residue 58
PRO
ARG
Atom CB of residue 462
ASP
Atom N of residue 114
Atom N of residue 129
CYS
Atom CA of residue 2667
Atom CA of residue 112
ALA
PRO
Atom C of residue 587
Atom CA of residue 147
THR
Atom CA of residue 24
Atom CA of residue 49
Atom CA of residue 133
THR
LEU
Atom CD2 of residue 11
Atom CA of residue 77
MET
Atom C of residue 566
ALA
Atom CA of residue 8
Atom CA of residue 33
Atom CD2 of residue 71
Atom CD2 of residue 57
GLU
Atom CA of residue 23
Atom CG of residue 86
GLN
LEU
Atom CA of residue 489
GLU
Atom OE2 of residue 571
THR
VAL
Atom CA of residue 537
PHE
MET
Atom CA of residue 33
Atom CE2 of residue 137
Atom CA of residue 85
Atom CA of residue 15
Atom CG of residue 462
Atom CB of residue 27
Atom C of residue 56
ARG
Atom CA of residue 112
Atom CA of residue 60
ILE
Atom N of residue 434
Atom C of residue 110
Atom N of residue 513
LEU
Atom CA of residue 351
ASN
SER
ASP
Atom C of residue 114
Atom CA of residue 127
Atom CA of residue 52
GLU
Atom CA of residue 47
ARG
ASP
Atom CA of residue 61
Atom CA of residue 319
Atom O of residue 566
Atom CA of residue 573
TYR
Atom CA of residue 530
ARG
ILE
Atom CZ of residue 137
Atom CG of residue 27
Atom O of residue 56
Atom CA of residue 493
Atom O of residue 587
Atom CA of residue 464
Atom N of residue 8
Atom CA of residue 574
LYS
LYS
ALA
VAL
PRO
Atom O of residue 110
Atom CA of residue 490
Atom CA of residue 20
ALA
LEU
LEU
LYS
Atom NZ of residue 30
Atom N of residue 87
Atom O of residue 114
Atom CZ of residue 13
Atom CG2 of residue 27
GLY
PHE
Atom CA of residue 225
Atom CA of residue 86
Atom C of residue 478
Atom CA of residue 69
HIS
Atom CA of residue 2681
ASN
Atom CA of residue 450
Atom CA of residue 55
VAL
Atom CA of residue 88
VAL
Atom CA of residue 83
Atom CA of residue 211
ARG
Atom CE1 of residue 11
Atom CE2 of residue 507
PRO
Atom N of residue 43
Atom CA of residue 35
Atom CA of residue 395
Atom N of residue 72
Atom CA of residue 21
Atom CE2 of residue 58
LYS
Atom CA of residue 134
Atom CA of residue 96
Atom CA of residue 96
Atom OD1 of residue 40
ARG
GLU
Atom CA of residue 366
THR
Atom C of residue 70
Atom CA of residue 60
Atom N of residue 28
GLU
ARG
Atom CA of residue 55
Atom CA of residue 24
Atom CA of residue 542
ALA
Atom CA of residue 2632
Atom O of residue 478
Atom NZ of residue 30
Atom CA of residue 426
Atom CA of residue 66
Atom C of residue 112
Atom CA of residue 86
ILE
Atom CB of residue 587
Atom CA of residue 26
Atom CA of residue 46
ALA
Atom CA of residue 102
GLY
ALA
Atom N of residue 574
Atom CG of residue 9
Atom CZ of residue 507
Atom CA of residue 2688
ALA
Atom CA of residue 53
Atom CA of residue 587
GLN
ASP
Atom CZ of residue 58
Atom NH2 of residue 115
Atom CA of residue 2649
Atom CZ of residue 149
LEU
Atom CA of residue 2
Atom CA of residue 77
Model 48
Atom CA of residue 62
THR
Atom O of residue 70
Atom C of residue 537
SER
Atom CD of residue 8
CYS
LYS
Atom CA of residue 2678
Atom C of residue 60
Atom OD1 of residue 40
Atom N of residue 58
Atom O of residue 112
ALA
TRP
SER
ARG
Atom CA of residue 2668
VAL
Chain B
TYR
Atom CD1 of residue 86
Atom CA of residue 448
Atom CA of residue 148
Atom CA of residue 100
THR
PHE
Atom OD1 of residue 462
PHE
LEU
Atom CA of residue 78
Atom CD of residue 571
Atom O of residue 537
VAL
Atom CA of residue 34
ASP
VAL
Atom CA of residue 114
Atom CG1 of residue 587
GLY
Atom CA of residue 490
Atom CA of residue 12
Atom N of residue 31
Atom CA of residue 41
Atom O of residue 60
ILE
Atom CB of residue 566
ALA
Atom CA of residue 73
PHE
GLU
Atom CA of residue 84
Atom OH of residue 137
Atom CA of residue 113
TRP
HIS
Atom NE2 of residue 491
Atom CB of residue 56
Atom CA of residue 135
Atom CD2 of residue 86
Atom CA of residue 352
LYS
Atom C of residue 448
ILE
GLY
ARG
Atom CA of residue 128
TYR
Atom CB of residue 110
Atom CA of residue 48
GLN
Atom CA of residue 25
Atom CA of residue 34
Atom OD2 of residue 462
Atom CD of residue 27
VAL
Atom CA of residue 509
Atom CA of residue 320
Atom CB of residue 114
Atom CA of residue 574
ALA
Atom CA of residue 531
Atom CA of residue 87
Atom C of residue 576
Atom CE2 of residue 11
Atom CA of residue 132
Atom CG of residue 566
PRO
Atom NE of residue 8
Atom CA of residue 434
Atom N of residue 138
Atom CA of residue 494
Atom CA of residue 129
Atom CA of residue 17
Atom CA of residue 575
LEU
Atom CA of residue 54
VAL
Atom CA of residue 3
Atom N of residue 31
THR
Atom CA of residue 491
GLU
Atom CG1 of residue 56
Atom C of residue 542
LYS
TRP
Atom CA of residue 63
Atom CG of residue 110
Atom NE of residue 27
GLU
Atom CG2 of residue 587
Atom CA of residue 226
Atom CA of residue 87
THR
Atom CG of residue 114
Atom CA of residue 2682
GLN
PRO
ASP
Atom CA of residue 43
Atom CA of residue 513
Atom C of residue 102
Atom CA of residue 451
Atom CB of residue 478
Atom CA of residue 89
SER
Atom CA of residue 84
THR
Atom CA of residue 212
VAL
Atom CA of residue 87
Atom CA of residue 36
Atom CA of residue 396
Atom CA of residue 72
Atom N of residue 59
VAL
Atom O of residue 542
Atom CA of residue 97
LYS
Atom CA of residue 97
LYS
Atom CA of residue 367
Atom CA of residue 61
Atom CA of residue 43
ILE
Atom CA of residue 22
Atom CA of residue 56
TYR
VAL
ARG
Atom CA of residue 2633
Atom CB of residue 70
Atom CA of residue 427
Atom CA of residue 19
Atom O of residue 102
LEU
Atom N of residue 4
Atom OG of residue 478
GLU
Atom CA of residue 47
MapReaderWriter2
Atom C of residue 100
Atom CA of residue 52
Atom CB of residue 112
Atom CA of residue 21
Atom CA of residue 136
ILE
LEU
ILE
Atom CA of residue 2689
GLU
ASN
Atom CA of residue 41
LYS
Atom CA of residue 2650
LYS
Atom CA of residue 50
Atom N of residue 492
Atom C of residue 114
Atom CA of residue 78
Atom OXT of residue 587
Atom C of residue 41
LYS
MET
Atom OE1 of residue 11
Atom CA of residue 77
SER
Atom C of residue 84
ALA
Atom CA of residue 88
Atom CA of residue 2679
Atom CZ of residue 11
Atom OG1 of residue 70
Atom N of residue 538
Atom N of residue 4
input1.pdb
THR
VAL
ASP
ILE
PHE
Atom CB of residue 60
Atom CA of residue 2669
Atom CA of residue 55
Atom O of residue 100
Atom CG1 of residue 112
GLN
Atom CA of residue 27
Atom CA of residue 149
Atom CA of residue 64
Atom C of residue 509
Atom CA of residue 133
ASP
Atom N of residue 87
Atom O of residue 114
VAL
Atom O of residue 448
THR
Atom CA of residue 79
Atom O of residue 41
LYS
Atom CA of residue 116
Atom CA of residue 28
Atom CA of residue 35
Atom CA of residue 42
Atom CA of residue 58
Atom C of residue 434
Atom O of residue 84
CYS
Atom N of residue 463
Atom C of residue 129
PRO
Atom CA of residue 491
GLU
PRO
GLU
Atom CB of residue 126
1z5s_A.pdb
Atom CA of residue 36
ILE
Atom CA of residue 114
rigid bodies list
Atom CG of residue 60
PHE
CYS
GLY
Atom CA of residue 353
VAL
LEU
Atom O of residue 509
SER
Atom CA of residue 129
Atom CD of residue 566
ILE
Atom CA of residue 49
GLY
PRO
Atom C of residue 513
THR
LEU
Atom CB of residue 448
Atom CA of residue 321
Atom CA of residue 575
LYS
Atom O of residue 434
Atom CA of residue 532
THR
Atom CZ of residue 27
Atom CG2 of residue 56
Atom O of residue 129
Atom CB of residue 117
Atom C of residue 87
GLY
GLY
Atom C of residue 72
Atom OG of residue 126
PRO
Atom CD of residue 110
Atom CA of residue 495
Atom CA of residue 137
ASP
Atom CA of residue 576
ASP
PRO
Atom CD of residue 114
TYR
Atom NE2 of residue 11
Atom C of residue 43
LYS
Atom CA of residue 51
Atom CA of residue 492
TYR
ARG
PHE
Atom OH of residue 11
Atom N of residue 567
1tdx.pdb
LEU
Atom CA of residue 89
Atom O of residue 513
THR
Atom CB of residue 542
Atom CA of residue 227
GLY
Atom CA of residue 88
LYS
Atom CA of residue 2683
Atom CA of residue 27
Atom CA of residue 44
MET
Atom N of residue 57
Atom CA of residue 60
Atom CA of residue 452
Atom O of residue 87
Atom CA of residue 90
GLU
Atom CA of residue 56
Atom O of residue 72
Atom CZ of residue 77
Atom CE of residue 110
Atom CB of residue 102
Atom CA of residue 213
Atom CA of residue 434
ARG
Atom CA of residue 134
Atom NE of residue 114
Atom O of residue 43
Atom CA of residue 53
Atom CA of residue 397
Atom CB of residue 117
Atom CA of residue 98
VAL
Atom CA of residue 98
Atom N of residue 479
HIS
Atom CA of residue 368
Atom CA of residue 62
Atom CA of residue 117
HIS
Atom CA of residue 23
Atom CA of residue 57
Atom CG of residue 542
GLN
Atom CA of residue 2634
Atom CA of residue 86
Atom CA of residue 428
Atom CA of residue 37
Atom CG of residue 575
TYR
LEU
Atom CB of residue 4
SER
Atom CA of residue 48
Atom CA of residue 53
ALA
THR
Atom CG of residue 102
ALA
PRO
Atom CG2 of residue 70
Atom CA of residue 2690
ILE
GLN
MET
Atom C of residue 28
Atom C of residue 58
Atom CB of residue 100
Atom CA of residue 2651
GLU
SER
Atom CA of residue 22
Atom CA of residue 79
VAL
TRP
GLU
Atom CA of residue 538
PHE
Atom CG2 of residue 112
ILE
Atom CA of residue 2680
Atom CB of residue 114
Atom CB of residue 41
GLY
Atom C of residue 5
Atom CA of residue 59
Atom CB of residue 84
ASP
Atom CA of residue 138
VAL
ALA
Atom N of residue 12
Atom CA of residue 67
GLY
Atom CA of residue 2670
Atom NH1 of residue 27
ASP
Atom CA of residue 492
Atom CA of residue 70
Atom CA of residue 150
Atom N of residue 71
LYS
Atom CB of residue 9
Atom O of residue 28
LEU
Atom O of residue 58
Atom CG of residue 100
Atom CA of residue 138
Atom CA of residue 90
LEU
Atom CA of residue 28
Atom CB of residue 5
ASP
Atom CA of residue 80
Atom CB of residue 509
Atom CD1 of residue 60
LYS
Atom CA of residue 36
ALA
Atom CD1 of residue 112
Atom CA of residue 27
ASN
Atom CG of residue 114
Atom CA of residue 492
Atom CG of residue 448
Atom CA of residue 31
Atom CG1 of residue 41
VAL
Atom CA of residue 57
ASN
Atom CB of residue 434
Atom CG of residue 84
Atom CA of residue 115
Atom CB of residue 129
Atom CA of residue 435
Atom CA of residue 135
Atom NH2 of residue 27
LEU
Atom CA of residue 87
Atom CA of residue 354
HIS
GLU
LEU
Atom CA of residue 130
Atom CA of residue 118
LYS
Atom N of residue 127
Atom CA of residue 50
VAL
Atom CA of residue 463
Atom OG of residue 509
Atom CD2 of residue 60
Atom CA of residue 322
ASN
ASP
Atom CA of residue 576
GLN
Atom CA of residue 533
Atom CA of residue 38
CYS
Atom CB of residue 513
ILE
VAL
LYS
Atom CG1 of residue 434
TRP
Atom CA of residue 3
ALA
Atom CA of residue 496
Atom N of residue 130
SER
Atom CA of residue 577
Atom CB of residue 87
LEU
Atom C of residue 6
LYS
Atom CA of residue 31
Atom CB of residue 72
LEU
Atom NZ of residue 110
GLY
Atom CA of residue 493
ILE
VAL
VAL
Atom CA of residue 4
Atom CZ of residue 114
Atom CB of residue 43
Atom CA of residue 28
PRO
Fit restraint scratch map
VAL
ALA
Atom CA of residue 228
Atom CA of residue 89
LEU
ASP
LEU
Atom CA of residue 2684
Atom CA of residue 45
Atom CA of residue 139
Atom CG of residue 513
SER
Atom CA of residue 68
LEU
Atom CA of residue 91
GLU
Atom CA of residue 214
Atom CD1 of residue 542
Atom CA of residue 71
ALA
Atom OG1 of residue 87
Atom C of residue 538
ARG
Atom CA of residue 398
Atom N of residue 73
Atom CA of residue 91
Atom CA of residue 61
Atom CA of residue 99
P0
Atom CA of residue 99
ARG
Atom CA of residue 369
Atom CA of residue 63
Atom CA of residue 115
Atom CG of residue 43
PHE
Atom CA of residue 24
Atom C of residue 59
Atom CA of residue 58
Atom CA of residue 28
LEU
Atom OD1 of residue 102
ASP
Atom CA of residue 16
Atom CD of residue 448
Atom CA of residue 479
Atom CA of residue 58
Atom CA of residue 87
Atom CA of residue 429
Atom C of residue 492
GLY
Atom CA of residue 436
Atom CA of residue 2635
Atom CA of residue 136
Atom CA of residue 49
Atom O of residue 2
Atom CA of residue 54
Atom C of residue 138
GLN
Atom CD2 of residue 542
Atom CA of residue 3
Atom O of residue 538
Atom CA of residue 2691
MET
Atom CA of residue 119
Atom CA of residue 38
ALA
Atom CA of residue 2652
SER
Atom CA of residue 23
Atom CA of residue 80
Atom C of residue 31
GLN
LEU
Atom CB of residue 28
Atom O of residue 59
Atom CB of residue 58
ALA
ALA
GLN
Atom CA of residue 2681
Atom OD2 of residue 102
Atom NE of residue 448
Atom CD2 of residue 18
LEU
ILE
Atom CD of residue 100
Atom N of residue 113
ARG
Atom O of residue 492
Atom CA of residue 57
1tyq_D.pdb
ALA
Atom C of residue 87
SER
ARG
Atom CA of residue 2671
Atom O of residue 138
THR
Atom CA of residue 39
Atom C of residue 463
Atom N of residue 28
ALA
Atom CD of residue 114
Atom C of residue 3
Atom CA of residue 151
Atom CG2 of residue 41
ASN
Atom CD of residue 84
PHE
ILE
Atom O of residue 31
Atom CA of residue 81
PHE
Chain
LEU
Atom CG of residue 28
Atom CA of residue 53
Atom CG of residue 58
ILE
Atom N of residue 111
Atom CA of residue 140
THR
Atom CA of residue 493
Atom N of residue 19
Atom CA of residue 69
Atom N of residue 61
ASP
TYR
Atom NH1 of residue 114
Atom CA of residue 5
Atom C of residue 31
Atom OE1 of residue 100
LEU
Atom CA of residue 26
Atom O of residue 87
Atom CA of residue 116
Atom CA of residue 72
Atom N of residue 510
ASN
Atom CA of residue 92
Atom O of residue 463
ALA
ARG
Atom NE of residue 114
Atom CA of residue 355
ASP
GLU
Atom O of residue 4
Atom N of residue 42
GLN
Atom CA of residue 131
LEU
Atom CG2 of residue 434
Atom N of residue 85
Atom CA of residue 51
PRO
TRP
Atom CA of residue 323
Atom CA of residue 59
LEU
GLN
VAL
Atom CA of residue 577
VAL
Atom CA of residue 127
GLN
Atom CA of residue 534
python stream rigid body
Atom CA of residue 437
VAL
Atom NH2 of residue 114
LYS
Atom O of residue 31
GLU
Atom CA of residue 497
Atom CA of residue 578
ASN
ASP
Atom CA of residue 120
VAL
GLY
LYS
Atom CA of residue 494
LYS
Atom CD1 of residue 513
TYR
PRO
Atom C of residue 479
Atom CA of residue 71
Atom CA of residue 49
Atom N of residue 435
ASN
VAL
Atom CA of residue 229
Atom CA of residue 90
THR
Atom CG2 of residue 87
GLN
Atom CA of residue 2685
THR
Atom CA of residue 46
ALA
PRO
Atom CA of residue 92
GLU
Atom CD of residue 43
VAL
MET
Atom CA of residue 215
GLN
Atom CA of residue 6
Atom CA of residue 399
Atom CA of residue 62
Atom CD2 of residue 513
Atom N of residue 543
Atom CA of residue 100
Atom CA of residue 100
Atom N of residue 14
Atom O of residue 479
LEU
Atom CA of residue 370
Atom CB of residue 538
Atom CA of residue 64
LYS
Atom CA of residue 25
Atom CA of residue 59
Chain A
Atom C of residue 57
PRO
GLN
PHE
ALA
Atom CA of residue 17
normalize rigid bodies
Atom CA of residue 70
GLU
Atom N of residue 88
Atom CB of residue 59
Atom CA of residue 88
Atom CA of residue 430
Atom N of residue 103
ILE
Atom CA of residue 73
Atom CA of residue 2636
Atom CZ of residue 448
Atom N of residue 5
THR
CYS
1z5s_A.pdb
Atom OE1 of residue 43
Atom CA of residue 55
Atom CA of residue 93
LYS
Atom CB of residue 492
ILE
Atom CA of residue 2692
PHE
Atom CA of residue 39
PRO
Atom CA of residue 2653
TYR
Atom CB of residue 138
Atom CA of residue 24
ASN
Atom CA of residue 81
VAL
Atom CG of residue 538
Atom CA of residue 60
LYS
ARG
Atom NH1 of residue 147
ASN
Atom O of residue 57
Atom CA of residue 74
Atom CA of residue 2682
Atom CA of residue 438
Atom CB of residue 31
Atom CA of residue 4
Atom CG of residue 59
LEU
TRP
HIS
Atom CA of residue 2672
Atom CA of residue 121
Atom CD of residue 28
Atom CA of residue 73
Atom CD1 of residue 58
Atom OE2 of residue 100
Atom CD of residue 149
Atom CA of residue 40
VAL
Atom CG of residue 492
Atom CB of residue 87
ARG
Atom CA of residue 152
ASP
Atom C of residue 127
Atom SG of residue 138
Atom CB of residue 463
Atom CZ of residue 114
PRO
ILE
Atom CA of residue 82
SER
HIS
ASN
ASN
PRO
Atom CA of residue 113
Atom CA of residue 494
PRO
ConjugateGradients
THR
Atom CG of residue 31
Atom CA of residue 79
GLN
Atom N of residue 115
Atom CA of residue 4
LYS
CYS
PRO
Atom CA of residue 117
Atom CA of residue 130
ARG
Atom N of residue 508
Atom C of residue 71
Atom CB of residue 31
Atom N of residue 29
Atom CD2 of residue 58
Atom NH1 of residue 115
MET
Atom OG1 of residue 87
Atom CA of residue 356
GLU
ASP
Atom CA of residue 510
MET
Atom CA of residue 132
LEU
Atom O of residue 127
Atom CA of residue 111
Atom CA of residue 52
MET
Atom OG1 of residue 463
LYS
Atom CD1 of residue 135
LEU
ASP
Atom CA of residue 71
Atom CA of residue 324
Atom CA of residue 38
LYS
ILE
Atom CA of residue 578
GLY
SER
Atom CA of residue 535
Atom CA of residue 28
TYR
ARG
PHE
ASP
GLY
Atom CA of residue 94
Atom CA of residue 29
Atom CA of residue 498
Atom CA of residue 579
ASN
Atom O of residue 71
GLY
LYS
Atom CG of residue 31
LEU
SER
Atom CA of residue 495
LEU
GLY
TYR
Atom NH1 of residue 448
MapReaderWriter4
Atom CA of residue 61
Atom N of residue 514
LYS
Atom CA of residue 439
Atom CA of residue 230
Atom CA of residue 91
Atom CB of residue 479
GLU
Atom CA of residue 52
Atom CA of residue 2686
Atom CA of residue 47
Atom CA of residue 75
ASP
Atom CA of residue 93
GLU
Atom CA of residue 122
Atom CA of residue 29
Atom CA of residue 216
Atom N of residue 569
Atom CA of residue 68
ALA
Atom NE2 of residue 43
Atom CA of residue 11
Atom CA of residue 400
Atom CA of residue 63
Atom NH2 of residue 448
Atom CA of residue 101
Atom CA of residue 101
Atom CA of residue 42
ARG
Atom CA of residue 371
ALA
Atom CA of residue 65
Atom C of residue 6
Atom N of residue 101
Atom CA of residue 85
Atom CA of residue 60
PRO
THR
Atom CA of residue 148
VAL
Atom CG1 of residue 479
PRO
Atom C of residue 73
Atom CA of residue 26
Atom CA of residue 89
Atom CA of residue 431
LEU
THR
Atom CB of residue 57
Atom NH1 of residue 114
GLN
Atom CA of residue 2637
Atom CA of residue 14
Atom CD of residue 538
Atom CA of residue 56
GLY
Atom CA of residue 543
Atom CA of residue 2693
GLU
ARG
Atom CA of residue 2
Atom C of residue 62
Atom CA of residue 40
LEU
Atom CD of residue 59
Atom CA of residue 2654
Atom C of residue 113
CYS
Atom OG1 of residue 7
Atom CA of residue 25
Atom CA of residue 82
ALA
Atom CA of residue 8
Atom CA of residue 72
LEU
Atom O of residue 6
VAL
ALA
HIS
Atom CA of residue 435
LEU
Atom OD1 of residue 492
Atom CA of residue 2683
Atom CA of residue 103
Atom C of residue 130
ALA
Atom O of residue 73
Atom N of residue 139
Atom CA of residue 95
Atom CA of residue 30
Atom N of residue 58
MET
Atom NH2 of residue 114
TYR
SER
Atom C of residue 510
Atom N of residue 539
Atom CA of residue 2673
Atom CA of residue 14
Atom C of residue 111
ASP
Atom CA of residue 153
Atom OD1 of residue 31
Atom CA of residue 62
THR
Atom CE of residue 59
Atom CE1 of residue 58
Atom O of residue 113
Atom CG2 of residue 7
Atom C of residue 28
Atom CA of residue 440
ARG
GLY
Atom CA of residue 83
GLY
PRO
Atom CB of residue 127
GLY
Atom CA of residue 22
Atom OD2 of residue 492
CYS
Atom CG2 of residue 87
Atom O of residue 130
Atom CA of residue 495
PRO
Atom OE1 of residue 571
Atom CA of residue 88
GLU
Atom CA of residue 80
Atom CA of residue 123
ILE
GLN
Atom CG2 of residue 463
Atom CA of residue 118
Atom CA of residue 69
Atom O of residue 510
VAL
Atom O of residue 111
LEU
Atom CA of residue 357
LYS
ALA
Atom ND2 of residue 31
LEU
Atom CB of residue 71
Atom CA of residue 133
THR
PHE
Atom CA of residue 85
ASN
Atom O of residue 28
Atom CA of residue 325
Atom N of residue 44
Atom OD1 of residue 31
VAL
Atom CA of residue 39
Atom CA of residue 579
GLY
GLU
Atom CG of residue 127
Atom CA of residue 536
SER
Atom N of residue 88
Atom CA of residue 70
GLU
GLY
Atom N of residue 464
Atom CA of residue 499
Atom C of residue 42
SER
MET
Atom CA of residue 6
MET
ARG
PRO
Atom C of residue 85
Atom CA of residue 496
Atom O of residue 571
SER
VAL
PHE
Atom N of residue 449
Atom CA of residue 73
Atom CG of residue 71
GLU
TRP
LYS
LYS
Atom CA of residue 231
Atom C of residue 14
Atom CA of residue 92
Atom CA of residue 2687
SER
Atom CA of residue 53
THR
Atom ND2 of residue 31
Atom CA of residue 48
Atom CA of residue 96
Atom CA of residue 76
Atom C of residue 543
Atom CA of residue 94
ASP
Atom CA of residue 30
Atom CA of residue 217
LYS
Atom CG2 of residue 479
Atom O of residue 42
Atom CG of residue 117
Atom CA of residue 63
Atom CA of residue 401
Atom CA of residue 29
Atom C of residue 435
Atom O of residue 85
Atom CA of residue 64
Atom CA of residue 514
Atom C of residue 103
Atom CA of residue 449
LEU
Atom CA of residue 102
Atom CA of residue 102
Atom CA of residue 372
GLU
Atom CA of residue 66
Atom CA of residue 61
Atom CA of residue 17
PHE
ASP
SER
Atom O of residue 14
Fit restraint internal rb map
PRO
Atom O of residue 4
Atom CA of residue 124
Atom CA of residue 27
Atom CE2 of residue 58
Atom CA of residue 432
Atom CA of residue 90
Atom O of residue 543
Atom N of residue 115
GLU
Atom CA of residue 2646
Atom CA of residue 6
ALA
Atom CB of residue 73
Atom CA of residue 57
LYS
Atom N of residue 480
VAL
Atom CD of residue 117
LEU
SER
Atom CA of residue 41
CYS
Atom CA of residue 101
Atom CA of residue 2655
Atom O of residue 435
SER
Atom O of residue 103
Atom CA of residue 83
Atom CA of residue 441
ARG
Atom C of residue 88
Atom NZ of residue 59
LYS
SER
Atom CB of residue 113
TYR
ILE
Atom N of residue 8
Atom CA of residue 26
Atom CA of residue 2684
VAL
Atom CA of residue 71
Atom CB of residue 4
Atom CZ of residue 58
Atom N of residue 493
GLN
ARG
Atom CB of residue 130
Atom CA of residue 2638
Atom CA of residue 2674
LEU
Atom OG1 of residue 73
Atom CA of residue 139
ALA
Atom CA of residue 154
Atom CA of residue 74
Atom CB of residue 510
Atom CB of residue 111
ASP
HIS
Atom N of residue 32
LEU
Atom CA of residue 84
Atom O of residue 88
LYS
VAL
TRP
Atom N of residue 77
LYS
Atom CG of residue 113
Atom CA of residue 97
Atom CA of residue 23
Atom CB of residue 28
LYS
Atom CA of residue 496
GLN
Atom CA of residue 81
Chain A
LEU
ALA
ASP
Atom CA of residue 119
Atom CG of residue 130
LEU
Atom C of residue 5
Atom CA of residue 61
Atom CA of residue 64
Atom CD1 of residue 62
Atom CD of residue 127
SER
PHE
Atom CA of residue 358
PRO
ASP
ASP
Atom CG of residue 510
Atom CA of residue 134
PRO
Atom CG of residue 111
SER
ASN
SER
PRO
Atom CA of residue 125
ILE
Atom CA of residue 40
Atom CA of residue 580
LYS
VAL
Atom CA of residue 537
Atom N of residue 29
Atom CA of residue 58
Fit restraint internal rb map
Atom CA of residue 50
Atom CD1 of residue 71
Atom C of residue 4
Atom N of residue 32
Atom C of residue 29
LEU
Atom CA of residue 500
Atom C of residue 514
Atom N of residue 577
LEU
Atom C of residue 61
Atom CA of residue 539
THR
THR
PRO
Atom N of residue 128
THR
Atom CA of residue 497
TYR
ILE
Atom CA of residue 442
Atom CB of residue 42
Atom CA of residue 44
Atom CB of residue 85
LEU
Atom CA of residue 38
VAL
LEU
Atom CA of residue 232
Atom CA of residue 72
Atom CA of residue 93
Atom CA of residue 2688
Atom CA of residue 54
Atom CA of residue 49
Atom CA of residue 77
Atom O of residue 5
Atom CB of residue 14
Atom CA of residue 95
Atom CD2 of residue 71
ASP
PHE
Atom N of residue 5
PRO
Atom O of residue 29
Atom CA of residue 31
Atom N of residue 60
Atom C of residue 101
Atom O of residue 514
Atom CA of residue 218
Atom CB of residue 543
LYS
Atom CA of residue 75
Atom CA of residue 402
Atom CA of residue 572
Atom CA of residue 65
Atom CA of residue 103
Atom CA of residue 103
PHE
Atom OG of residue 42
Atom CA of residue 373
ARG
Atom CA of residue 67
PHE
Atom CG of residue 85
Atom CA of residue 54
Atom CA of residue 62
Atom CA of residue 98
GLY
Atom CB of residue 103
ALA
Atom CA of residue 28
Atom N of residue 59
Atom CA of residue 433
Atom CA of residue 91
Atom C of residue 139
Atom CA of residue 88
LEU
Atom CA of residue 449
Atom OG1 of residue 14
Atom CA of residue 65
LEU
Atom O of residue 101
Atom CA of residue 58
ALA
Atom CG of residue 543
SER
Atom CA of residue 76
PHE
Atom CA of residue 42
GLU
Atom CA of residue 2656
LEU
Atom CA of residue 84
PRO
Atom CA of residue 2639
TRP
Atom C of residue 4
LEU
Atom CA of residue 126
Atom CG2 of residue 8
SER
Atom CG2 of residue 73
MET
LEU
GLY
Atom CA of residue 27
Atom C of residue 572
Atom CA of residue 2685
Atom CG of residue 103
GLY
Atom CB of residue 88
LYS
Atom O of residue 139
LYS
LYS
HIS
Atom CA of residue 2675
TYR
Atom CD1 of residue 113
Atom CA of residue 8
LEU
Atom CA of residue 443
Atom CA of residue 155
Atom CG of residue 40
GLU
Atom CA of residue 39
Atom C of residue 58
Atom CA of residue 115
Atom CD of residue 130
THR
Atom CA of residue 73
ASP
Atom CA of residue 85
LEU
GLU
Atom N of residue 74
LYS
Atom CA of residue 24
Atom CA of residue 493
PHE
LEU
Atom OD1 of residue 510
THR
Atom C of residue 539
Atom CG of residue 88
LYS
Atom CA of residue 52
Atom CG of residue 83
Atom CD of residue 111
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom CA of residue 120
Model 34
Atom CA of residue 76
Atom C of residue 44
Atom CD2 of residue 113
Atom CA of residue 496
ARG
Atom CA of residue 359
ARG
Atom CA of residue 480
Atom CA of residue 32
Atom O of residue 61
Atom CA of residue 135
GLU
Atom N of residue 9
PHE
ARG
LEU
Atom CA of residue 99
Atom O of residue 58
Atom OE1 of residue 130
Atom CA of residue 498
Atom CG of residue 40
GLY
Atom CA of residue 41
Atom CA of residue 581
GLU
TYR
Atom CA of residue 538
Atom CA of residue 51
Atom ND2 of residue 510
Atom O of residue 539
Atom CA of residue 66
PHE
Atom OE1 of residue 111
Atom CA of residue 501
PRO
Atom N of residue 72
MET
THR
Atom O of residue 44
Atom CB of residue 29
THR
MET
Atom CA of residue 498
Atom CB of residue 514
GLU
LEU
PRO
THR
Atom CB of residue 61
Atom NZ of residue 118
Atom CA of residue 127
GLU
Atom CA of residue 20
ILE
Atom C of residue 88
ASN
Atom CA of residue 233
Atom C of residue 449
Atom CA of residue 94
Atom CA of residue 2689
Atom CA of residue 55
Atom CA of residue 32
THR
Model 23
Atom CA of residue 78
Atom CB of residue 9
Atom N of residue 43
TYR
Atom CA of residue 96
Atom CA of residue 236
GLU
Atom OD1 of residue 85
Atom CA of residue 219
Atom CA of residue 444
ALA
PHE
ALA
Atom CA of residue 403
Atom OG1 of residue 29
Atom CB of residue 101
GLU
Atom CA of residue 40
Atom OG1 of residue 514
Atom CA of residue 104
Atom CG2 of residue 14
Atom CA of residue 374
LEU
Atom CA of residue 77
Atom CA of residue 55
Atom CA of residue 63
PHE
Atom CA of residue 29
LYS
Atom O of residue 88
Atom OD1 of residue 543
Atom O of residue 449
ASP
THR
PRO
Atom CA of residue 37
Atom CA of residue 60
Atom CA of residue 434
Atom ND1 of residue 83
Atom CA of residue 92
Atom C of residue 8
LEU
GLN
Atom CA of residue 77
Atom ND2 of residue 85
Atom CA of residue 59
Atom CB of residue 139
Atom CD1 of residue 103
PHE
Atom C of residue 115
ASN
LYS
Atom CA of residue 43
ALA
Atom CZ of residue 77
Atom CA of residue 2657
Atom N of residue 102
Atom CA of residue 128
Atom CA of residue 100
Atom C of residue 493
Atom CA of residue 85
MET
Atom CA of residue 2640
Atom N of residue 15
ARG
THR
LEU
PRO
Atom CA of residue 28
Atom CA of residue 2686
Atom ND2 of residue 543
ASN
Atom CA of residue 68
Model 41
Atom CA of residue 29
ALA
Atom CD2 of residue 83
ALA
LEU
GLU
Atom C of residue 480
Atom C of residue 32
Atom CA of residue 2676
Atom CG of residue 139
Atom C of residue 464
ASN
MET
Atom CD2 of residue 103
Atom O of residue 115
Atom CA of residue 156
Atom OD1 of residue 88
Atom CA of residue 128
VAL
Atom CA of residue 59
Atom N of residue 114
Atom O of residue 493
Atom CA of residue 68
ASN
ILE
Atom CA of residue 86
AccumulateRigidBodyDerivatives19
TYR
Atom CA of residue 69
TYR
GLY
Atom C of residue 9
Atom CA of residue 25
Atom CB of residue 58
GLU
Atom NE2 of residue 130
P1
SER
GLY
Atom CA of residue 53
GLN
Atom CA of residue 121
Atom CA of residue 445
Atom O of residue 480
Atom O of residue 32
Atom N of residue 511
Atom CB of residue 539
Atom NE2 of residue 111
ASP
Atom O of residue 464
Atom CA of residue 41
Atom CA of residue 360
Atom CA of residue 41
TRP
ARG
Atom OD2 of residue 88
Atom CA of residue 136
Atom C of residue 32
Atom CB of residue 44
Atom CA of residue 52
LEU
GLN
ARG
1z5s_C_wrong.pdb
Atom O of residue 8
Atom CA of residue 499
TYR
Atom CG of residue 61
Atom CA of residue 69
Atom O of residue 9
Atom CA of residue 42
Atom CA of residue 582
ALA
GLN
Atom CA of residue 539
Atom OG of residue 58
Atom CA of residue 514
ARG
Atom CA of residue 78
Atom C of residue 117
LYS
Atom CA of residue 502
THR
Atom CA of residue 277
Atom CG of residue 539
TYR
HIS
PHE
Atom NH2 of residue 147
Atom CA of residue 101
Atom C of residue 29
Atom CA of residue 499
TYR
PRO
VAL
PRO
Atom O of residue 32
Atom OG1 of residue 44
Atom CA of residue 33
Atom C of residue 60
Chain C
Atom CA of residue 13
GLY
GLY
Atom CA of residue 234
Atom CA of residue 69
Atom CA of residue 95
Atom CA of residue 56
Atom CB of residue 6
Atom CA of residue 2690
Atom CG2 of residue 29
Atom CA of residue 74
Atom CA of residue 79
Atom CG2 of residue 514
Atom CB of residue 88
LYS
Atom CB of residue 449
Atom CA of residue 72
Atom CA of residue 97
ARG
ASP
Atom C of residue 128
TRP
Atom CA of residue 220
ALA
Atom CA of residue 43
TYR
Atom CA of residue 129
Atom CA of residue 404
Atom N of residue 86
Atom O of residue 29
Atom CA of residue 69
Atom CG1 of residue 4
Atom CA of residue 105
Atom CA of residue 375
LEU
Atom CA of residue 78
PRO
Atom O of residue 60
Atom CA of residue 64
Atom CA of residue 56
ALA
ILE
GLY
TRP
Atom N of residue 30
Atom CA of residue 435
Atom CA of residue 93
ASP
Atom CB of residue 8
Atom N of residue 515
Atom CG of residue 88
Atom N of residue 544
ASN
Atom CA of residue 446
Atom CG of residue 449
Atom C of residue 59
Atom CE1 of residue 83
Atom CA of residue 60
Atom O of residue 128
LYS
Atom CA of residue 42
python stream
ARG
Atom N of residue 131
TRP
Atom CA of residue 278
VAL
ILE
Atom CA of residue 44
Atom CA of residue 30
Atom CA of residue 2658
VAL
PRO
Atom NE1 of residue 103
Atom CB of residue 115
Atom CA of residue 86
GLN
Atom CA of residue 2641
GLU
Atom CD of residue 61
Atom CA of residue 70
Atom CG of residue 6
THR
GLN
Atom N of residue 112
Atom CD of residue 139
Atom CA of residue 433
LEU
Atom CA of residue 37
Atom CB of residue 493
Atom CA of residue 130
Atom CA of residue 2687
THR
Atom CA of residue 79
Atom CA of residue 132
Atom OG1 of residue 8
PHE
HIS
Atom CA of residue 2677
PHE
Atom N of residue 2
Atom O of residue 59
Atom CA of residue 102
Atom CB of residue 464
Chain B
GLN
ALA
Atom CA of residue 157
Atom CB of residue 480
Atom CB of residue 32
ARG
Atom CG of residue 115
ALA
ASN
Atom NE of residue 61
Atom CA of residue 87
Atom N of residue 89
GLY
LEU
ILE
Atom OE1 of residue 139
Atom CA of residue 29
Atom N of residue 494
PRO
LEU
Atom CG of residue 571
GLY
Atom CA of residue 54
GLU
Atom CA of residue 122
GLN
Atom CA of residue 130
Atom CA of residue 102
Atom CA of residue 114
Atom OG of residue 464
GLU
Atom N of residue 59
Atom CA of residue 361
Atom CA of residue 42
Atom CG2 of residue 4
GLU
VAL
Atom CG of residue 480
Atom CG of residue 32
LYS
Atom CA of residue 137
SER
Atom OD1 of residue 6
Atom C of residue 74
Atom CA of residue 53
PHE
GLY
GLN
Atom CA of residue 500
Atom CA of residue 15
HIS
Atom C of residue 72
Atom CD1 of residue 539
ILE
Atom CB of residue 32
LYS
Atom CA of residue 43
LEU
GLU
Atom CA of residue 583
Atom CA of residue 540
GLN
Atom CA of residue 515
Atom CA of residue 447
Atom CA of residue 511
Atom C of residue 43
Atom CG2 of residue 44
LEU
ASP
Atom CA of residue 43
Atom CA of residue 503
Atom CA of residue 279
ILE
LEU
ASP
PHE
Atom CA of residue 21
Atom CA of residue 500
ASP
SER
ASN
THR
Atom CA of residue 71
Atom CA of residue 5
Atom O of residue 74
Atom NE2 of residue 83
Atom CA of residue 26
Atom CB of residue 29
Atom CA of residue 131
LYS
Atom CA of residue 235
Atom CA of residue 96
Atom CA of residue 80
Atom CD2 of residue 539
Atom O of residue 72
Atom CA of residue 57
Atom CA of residue 2691
Atom CG of residue 32
Atom CB of residue 60
Atom CA of residue 80
Atom CE2 of residue 103
Atom O of residue 43
Atom CA of residue 432
PHE
GLN
Atom N of residue 45
LYS
Atom CG2 of residue 148
Atom CA of residue 103
ARG
Atom CA of residue 221
PRO
Atom CA of residue 133
Atom CA of residue 405
Atom CB of residue 128
Atom OD1 of residue 88
Atom CD1 of residue 449
Atom CA of residue 106
Atom CA of residue 50
Atom CA of residue 376
THR
Atom CA of residue 79
Atom CG of residue 4
Atom N of residue 84
Atom CA of residue 65
Atom CA of residue 57
python stream rigid body
Atom CG of residue 29
Atom OG of residue 568
Atom O of residue 149
LEU
GLU
Atom CG of residue 60
Atom CA of residue 436
Atom CA of residue 94
CYS
Atom CE3 of residue 103
GLU
Atom CD1 of residue 4
GLN
Atom CA of residue 131
Atom CA of residue 47
Atom CA of residue 86
Atom CA of residue 61
Atom CG2 of residue 8
ASN
GLU
P2
PRO
SER
VAL
Atom CA of residue 45
Atom CA of residue 31
Atom CB of residue 59
Atom CA of residue 2659
Atom CG of residue 128
TRP
ALA
Atom OD2 of residue 88
Atom CA of residue 87
LYS
Atom CA of residue 2642
Atom CD2 of residue 449
GLU
GLU
HIS
THR
MET
Atom CA of residue 20
Atom CA of residue 2688
Atom CA of residue 544
ARG
Atom CA of residue 448
Atom CZ of residue 61
Atom C of residue 102
Atom C of residue 114
Atom NE2 of residue 139
TRP
Atom CA of residue 44
ASN
Atom CD of residue 115
Atom CA of residue 131
Atom CA of residue 280
PRO
Atom CA of residue 2678
Atom N of residue 9
Atom CA of residue 30
VAL
LYS
Atom C of residue 15
Atom CG of residue 116
Atom CA of residue 72
Atom CG of residue 59
Atom CA of residue 112
Atom CA of residue 132
SER
LYS
Atom CA of residue 81
Atom C of residue 511
Atom CA of residue 88
LEU
ASP
Atom N of residue 465
PRO
Atom CD1 of residue 480
Atom CD of residue 32
Atom CA of residue 149
Chain C
PHE
Atom CA of residue 55
Atom CA of residue 30
Atom O of residue 102
Atom O of residue 114
Atom CD of residue 146
Atom CA of residue 104
Atom CA of residue 515
Atom NE of residue 115
Atom CA of residue 123
PRO
Atom CA of residue 134
ARG
Atom CA of residue 313
Atom CA of residue 362
HIS
GLY
Atom O of residue 15
HIS
Atom CA of residue 89
Atom CA of residue 138
Atom CD1 of residue 4
Atom CA of residue 54
LEU
VAL
Atom CA of residue 59
ARG
Atom CA of residue 501
Atom O of residue 511
Atom CA of residue 44
Atom CB of residue 74
ALA
GLN
Atom CA of residue 584
Atom CA of residue 541
P2
ASP
ALA
Atom CA of residue 516
Atom CD2 of residue 480
Atom N of residue 33
PRO
Atom N of residue 540
Atom CB of residue 72
Atom CA of residue 132
ARG
LYS
Atom CA of residue 504
Atom CB of residue 43
PRO
Atom CD of residue 32
VAL
LYS
SER
CYS
GLY
Atom CA of residue 501
GLU
ALA
PRO
ALA
ALA
Atom CB of residue 5
PRO
GLU
Atom CA of residue 494
LEU
Atom CA of residue 465
Atom CA of residue 236
Atom CA of residue 97
Atom CA of residue 58
Atom CA of residue 2692
Atom CA of residue 34
Atom N of residue 75
Atom C of residue 86
ARG
Atom CA of residue 45
Atom CA of residue 81
Atom CZ2 of residue 103
Atom CA of residue 281
MET
ALA
Atom N of residue 73
GLY
GLU
Atom CD of residue 29
ASP
Atom CA of residue 222
Atom CA of residue 29
Atom NH1 of residue 61
Atom CG of residue 43
Atom CA of residue 73
Atom CA of residue 406
Atom N of residue 33
Atom CD1 of residue 60
Atom N of residue 140
Atom CA of residue 133
Atom C of residue 544
Atom CA of residue 107
Atom CA of residue 51
Atom CA of residue 82
Atom CA of residue 377
ASP
Atom CA of residue 80
Atom CG1 of residue 5
Atom CA of residue 66
Atom CA of residue 58
Atom N of residue 89
Atom C of residue 131
ASP
Atom N of residue 450
Model 17
GLN
GLY
Atom CA of residue 95
Atom O of residue 86
Atom CD1 of residue 128
Atom CA of residue 105
Atom CA of residue 27
Atom CZ3 of residue 103
PRO
Atom CA of residue 135
ALA
Atom CA of residue 62
Atom C of residue 112
Atom NE of residue 29
GLU
ALA
Atom NH2 of residue 61
GLY
ALA
Atom CA of residue 46
Atom CD2 of residue 60
Atom CA of residue 32
Atom CA of residue 2660
GLU
ASN
Atom O of residue 544
Atom CA of residue 88
ALA
Atom CA of residue 2643
PHE
Atom C of residue 30
LEU
Atom CZ of residue 149
LEU
ALA
ILE
Atom C of residue 515
ILE
Atom CA of residue 2689
LEU
Atom O of residue 131
GLY
Atom CA of residue 12
ALA
PRO
Atom CA of residue 133
Atom CD of residue 59
Atom CD2 of residue 128
SER
Atom C of residue 89
PRO
Atom CA of residue 2679
Model 19
Atom CD2 of residue 4
Atom CA of residue 45
Atom CB of residue 102
Atom O of residue 112
Atom CB of residue 114
Atom CA of residue 31
ALA
Atom C of residue 59
Chain D
ALA
Atom CZ of residue 115
DensityMap18
THR
Atom CA of residue 433
Atom O of residue 3
Atom CG2 of residue 135
LEU
ALA
VAL
Atom CB of residue 15
Atom CA of residue 89
PHE
GLY
Atom CA of residue 3
Atom O of residue 30
ILE
Atom CA of residue 33
PRO
Atom CA of residue 46
LEU
Atom O of residue 515
Atom CB of residue 511
Atom CA of residue 282
LEU
Atom CA of residue 56
Atom CE of residue 59
Atom CA of residue 465
Atom CA of residue 124
THR
Atom CE1 of residue 480
ASP
DensityMap1
Atom O of residue 89
Atom CA of residue 74
Atom CA of residue 84
Atom CG of residue 102
Atom CG of residue 114
Atom C of residue 494
Atom O of residue 59
Atom CA of residue 134
Atom CG of residue 135
Atom CA of residue 363
VAL
ASN
Atom CA of residue 83
ARG
Atom CA of residue 139
Atom CA of residue 55
PHE
PRO
Atom N of residue 136
Atom CA of residue 450
Atom CA of residue 2
Atom CA of residue 502
Atom CG1 of residue 15
Atom CA of residue 569
GLU
Atom CA of residue 45
THR
Atom CA of residue 585
Atom CA of residue 542
Atom CA of residue 106
Atom CA of residue 518
Atom OG1 of residue 511
Atom CA of residue 136
MET
Atom CA of residue 9
VAL
Atom CA of residue 505
LYS
VAL
SER
TYR
Atom O of residue 494
Atom CA of residue 502
GLY
GLU
GLU
THR
ASP
PRO
TYR
TYR
ALA
Atom CA of residue 237
Atom CA of residue 98
Atom CD of residue 43
GLU
Atom CA of residue 540
Atom CA of residue 134
Atom CA of residue 59
Atom CA of residue 2693
Atom CA of residue 35
Atom C of residue 149
Atom CA of residue 82
VAL
Atom CA of residue 41
LYS
THR
Atom CB of residue 86
SER
TYR
Atom CH2 of residue 103
Atom CA of residue 223
Atom CA of residue 30
PHE
Atom N of residue 62
Atom CA of residue 408
Atom CA of residue 276
Atom CZ of residue 29
GLY
Atom SG of residue 573
Atom C of residue 8
Atom CA of residue 108
Atom CA of residue 378
ILE
Atom CA of residue 81
ASP
Atom O of residue 18
Atom N of residue 61
Atom CA of residue 67
Atom CA of residue 59
ALA
Atom CA of residue 47
Atom CA of residue 22
Atom CB of residue 544
Atom NH1 of residue 115
Atom OE1 of residue 43
Atom CA of residue 283
ASP
Atom C of residue 45
GLY
ILE
Atom CA of residue 96
ASN
Atom CB of residue 131
Atom CA of residue 33
Atom CA of residue 75
Atom CA of residue 66
Atom CG1 of residue 86
Atom CA of residue 63
Atom CE1 of residue 128
Atom CA of residue 140
Atom CA of residue 28
Atom CA of residue 135
Atom N of residue 104
ILE
Atom CA of residue 84
MET
LEU
Atom C of residue 6
VAL
Atom CA of residue 47
Atom CA of residue 33
Atom CA of residue 2661
Atom CB of residue 112
GLY
LYS
Atom CA of residue 89
Atom CA of residue 89
Atom CA of residue 451
PHE
Atom CA of residue 2644
Atom CA of residue 450
Atom CE2 of residue 480
GLY
Atom CA of residue 4
GLU
LYS
Atom CA of residue 75
TYR
LEU
Atom CA of residue 107
Atom C of residue 465
Atom CA of residue 2690
Atom CG of residue 544
Atom NH2 of residue 115
Atom CA of residue 73
Atom CA of residue 135
Atom O of residue 45
Atom CB of residue 30
Atom C of residue 84
SER
Atom CB of residue 515
Atom N of residue 132
Atom CA of residue 2680
Atom O of residue 12
Atom NZ of residue 59
ASP
Atom CA of residue 32
PHE
Atom O of residue 8
Atom CB of residue 89
Atom CA of residue 33
Atom CA of residue 23
Atom CG1 of residue 112
GLY
ILE
Atom CB of residue 59
ARG
Atom CZ of residue 480
HIS
Atom CA of residue 90
SER
Atom CA of residue 434
Atom CA of residue 135
LYS
SER
Atom OD1 of residue 102
Atom CD1 of residue 114
ILE
Atom C of residue 9
Atom O of residue 465
PHE
UpdateRigidBodyMembers10
TRP
CYS
Atom CA of residue 57
Atom CG of residue 30
Atom O of residue 84
Atom CG of residue 515
THR
Atom CA of residue 125
LYS
Atom CG2 of residue 15
ALA
python stream
Atom N of residue 77
Model 14
Atom CA of residue 519
Atom CA of residue 364
PRO
MET
Atom CG2 of residue 511
Atom C of residue 540
LEU
Atom CG1 of residue 89
Atom CA of residue 111
MET
Atom CA of residue 56
GLU
MET
ILE
LYS
Atom CB of residue 494
Atom CG of residue 59
AccumulateRigidBodyDerivatives10
Atom CA of residue 3
Atom CA of residue 503
Atom CA of residue 284
THR
Atom CA of residue 5
Atom CA of residue 46
GLY
Atom OD2 of residue 102
Atom CA of residue 586
Atom CD2 of residue 114
Atom CA of residue 543
Atom NH1 of residue 29
Atom CA of residue 76
LEU
python stream rigid body rigid body positions
Atom CA of residue 506
Atom CA of residue 136
Atom CD1 of residue 15
Atom CA of residue 85
Chain A
LEU
GLU
LYS
Atom CA of residue 16
Atom CA of residue 503
VAL
SER
Atom CA of residue 452
GLN
Atom N of residue 512
LEU
Atom O of residue 540
HIS
GLY
python stream rigid body rigid body positions
Atom CA of residue 43
Atom CE2 of residue 128
Atom CA of residue 108
Atom CA of residue 31
Atom CG1 of residue 494
LEU
SER
Atom CA of residue 238
Atom CB of residue 8
Atom C of residue 33
Atom CA of residue 99
Atom CA of residue 136
Atom CA of residue 60
Atom CB of residue 9
Atom C of residue 140
Atom NH2 of residue 29
Atom CA of residue 83
Atom CA of residue 42
Atom CE2 of residue 77
Atom NE2 of residue 43
ALA
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.mrc
SER
Atom C of residue 89
Atom CA of residue 224
Atom CA of residue 31
Atom C of residue 450
Atom CA of residue 409
ASP
Atom C of residue 75
Atom CA of residue 277
Atom O of residue 9
ARG
Atom CA of residue 109
Atom CA of residue 379
ILE
SER
Atom CA of residue 82
VAL
Atom C of residue 73
Atom CA of residue 268
Atom CA of residue 136
Atom N of residue 3
Atom N of residue 60
Atom CG2 of residue 86
Atom CZ of residue 128
Atom CA of residue 68
Atom CA of residue 60
Atom CA of residue 136
ASN
Atom N of residue 116
Atom O of residue 33
LYS
LEU
Atom N of residue 508
Atom CA of residue 97
Atom O of residue 140
ILE
SER
ILE
ASP
Atom CB of residue 62
Atom C of residue 33
Atom CB of residue 45
Atom CA of residue 64
Atom O of residue 89
THR
Atom ND1 of residue 544
HIS
LYS
Atom O of residue 450
LEU
Atom CA of residue 48
Atom O of residue 75
Atom CA of residue 34
GLY
ILE
THR
TRP
GLU
Atom CA of residue 90
ASN
Atom CA of residue 2645
Atom N of residue 481
VAL
Atom CA of residue 5
Atom CA of residue 285
Atom O of residue 73
ILE
LYS
LEU
LYS
Atom N of residue 87
ASN
Atom CA of residue 32
Atom CA of residue 2691
LEU
Atom CA of residue 62
Atom CA of residue 77
ASN
Atom CG2 of residue 112
Atom CB of residue 465
SER
Atom CA of residue 137
Atom CA of residue 86
Fit restraint internal rb map
Atom CA of residue 2681
Atom O of residue 33
Atom CG1 of residue 45
Atom CB of residue 84
TRP
Atom CA of residue 33
ASN
Atom CD2 of residue 544
Atom CA of residue 453
LYS
Atom CD of residue 30
Atom CA of residue 40
CYS
Atom CA of residue 109
Atom CD of residue 515
Atom O of residue 150
ASP
LYS
ASP
Atom CA of residue 91
Atom CA of residue 435
Atom CA of residue 137
LEU
Atom C of residue 2
Atom CB of residue 9
HIS
GLU
Atom CG2 of residue 89
SER
Atom CA of residue 58
Atom N of residue 103
Atom CD1 of residue 112
Atom N of residue 115
Atom CG of residue 465
Atom OD1 of residue 59
Atom CA of residue 126
ASN
Atom CB of residue 8
Atom CG of residue 84
Atom CA of residue 104
Atom CA of residue 520
Atom CA of residue 365
SER
Atom N of residue 16
Atom N of residue 44
ALA
ALA
Atom CA of residue 137
Atom CE of residue 30
Atom CA of residue 57
GLY
ASN
PRO
Atom NE of residue 515
Atom CA of residue 2630
Atom CA of residue 4
Atom CA of residue 504
Atom NE of residue 13
PHE
Atom CB of residue 540
PHE
Atom CA of residue 47
GLY
Atom CA of residue 587
Atom CA of residue 544
Atom CG of residue 9
Atom N of residue 30
TYR
Atom CA of residue 132
PRO
Atom CD1 of residue 89
ARG
PHE
GLY
Atom CG2 of residue 494
Atom OD2 of residue 59
Atom CA of residue 507
SER
Atom OG1 of residue 8
LYS
ILE
Atom C of residue 136
ILE
Atom CA of residue 17
Atom CA of residue 504
ASP
GLY
LYS
TYR
GLU
THR
Atom CA of residue 286
TYR
Atom OG of residue 7
Atom CA of residue 44
Atom N of residue 129
Atom CA of residue 33
ASP
SER
Atom CA of residue 239
PRO
Atom CA of residue 100
Atom CG of residue 540
Atom CA of residue 78
Atom CA of residue 489
Atom CA of residue 61
NullModifier7
ILE
Atom CA of residue 84
Atom CA of residue 138
Atom CB of residue 33
Atom CA of residue 87
VAL
Atom CD2 of residue 77
Atom CB of residue 140
GLU
Atom N of residue 495
Atom CA of residue 104
Atom CA of residue 225
Atom CA of residue 454
Atom CA of residue 32
Atom CA of residue 112
GLU
Atom O of residue 5
ARG
Atom CA of residue 278
Atom O of residue 136
Atom CA of residue 110
Atom CB of residue 89
Atom N of residue 451
Atom CA of residue 110
Atom CA of residue 380
Atom C of residue 62
GLY
Atom CA of residue 83
SER
Atom CA of residue 138
Atom OE1 of residue 571
Atom CB of residue 75
GLY
Atom CA of residue 69
Atom CA of residue 61
NormalizeRotation7
Atom CA of residue 48
Atom CB of residue 73
PHE
TYR
ARG
GLN
Atom CG of residue 33
Atom CA of residue 65
Atom CG of residue 140
ARG
PRO
MET
Atom CZ of residue 13
HIS
Atom CA of residue 138
Atom CB of residue 33
Atom CA of residue 49
Atom CA of residue 35
Atom CA of residue 60
LEU
ALA
LEU
Atom CG1 of residue 89
Atom CE1 of residue 544
Atom CA of residue 91
SER
Atom CA of residue 2662
PRO
Atom CA of residue 512
TYR
Atom O of residue 62
Atom CA of residue 6
GLU
Atom CG2 of residue 45
LEU
Atom CG1 of residue 75
VAL
HIS
CYS
Atom CA of residue 2692
Atom CA of residue 29
MET
Atom OG1 of residue 73
PHE
SER
Atom CB of residue 576
Atom CA of residue 2682
Atom N of residue 7
Atom N of residue 113
LYS
ASP
Atom CA of residue 34
SER
Atom CA of residue 116
Atom CA of residue 287
CYS
Atom N of residue 8
Atom CG of residue 33
ALA
ALA
Atom OD1 of residue 465
LYS
Atom CB of residue 568
Atom C of residue 132
ASN
ASN
GLU
Atom CA of residue 92
Atom CA of residue 436
Atom CA of residue 269
Atom CA of residue 79
ARG
Atom N of residue 46
Atom NZ of residue 30
Atom CD of residue 84
LYS
Atom CA of residue 2
PRO
Atom CZ of residue 515
Atom CA of residue 139
Atom CA of residue 88
Atom N of residue 63
ALA
Atom CA of residue 59
Atom CG of residue 117
Atom CD of residue 9
Atom CA of residue 127
Atom CA of residue 455
PRO
Atom CA of residue 481
Atom O of residue 18
Atom N of residue 90
GLY
THR
LEU
Atom CA of residue 111
Atom CA of residue 105
Atom N of residue 60
Atom CA of residue 521
Atom CA of residue 366
Atom CD of residue 8
ASP
GLU
Atom CA of residue 139
Atom CA of residue 137
Atom CA of residue 2663
Atom CA of residue 58
GLN
SER
Atom OD2 of residue 465
Atom CA of residue 49
Atom CA of residue 2631
Atom O of residue 132
Atom CA of residue 5
Atom CA of residue 505
Atom OD1 of residue 40
Atom CA of residue 48
Atom N of residue 85
Atom CA of residue 103
Atom CA of residue 2629
Atom CA of residue 87
Atom CA of residue 115
Atom CA of residue 545
Atom C of residue 571
Atom C of residue 104
Atom CD of residue 117
Atom OE1 of residue 9
Atom CA of residue 508
Atom CA of residue 16
Atom CA of residue 44
TYR
Atom SD of residue 540
ILE
Atom CA of residue 139
GLU
HIS
ASP
Atom CA of residue 505
ARG
ARG
TYR
TYR
PRO
Atom CG of residue 9
Atom CA of residue 45
Atom CB of residue 136
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.em
GLN
GLY
LEU
Atom CA of residue 240
THR
Atom CA of residue 101
VAL
VAL
Atom CA of residue 62
Atom CA of residue 85
Atom O of residue 104
Atom NE2 of residue 544
VAL
ILE
LYS
Atom CA of residue 490
Atom C of residue 60
GLN
ILE
Atom CA of residue 226
Atom CA of residue 33
Atom CA of residue 451
Atom C of residue 512
Atom CA of residue 288
Atom CE of residue 540
GLN
Atom CA of residue 279
python stream rigid body
LYS
Atom CA of residue 30
ALA
Atom CA of residue 111
Atom OD1 of residue 33
Atom CA of residue 381
LEU
Atom CA of residue 84
THR
Atom CA of residue 80
Atom CB of residue 7
Atom CA of residue 70
Atom OD1 of residue 140
Atom CA of residue 62
Atom CG1 of residue 136
Atom CA of residue 140
Atom NE of residue 8
Atom CA of residue 89
Atom CB of residue 62
Atom CA of residue 22
LYS
GLU
Atom CA of residue 61
Atom CG2 of residue 89
Atom N of residue 545
Atom C of residue 116
ASP
Atom CA of residue 456
Atom CA of residue 270
GLU
ALA
Atom N of residue 31
Atom CG2 of residue 75
Atom O of residue 60
Atom CA of residue 129
Atom CA of residue 112
PRO
Atom NH1 of residue 515
ARG
GLY
Atom CA of residue 582
Atom O of residue 512
Atom CG2 of residue 73
Atom CA of residue 140
Atom CA of residue 50
Atom CA of residue 36
ARG
LYS
PHE
GLU
PRO
Atom CA of residue 52
Atom CA of residue 92
SER
Atom OD2 of residue 33
ALA
LYS
Chain D
Atom ND2 of residue 140
MET
Atom CA of residue 2693
Atom CA of residue 30
Atom C of residue 481
Atom CG of residue 62
Atom CA of residue 7
Atom OD1 of residue 33
ALA
Atom C of residue 61
Atom NH1 of residue 147
ASN
Atom CD1 of residue 89
Atom O of residue 116
LEU
ALA
Atom CA of residue 2683
Atom CA of residue 140
Atom N of residue 76
rigid bodies list
Atom CA of residue 35
Atom CA of residue 495
SER
Atom NH2 of residue 515
Atom N of residue 74
PRO
ILE
Atom C of residue 103
Atom C of residue 87
Atom C of residue 115
Atom CA of residue 70
ASN
THR
Atom CA of residue 2647
ALA
ASP
Atom CA of residue 93
Atom CA of residue 437
MET
ALA
Atom N of residue 466
ASN
Atom CB of residue 132
Atom O of residue 481
Atom C of residue 16
Atom C of residue 44
ASP
VAL
Atom OD2 of residue 33
Atom CA of residue 60
ASN
Atom CA of residue 113
ILE
Atom CA of residue 128
Atom CA of residue 66
Atom CA of residue 289
ASN
Atom CA of residue 67
Atom OE2 of residue 9
PRO
Atom CA of residue 106
Atom CA of residue 522
Atom CA of residue 367
Atom OE1 of residue 11
GLU
ARG
Atom CA of residue 81
Atom CG2 of residue 5
Atom CA of residue 2
Atom O of residue 103
Atom CA of residue 2664
Atom O of residue 87
Atom CA of residue 59
Atom O of residue 115
ARG
LEU
python stream
Atom CA of residue 506
Atom CA of residue 159
ILE
Atom CA of residue 80
Atom CA of residue 49
SER
Atom CA of residue 546
PRO
Atom CG of residue 132
Atom CA of residue 6
Atom C of residue 451
Atom O of residue 16
Atom O of residue 44
Atom CA of residue 90
Atom CA of residue 271
ASN
Atom CA of residue 113
Atom C of residue 30
Atom CA of residue 60
Atom CA of residue 509
Atom CA of residue 74
Atom CB of residue 104
GLN
Atom CA of residue 76
Atom N of residue 4
SER
PHE
SER
Atom CA of residue 53
Atom CA of residue 506
GLY
ASN
Atom N of residue 541
Atom CA of residue 46
SER
Atom CA of residue 241
LYS
Atom CA of residue 102
ASN
Atom CA of residue 63
Atom CA of residue 46
Atom C of residue 129
Atom CA of residue 86
MET
ASP
ASP
Atom O of residue 451
LYS
LYS
Atom CA of residue 491
Atom CA of residue 141
Atom CG2 of residue 136
Atom O of residue 30
HIS
Atom CG of residue 104
Atom CA of residue 227
LEU
Atom N of residue 6
ILE
Atom CB of residue 60
Atom CA of residue 280
Atom CA of residue 71
Atom CA of residue 457
LEU
Atom CA of residue 112
TRP
Atom CB of residue 512
Atom CA of residue 382
ASP
ALA
Atom CA of residue 85
LYS
ASP
Atom CA of residue 71
Atom CA of residue 63
Atom CA of residue 5
Atom N of residue 34
Atom CA of residue 23
PHE
VAL
Atom CA of residue 18
LEU
Atom CA of residue 85
Atom O of residue 129
Atom N of residue 141
LEU
Atom C of residue 495
PRO
Atom NE2 of residue 11
Atom CA of residue 290
Atom O of residue 61
Atom CD1 of residue 136
TRP
ALA
Atom N of residue 516
Atom N of residue 90
ASN
LEU
Atom CB of residue 116
Atom CA of residue 583
Atom SD of residue 62
Atom CA of residue 82
ASP
Atom CA of residue 51
MET
Atom CA of residue 53
Atom CG of residue 60
PRO
Atom CA of residue 2630
LYS
LEU
Atom CA of residue 93
SER
Atom CA of residue 160
Atom CG of residue 512
VAL
ALA
Atom CA of residue 81
GLU
Atom C of residue 113
VAL
Atom N of residue 10
Atom CA of residue 31
GLY
Atom CA of residue 8
Atom CA of residue 272
ARG
Atom CA of residue 11
ARG
Atom CA of residue 114
Atom O of residue 495
SER
LYS
Chain D
Atom CA of residue 43
Atom CB of residue 481
MET
Atom CA of residue 2684
Atom N of residue 34
Atom CB of residue 117
Atom CB of residue 61
SER
Atom CA of residue 54
Atom CA of residue 36
SER
LEU
ILE
Atom CG of residue 116
THR
Atom CE of residue 62
Atom CA of residue 7
GLN
PRO
Atom CA of residue 130
Atom C of residue 573
ILE
Atom CA of residue 2648
ASP
Atom CA of residue 94
Atom C of residue 90
LEU
Atom CB of residue 103
Atom CB of residue 87
Atom O of residue 113
Atom N of residue 116
MET
Atom C of residue 60
VAL
ALA
Atom CA of residue 438
GLN
Atom CA of residue 142
GLY
Atom CA of residue 61
Atom CA of residue 129
Atom CG of residue 481
Atom CB of residue 16
Atom CB of residue 44
PHE
GLY
Atom CA of residue 7
Atom CA of residue 72
Atom CA of residue 107
Atom CA of residue 75
Atom CA of residue 523
Atom CD of residue 132
Atom CA of residue 368
ILE
VAL
THR
LEU
Atom CA of residue 77
Atom C of residue 7
Atom C of residue 46
Atom CA of residue 2665
Atom CA of residue 60
ILE
ARG
Atom CA of residue 466
Atom CA of residue 545
Atom CA of residue 507
Atom CA of residue 453
LYS
Atom O of residue 90
GLY
Atom CA of residue 50
Atom CG of residue 103
Atom CG of residue 87
ILE
Atom CA of residue 547
LEU
Atom O of residue 60
Atom CA of residue 7
Atom CA of residue 291
GLU
Atom CA of residue 510
Atom CB of residue 451
Atom O of residue 9
Atom CG of residue 16
Atom OG1 of residue 44
ALA
Atom CA of residue 83
Atom CB of residue 4
SER
TYR
Atom CA of residue 76
Atom CB of residue 30
Atom CA of residue 507
LEU
Atom OE1 of residue 132
VAL
VAL
Atom CA of residue 161
Atom CA of residue 74
Atom O of residue 7
Atom O of residue 46
Atom C of residue 85
LEU
P0
Atom CD of residue 104
LYS
Atom CA of residue 242
ASN
Atom CA of residue 103
ASN
Atom CA of residue 273
ALA
Atom CA of residue 64
TRP
GLN
Atom CA of residue 115
Atom CA of residue 87
GLU
CYS
LEU
Atom CA of residue 492
input1.pdb
Atom N of residue 130
PRO
Atom CA of residue 55
PHE
Atom CA of residue 228
Atom CG of residue 451
Atom CA of residue 541
MET
LYS
Atom CA of residue 281
Atom N of residue 137
Atom CG1 of residue 30
Atom CA of residue 458
ALA
Atom CA of residue 113
Atom CB of residue 40
Atom CA of residue 383
ILE
Atom CA of residue 86
Atom O of residue 85
Atom CA of residue 72
Atom CG of residue 146
Atom CA of residue 64
Atom NE of residue 104
P1
Atom CA of residue 24
THR
LEU
Atom CA of residue 143
Atom CB of residue 5
ARG
Atom CD1 of residue 60
Atom CA of residue 131
Atom CA of residue 576
Atom O of residue 6
Atom CA of residue 580
Atom CD1 of residue 512
HIS
Atom CA of residue 11
Atom CA of residue 31
ASN
Atom CA of residue 73
ILE
Atom CB of residue 495
CYS
PHE
PRO
ARG
ILE
Atom CA of residue 52
Atom CG of residue 61
ASP
LEU
VAL
TYR
Atom CA of residue 94
Atom CA of residue 34
ALA
Atom N of residue 63
TYR
SER
Atom CA of residue 2631
Atom CA of residue 141
GLN
GLY
Atom CD1 of residue 116
Atom CA of residue 32
Atom CA of residue 9
Atom CA of residue 292
Atom CB of residue 40
Atom CD2 of residue 60
Atom CB of residue 113
normalize rigid bodies
GLY
ASN
Atom CA of residue 90
Atom CA of residue 44
Atom CB of residue 6
Atom CD2 of residue 512
Atom CA of residue 84
Atom CA of residue 2685
Atom C of residue 466
Atom CA of residue 53
Atom CG of residue 495
PHE
Atom C of residue 545
Atom CA of residue 162
ALA
Atom CA of residue 38
Atom CA of residue 116
Atom CA of residue 10
ASN
Atom CA of residue 2649
Atom CD of residue 481
ARG
LEU
Atom CA of residue 95
Atom CA of residue 274
VAL
PHE
Atom CA of residue 4
ALA
Atom CA of residue 116
TYR
Atom CA of residue 516
Atom CD2 of residue 116
Atom CB of residue 90
Atom CA of residue 439
ASP
Atom C of residue 11
Atom CA of residue 34
GLY
Atom CA of residue 62
Atom C of residue 76
Atom CG of residue 113
PRO
Atom CA of residue 56
Atom CB of residue 60
Atom CG of residue 6
Atom C of residue 74
Atom CD of residue 103
Atom CD1 of residue 87
Atom O of residue 466
Atom CA of residue 108
GLN
Atom CA of residue 76
Atom O of residue 545
Atom CA of residue 369
ALA
GLU
LEU
Atom CA of residue 78
Atom CA of residue 2666
Atom CA of residue 61
ALA
PHE
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
Atom OE2 of residue 132
Atom CE of residue 481
Atom CD1 of residue 16
LEU
Atom CG2 of residue 44
VAL
Atom CA of residue 144
Atom CB of residue 46
Atom CA of residue 51
Atom CA of residue 132
Atom CA of residue 548
Atom CA of residue 8
LEU
Atom C of residue 541
Atom CG1 of residue 90
PRO
Atom CA of residue 6
Atom O of residue 76
Atom CG of residue 60
Atom CA of residue 511
PRO
Atom O of residue 74
CYS
Atom CD of residue 61
Atom NE of residue 103
Atom CD2 of residue 87
Chain A
Atom CA of residue 508
LEU
SER
PHE
GLU
Atom CA of residue 3
Atom CA of residue 32
Atom CA of residue 15
ASP
ILE
Atom N of residue 147
Atom CA of residue 243
Atom CD of residue 451
PRO
Atom CA of residue 104
Atom CD2 of residue 16
ARG
Atom N of residue 45
Atom CA of residue 293
Atom CA of residue 65
Atom N of residue 47
Atom C of residue 31
Atom CB of residue 85
Atom CA of residue 130
GLY
Atom CG2 of residue 30
Atom CA of residue 88
Atom CZ of residue 104
LEU
ALA
Atom O of residue 541
Atom CA of residue 85
ASN
Atom CA of residue 493
Atom NZ of residue 146
Atom CA of residue 229
Atom C of residue 34
Atom CA of residue 163
Atom OG1 of residue 7
Atom NE of residue 61
VAL
Atom CA of residue 282
Atom C of residue 141
MapReaderWriter26
Atom CA of residue 68
SER
Atom CA of residue 459
THR
Atom CA of residue 114
Atom CA of residue 384
ASN
Atom CA of residue 87
Atom CA of residue 275
ILE
Atom C of residue 3
Atom CA of residue 4
GLU
Atom CA of residue 73
Atom CA of residue 65
Atom CA of residue 117
Atom C of residue 90
Atom N of residue 452
Atom CA of residue 25
ALA
MET
Atom O of residue 31
Atom CG of residue 85
Atom CA of residue 57
Atom CD1 of residue 30
VAL
Atom CA of residue 581
Atom CA of residue 3
Atom N of residue 61
Atom C of residue 116
Atom CA of residue 137
Atom C of residue 10
THR
LYS
LYS
ILE
Atom CA of residue 508
Atom O of residue 34
Atom CE1 of residue 512
Atom NZ of residue 76
LYS
Atom CA of residue 85
TYR
ARG
LYS
Atom O of residue 141
Atom C of residue 516
Atom CA of residue 95
Atom CG of residue 8
SER
ASP
Atom CA of residue 145
Atom O of residue 4
Atom C of residue 34
LEU
TYR
Atom CA of residue 2629
Atom CA of residue 2632
Atom CA of residue 133
GLN
Atom OD1 of residue 495
Atom O of residue 90
Atom CA of residue 33
Atom CA of residue 18
ASN
THR
Atom N of residue 117
Atom N of residue 133
Atom CA of residue 45
ARG
Atom CA of residue 2686
Atom CG2 of residue 7
Atom O of residue 116
Atom O of residue 10
TYR
ASN
ALA
Atom CB of residue 571
Atom CA of residue 63
ARG
GLU
ALA
Atom CA of residue 39
Atom CD1 of residue 113
GLN
Atom CB of residue 466
Atom O of residue 516
Atom CB of residue 545
LEU
Atom CA of residue 2650
TRP
Atom CA of residue 96
Atom CA of residue 294
Atom O of residue 34
LEU
Atom OD2 of residue 495
PRO
Atom NZ of residue 481
Atom CA of residue 10
Atom CA of residue 440
Atom CA of residue 86
ALA
Atom CA of residue 63
VAL
ALA
Atom CA of residue 164
Atom CB of residue 76
Atom CA of residue 69
LYS
Atom CA of residue 109
Atom CA of residue 38
Atom CA of residue 77
Atom NH1 of residue 104
LYS
Atom CA of residue 370
GLN
ARG
THR
Atom CG2 of residue 90
Atom CB of residue 74
Atom CA of residue 276
Atom CA of residue 79
HIS
Atom CZ of residue 103
Atom CA of residue 2667
Atom CE1 of residue 87
ALA
Atom CD2 of residue 113
Atom C of residue 130
Atom CA of residue 62
ASP
LEU
Atom CA of residue 118
Atom CG of residue 466
Atom CD of residue 60
Atom CG of residue 545
Atom CA of residue 52
Atom CG of residue 78
Atom CA of residue 549
Atom CA of residue 58
Atom CA of residue 9
Atom OG of residue 572
LEU
Atom CE1 of residue 16
ILE
LYS
VAL
THR
Atom CA of residue 512
ASN
Atom CB of residue 541
Atom N of residue 5
ARG
Atom CG of residue 76
Atom CA of residue 509
Atom NH2 of residue 104
Atom CA of residue 476
ALA
LEU
ILE
Atom CD1 of residue 90
Atom N of residue 75
Atom CA of residue 146
Atom CA of residue 35
Atom CA of residue 57
Atom CZ of residue 61
VAL
Atom CA of residue 134
Atom O of residue 130
Atom NE of residue 60
Atom CA of residue 244
Atom CA of residue 66
Atom CA of residue 105
Atom CE2 of residue 512
VAL
Atom C of residue 137
Atom CA of residue 27
Atom CA of residue 89
VAL
ILE
LYS
PHE
Atom C of residue 18
TYR
GLY
Atom CA of residue 494
LYS
Atom CA of residue 14
Model 47
Atom CB of residue 31
Atom N of residue 31
Atom CA of residue 230
Atom N of residue 542
PHE
LYS
Atom OD1 of residue 85
Atom CA of residue 283
GLU
Atom CA of residue 460
LYS
Atom CA of residue 115
Atom N of residue 35
Atom CA of residue 385
LYS
Atom CA of residue 295
Atom CA of residue 88
Atom CA of residue 149
Atom CA of residue 74
Atom CB of residue 141
Atom CA of residue 66
PHE
Atom CZ of residue 512
PHE
Atom CA of residue 87
LEU
AccumulateRigidBodyDerivatives3
Atom O of residue 137
Atom CB of residue 90
Atom CA of residue 474
Atom CA of residue 165
Atom C of residue 63
Atom CA of residue 26
Atom CG of residue 31
Atom CA of residue 292
ILE
ALA
VAL
PHE
PHE
Atom CA of residue 509
Atom N of residue 6
Atom N of residue 482
Atom CA of residue 277
HIS
TYR
ARG
Atom ND2 of residue 85
VAL
TYR
MET
Atom CB of residue 116
GLU
Atom CA of residue 119
Atom CB of residue 10
Atom CA of residue 96
ASP
THR
GLY
DensityMap888
ASP
Atom CA of residue 47
CYS
Atom CA of residue 2633
Atom CG of residue 141
ASP
Atom CA of residue 59
Atom CB of residue 516
Atom CB of residue 135
Atom CA of residue 45
ASP
Atom C of residue 14
Atom N of residue 35
Atom NH1 of residue 103
Atom CE2 of residue 87
VAL
Atom N of residue 496
PHE
Atom CG1 of residue 90
SER
Atom CA of residue 46
LEU
Atom O of residue 63
Atom CA of residue 2687
LEU
SER
ASP
Atom CE2 of residue 16
LEU
Atom CA of residue 2
Atom CA of residue 147
GLY
Atom CA of residue 40
Atom CA of residue 135
Atom CG1 of residue 116
Atom CG of residue 10
ILE
Atom CA of residue 2651
GLU
Atom CA of residue 97
TYR
Chain A
Atom N of residue 114
SER
Atom CG of residue 516
Atom CA of residue 117
Atom CA of residue 133
Atom CA of residue 452
PHE
Atom CA of residue 449
VAL
Atom CA of residue 68
THR
Atom CA of residue 64
Atom NH1 of residue 61
Atom CD of residue 78
Atom NH2 of residue 103
Atom CZ of residue 87
VAL
Atom CD of residue 466
ALA
Atom SD of residue 545
Atom CA of residue 455
Atom CA of residue 475
LEU
LEU
Atom CA of residue 110
Atom CA of residue 39
Atom CA of residue 78
Atom N of residue 105
Atom CA of residue 371
GLN
ARG
Atom CZ of residue 16
Atom CA of residue 296
ASP
Atom CA of residue 80
Atom CA of residue 54
Atom CA of residue 2668
Atom CA of residue 63
ASN
PHE
LYS
Atom CA of residue 43
Atom N of residue 91
Atom CA of residue 88
Atom O of residue 14
Atom CA of residue 85
Atom SD of residue 76
LEU
Atom CB of residue 130
Atom CA of residue 550
Atom CZ of residue 60
Atom CA of residue 18
Atom CZ of residue 8
Atom CA of residue 166
VAL
Atom CA of residue 441
VAL
VAL
GLN
Atom NH2 of residue 61
Atom CE of residue 78
Atom CA of residue 50
Atom N of residue 467
Atom CA of residue 513
Atom CE of residue 545
SER
Atom CA of residue 278
xxx.em
ARG
THR
ALA
Atom CA of residue 120
Atom CA of residue 510
PRO
LEU
LEU
Atom CA of residue 58
LEU
Atom CA of residue 60
Atom CA of residue 245
Atom CA of residue 106
Atom N of residue 513
LEU
GLY
Atom CA of residue 8
GLU
Atom CE of residue 76
Atom CG of residue 130
Atom CA of residue 90
VAL
Atom CA of residue 10
PRO
LYS
PRO
LYS
Atom CA of residue 495
Atom CB of residue 137
Atom CA of residue 28
Atom CA of residue 231
Atom CA of residue 35
TYR
Atom CA of residue 148
Atom C of residue 47
MET
Atom CA of residue 136
Atom CA of residue 284
Atom CA of residue 461
LEU
Atom CA of residue 116
Atom CA of residue 386
VAL
Atom C of residue 45
Atom CA of residue 89
PRO
Atom CB of residue 14
Atom OD1 of residue 31
Atom N of residue 86
Atom CA of residue 75
Atom CA of residue 67
Atom CD1 of residue 575
ASN
LEU
Atom CA of residue 14
PHE
Atom CA of residue 31
Atom CA of residue 456
ALA
Atom CA of residue 9
Atom CA of residue 476
Atom CA of residue 27
GLY
Atom CA of residue 502
Atom CD of residue 141
Atom CG of residue 137
LEU
LYS
LYS
GLU
ARG
SampledDensityMap62
Atom CA of residue 510
Atom CB of residue 63
Atom CA of residue 297
Atom CA of residue 75
ARG
SER
Atom O of residue 47
ARG
Atom CA of residue 293
SER
LEU
LYS
LEU
Atom CG2 of residue 90
Atom C of residue 117
Atom C of residue 133
Atom CA of residue 97
Atom C of residue 452
CYS
ARG
Atom O of residue 45
Atom CA of residue 89
Atom CA of residue 35
Atom ND2 of residue 31
VAL
Atom CA of residue 2634
TYR
Atom CA of residue 167
LEU
Atom N of residue 104
Atom OH of residue 87
Atom CG2 of residue 116
Atom SD of residue 10
GLY
LEU
Atom CA of residue 47
Atom NH1 of residue 8
Atom CA of residue 482
Atom CA of residue 542
Atom CA of residue 279
Atom CA of residue 2688
ASP
ILE
Atom NE of residue 141
Atom CA of residue 121
ASN
Atom NH1 of residue 60
Atom CD1 of residue 516
Atom OH of residue 16
Atom CG of residue 63
Atom OG1 of residue 14
Atom CA of residue 8
ASP
Atom CA of residue 41
ARG
Atom CA of residue 61
Atom C of residue 496
Atom CD1 of residue 90
Atom O of residue 117
Atom O of residue 133
HIS
Atom CA of residue 2652
Atom O of residue 452
HIS
Atom CA of residue 98
Atom CB of residue 437
GLY
LEU
VAL
GLU
ASP
Atom CA of residue 82
Atom CA of residue 317
Atom CA of residue 65
Atom N of residue 62
TRP
Atom N of residue 88
Atom CD1 of residue 116
Atom CE of residue 10
Atom NH1 of residue 149
ARG
Atom CA of residue 149
Atom CA of residue 137
Atom CA of residue 16
GLU
Atom CA of residue 111
Atom CA of residue 40
Atom NH2 of residue 60
Atom CD2 of residue 516
Atom CA of residue 79
Atom N of residue 546
Atom CA of residue 372
THR
LEU
Atom N of residue 17
ILE
Atom CB of residue 116
Atom CA of residue 442
SER
Atom CA of residue 81
Atom CA of residue 55
Atom CG of residue 117
Atom CA of residue 2669
Atom CA of residue 114
Atom CA of residue 64
HIS
GLU
Atom O of residue 496
Atom CA of residue 44
MET
Atom CA of residue 551
Atom CA of residue 457
Atom C of residue 35
Atom CA of residue 477
ILE
Atom CA of residue 99
PRO
LEU
MET
Atom N of residue 77
PHE
ASN
Atom CA of residue 51
Atom CA of residue 514
ASN
Atom CA of residue 298
Atom CG2 of residue 14
Atom CA of residue 6
ARG
Atom OD1 of residue 130
ARG
Atom CA of residue 511
VAL
LEU
TYR
Atom CA of residue 11
Atom CA of residue 91
Atom CA of residue 90
LYS
Atom CA of residue 59
Atom CD of residue 117
Atom C of residue 31
Atom CA of residue 246
Atom CA of residue 107
Atom CA of residue 168
ILE
Atom CA of residue 91
Atom CA of residue 105
GLY
Atom NH2 of residue 8
Atom O of residue 35
ILE
Atom C of residue 75
Atom CA of residue 280
LEU
Atom CA of residue 496
ASP
ARG
TYR
Atom CA of residue 122
Atom CA of residue 232
Model 5
Atom C of residue 576
Atom C of residue 35
THR
Atom CG2 of residue 148
Atom ND2 of residue 130
Atom CA of residue 285
ALA
Atom CA of residue 62
Atom CA of residue 462
LEU
LYS
Atom CA of residue 117
Atom CA of residue 387
HIS
Atom CA of residue 90
Atom CB of residue 47
Atom CA of residue 76
Atom CA of residue 68
Atom CD1 of residue 137
Atom O of residue 31
SampledDensityMap81
ILE
Atom C of residue 482
SER
Atom CB of residue 45
Atom C of residue 542
GLU
Atom N of residue 32
Atom CA of residue 54
Atom CA of residue 28
PHE
Atom O of residue 75
Atom CA of residue 150
Atom N of residue 15
Atom CA of residue 138
Atom CA of residue 503
TRP
Atom CA of residue 467
GLN
MET
PRO
VAL
Atom CA of residue 511
Atom CA of residue 513
SER
GLY
LEU
PHE
Atom C of residue 5
Atom O of residue 35
Atom CA of residue 5
GLN
Atom CA of residue 61
Atom CA of residue 294
Atom CA of residue 86
GLU
PHE
ARG
Atom CZ of residue 141
Atom CA of residue 98
ALA
MET
VAL
Atom CG of residue 47
ALA
Atom CD2 of residue 137
PHE
Atom N of residue 91
Atom CB of residue 117
Atom CA of residue 458
Atom CB of residue 133
Atom CB of residue 452
Atom O of residue 482
Atom CA of residue 478
Atom CD1 of residue 63
Atom CG1 of residue 45
Atom O of residue 542
Atom CA of residue 100
GLU
PRO
Atom CA of residue 2635
GLU
Atom CG of residue 437
ASN
THR
Atom CA of residue 48
Atom CA of residue 299
Atom CA of residue 2689
PRO
Atom C of residue 114
Atom N of residue 117
Atom N of residue 11
MET
THR
Atom N of residue 61
Atom CA of residue 91
ILE
Atom CA of residue 42
Atom C of residue 61
ASP
Atom N of residue 118
Atom CB of residue 146
Atom CB of residue 496
Atom N of residue 517
THR
Atom CA of residue 2653
VAL
GLU
Atom CA of residue 169
Atom CA of residue 99
Atom CE2 of residue 77
THR
GLY
Atom CG1 of residue 117
Atom N of residue 134
Atom N of residue 453
Atom CD2 of residue 63
Atom CA of residue 281
ALA
GLU
Atom CA of residue 318
CYS
Atom CA of residue 123
Atom O of residue 568
Atom NH1 of residue 13
Atom C of residue 91
Atom O of residue 5
Atom O of residue 114
GLN
TYR
Atom CA of residue 17
Atom CA of residue 63
Atom CA of residue 112
Atom CA of residue 41
SER
Atom CA of residue 80
Atom CA of residue 373
ASP
VAL
ILE
Atom CA of residue 443
Atom CA of residue 82
Atom CA of residue 83
Atom CG of residue 9
Atom CA of residue 56
Atom CA of residue 104
Atom CA of residue 2670
Atom CA of residue 65
THR
GLY
Atom CA of residue 41
Atom N of residue 497
LEU
Atom C of residue 105
ALA
Atom CA of residue 45
SER
LEU
ARG
Atom N of residue 117
Atom CA of residue 552
GLY
PRO
Atom CA of residue 151
ASN
Atom CA of residue 139
ASN
Atom CA of residue 515
Atom CA of residue 546
THR
Atom CB of residue 35
Atom O of residue 91
THR
ALA
LYS
Atom C of residue 150
Atom CA of residue 512
ALA
ASP
Atom CA of residue 12
PHE
Atom CA of residue 60
Atom CA of residue 62
Atom N of residue 131
Atom O of residue 105
Atom CA of residue 459
Atom CA of residue 247
Atom CA of residue 108
Atom CA of residue 479
ILE
Atom C of residue 4
Atom CA of residue 77
VAL
Atom NH1 of residue 141
PRO
Atom CD1 of residue 437
ARG
Atom C of residue 467
Atom CB of residue 31
Atom CA of residue 92
LYS
Atom NH2 of residue 13
Atom C of residue 513
Atom CA of residue 300
TYR
Atom C of residue 86
LEU
Atom CA of residue 233
Atom OG1 of residue 35
Atom CB of residue 75
Atom CA of residue 92
Atom CD of residue 9
Atom CA of residue 9
Atom CA of residue 67
THR
Atom CA of residue 286
Atom CA of residue 463
CYS
LEU
Atom CA of residue 118
Atom CA of residue 170
Atom CA of residue 388
ASP
Atom CA of residue 91
Atom CB of residue 35
Atom CG of residue 40
PRO
Atom CA of residue 77
Atom CA of residue 69
Atom CA of residue 282
Atom CA of residue 498
THR
Atom CA of residue 55
GLN
Atom NH2 of residue 141
Atom CE1 of residue 137
Atom CA of residue 124
Atom CD2 of residue 437
Atom O of residue 467
Atom N of residue 32
Atom CB of residue 482
Atom O of residue 513
Atom CA of residue 37
Atom CB of residue 542
LEU
Atom CD of residue 47
Atom O of residue 86
Atom CA of residue 504
ASP
Atom CA of residue 64
ILE
THR
PRO
ARG
Atom CA of residue 512
Atom CG2 of residue 45
PRO
Atom CG1 of residue 75
ALA
HIS
Atom CB of residue 12
LEU
GLY
Atom CA of residue 295
GLU
Atom CA of residue 88
VAL
TRP
GLN
Atom CA of residue 99
ILE
VAL
ASN
Atom OG1 of residue 35
Atom CA of residue 32
Atom O of residue 61
PRO
HIS
Atom CA of residue 152
Atom CA of residue 2636
Atom CA of residue 140
Atom CE of residue 146
ARG
Atom CA of residue 49
Atom CG of residue 482
Atom CB of residue 18
Atom N of residue 64
Atom CA of residue 29
Atom CG of residue 542
VAL
Atom CA of residue 2690
Atom NE of residue 47
Atom C of residue 104
PHE
Atom CA of residue 571
Atom CG2 of residue 117
TYR
SER
GLN
Atom N of residue 46
Atom CG of residue 12
VAL
Atom CA of residue 43
GLU
Atom CB of residue 114
Atom CA of residue 91
Atom CA of residue 460
PHE
Atom CA of residue 2654
Atom N of residue 14
MET
Atom CA of residue 480
Atom CA of residue 100
PHE
ASP
Atom CB of residue 61
ASN
VAL
Atom C of residue 546
Atom CA of residue 301
Atom CA of residue 319
Atom CA of residue 117
Atom CA of residue 11
PHE
LEU
Atom CA of residue 17
PHE
GLN
Atom CA of residue 93
Atom CB of residue 9
Atom C of residue 62
Atom O of residue 104
Atom CA of residue 113
Atom CA of residue 42
Atom CA of residue 517
Atom CA of residue 81
Atom N of residue 118
Atom CA of residue 374
THR
LYS
Atom CA of residue 171
GLY
Atom N of residue 92
Atom CA of residue 444
Atom CA of residue 83
Atom CA of residue 84
Atom CA of residue 57
Atom C of residue 77
Atom CA of residue 2671
Atom CG of residue 114
GLN
PRO
Atom CA of residue 42
Atom CA of residue 46
Atom CA of residue 283
MET
MET
GLN
LYS
ASN
Atom CA of residue 553
Atom CA of residue 125
Atom CA of residue 61
Atom CB of residue 105
Atom O of residue 546
Atom CA of residue 18
ASN
SER
Atom CA of residue 65
Atom CA of residue 516
Atom CD1 of residue 12
LYS
Atom O of residue 62
Atom CE2 of residue 137
Atom CA of residue 514
GLN
GLU
LEU
Atom CA of residue 13
PHE
PHE
LEU
Atom CA of residue 130
Atom O of residue 77
Atom CA of residue 134
Atom CA of residue 248
Atom CA of residue 453
Atom CG2 of residue 35
Atom CA of residue 109
GLY
Atom CA of residue 153
TYR
Atom CA of residue 74
Atom N of residue 142
Atom CA of residue 93
Atom CG of residue 105
LEU
Atom CA of residue 11
Atom C of residue 88
Atom CE1 of residue 437
Atom CB of residue 467
Atom CA of residue 234
ASP
Atom CB of residue 513
Atom C of residue 32
HIS
Atom CB of residue 86
Atom CA of residue 131
Atom CA of residue 287
Atom CZ of residue 137
PRO
GLU
Atom CA of residue 497
THR
Atom CA of residue 461
Atom CA of residue 464
LYS
PRO
Atom CA of residue 119
Atom CA of residue 481
Atom CA of residue 389
GLU
Atom CA of residue 92
PHE
GLN
Atom CA of residue 67
Atom CA of residue 70
Atom CA of residue 78
ILE
Atom N of residue 36
Atom CA of residue 302
Atom CG2 of residue 75
Atom CA of residue 499
GLY
Atom CA of residue 56
VAL
DensityMap24
Atom CG2 of residue 35
Atom CA of residue 10
Atom O of residue 88
Atom CA of residue 505
Atom O of residue 574
Atom CG of residue 467
LEU
THR
LEU
Atom C of residue 91
GLU
Atom CA of residue 172
Atom CG of residue 513
GLU
GLU
PRO
Atom CA of residue 7
Atom CZ of residue 47
VAL
Atom O of residue 32
Atom CA of residue 296
Atom CG1 of residue 86
GLU
GLU
Atom CA of residue 70
LYS
GLU
Atom CA of residue 100
Atom CA of residue 513
ALA
PRO
Atom OD1 of residue 482
VAL
Atom CA of residue 30
ALA
Atom CD1 of residue 542
Atom CA of residue 284
TYR
Atom C of residue 117
Atom CA of residue 126
LYS
Atom C of residue 11
Atom CE of residue 76
Atom N of residue 76
CYS
Atom CG of residue 61
Atom CA of residue 2637
Chain A
Atom C of residue 517
LEU
Atom CA of residue 2691
Atom N of residue 36
Chain C
Atom O of residue 91
THR
LYS
Atom OE1 of residue 9
SER
Atom CA of residue 62
Atom CA of residue 131
Atom CA of residue 44
SER
Atom CB of residue 104
Atom CA of residue 67
Atom C of residue 61
LYS
ARG
Atom CA of residue 2655
Atom OD2 of residue 482
SER
Atom CA of residue 101
SER
Atom CD2 of residue 542
Atom CA of residue 154
LYS
Atom O of residue 117
Atom CA of residue 32
CYS
Atom O of residue 13
Atom C of residue 17
Atom CA of residue 64
Atom CA of residue 94
Atom CA of residue 320
Atom CA of residue 12
Atom CA of residue 48
Atom CD1 of residue 114
ASP
Atom O of residue 517
Atom CB of residue 546
ASP
LEU
Atom CA of residue 92
SER
Atom CA of residue 114
PRO
Atom CA of residue 43
Atom CA of residue 82
Atom C of residue 134
Atom CA of residue 462
SER
Atom C of residue 453
VAL
Atom CA of residue 482
LEU
Atom CA of residue 445
HIS
Atom CA of residue 84
Atom CA of residue 85
Atom CA of residue 58
ALA
Atom CB of residue 62
Atom CG of residue 104
Atom CA of residue 2672
ARG
LYS
GLN
Atom CE2 of residue 437
Atom O of residue 61
Atom CA of residue 47
Atom CA of residue 303
GLN
Atom CG1 of residue 4
GLY
Atom CB of residue 77
Atom CA of residue 554
Atom O of residue 17
LEU
LEU
Atom CD2 of residue 114
SER
Atom C of residue 131
Atom CA of residue 75
Atom C of residue 497
Atom CA of residue 515
Atom CA of residue 518
Atom CG1 of residue 546
Atom CA of residue 67
Atom CA of residue 173
ILE
ALA
Atom CZ of residue 77
Atom OH of residue 137
Atom CA of residue 71
ASP
Atom CD of residue 105
Atom O of residue 134
GLU
Atom CA of residue 14
LEU
Atom O of residue 453
ASP
Atom CA of residue 46
Atom CA of residue 285
VAL
Atom CG of residue 62
Atom CA of residue 127
Atom CZ of residue 437
Atom CA of residue 249
Atom CA of residue 110
Atom NH1 of residue 47
Atom CG of residue 77
Atom CD of residue 61
GLU
Atom CA of residue 130
Atom CA of residue 94
Atom CD1 of residue 6
MET
Atom CA of residue 95
ASP
Atom O of residue 131
Atom O of residue 497
VAL
Atom CA of residue 235
ASP
ASP
Atom OD2 of residue 6
Atom CA of residue 132
LEU
Atom CB of residue 88
Atom CA of residue 288
Atom N of residue 575
Atom N of residue 138
Atom CA of residue 68
Atom CA of residue 29
Atom N of residue 106
Atom CA of residue 118
Atom CA of residue 497
ARG
Atom CA of residue 120
PRO
Atom CA of residue 390
ALA
Atom CA of residue 93
LEU
Atom CA of residue 155
Atom CB of residue 32
Atom CA of residue 71
Atom CA of residue 79
Atom CD of residue 467
Atom CD1 of residue 513
Atom CA of residue 500
GLY
Atom CA of residue 20
Atom NH2 of residue 47
Atom CA of residue 57
Atom NE of residue 61
Atom CG2 of residue 86
ARG
MET
Atom CA of residue 506
SER
LEU
HIS
PHE
PHE
Atom CA of residue 463
Atom CA of residue 483
LYS
PRO
ARG
ASN
Atom OE2 of residue 9
MET
PRO
GLU
GLU
Atom CA of residue 297
Atom CG of residue 88
Atom CA of residue 142
GLY
ASP
Atom C of residue 32
Atom N of residue 92
ASP
Atom CA of residue 101
LEU
Atom CA of residue 514
GLY
ALA
Atom C of residue 64
Atom CA of residue 31
Atom CA of residue 304
Atom CG2 of residue 4
Atom CG of residue 32
ALA
Atom OE1 of residue 467
Atom N of residue 483
Atom CD2 of residue 513
Atom N of residue 543
Atom C of residue 92
SER
Atom CA of residue 6
Atom N of residue 87
Atom CA of residue 2646
CYS
ARG
Atom CA of residue 174
Atom CA of residue 2692
Atom CA of residue 36
Atom CA of residue 433
GLN
TYR
Atom CA of residue 72
Atom CB of residue 517
Atom CA of residue 286
GLU
Atom CA of residue 45
ASP
Atom CA of residue 128
Atom O of residue 32
LEU
PRO
ASP
Atom CD2 of residue 6
Atom CA of residue 2656
ASP
Atom O of residue 64
Atom CA of residue 102
Atom NH1 of residue 77
Atom CB of residue 61
LEU
GLU
Atom CA of residue 36
Atom CB of residue 17
ASN
Atom O of residue 92
Atom CA of residue 96
Atom CA of residue 321
Atom CD1 of residue 104
Atom CA of residue 2638
THR
GLU
Atom C of residue 46
Atom C of residue 12
Atom CA of residue 133
Atom N of residue 115
Atom CA of residue 131
Atom CA of residue 69
Atom CA of residue 115
THR
Atom CA of residue 44
Atom CG of residue 517
Atom CA of residue 83
LEU
ASP
Atom CA of residue 446
GLU
Atom CA of residue 85
Atom CA of residue 156
Atom CA of residue 86
Atom CA of residue 4
HIS
Atom CA of residue 59
Atom CA of residue 2673
ILE
GLU
Atom N of residue 438
Atom CA of residue 519
Atom CG2 of residue 546
Atom CB of residue 134
Atom CB of residue 453
Atom CA of residue 48
LYS
VAL
Atom NH2 of residue 77
Atom CA of residue 555
Atom OG of residue 61
Atom CG of residue 17
GLY
Atom CA of residue 76
TYR
Atom SD of residue 62
Atom CD2 of residue 104
LEU
SER
Atom CA of residue 76
PRO
Atom CA of residue 516
Atom C of residue 118
Atom CA of residue 464
Atom CA of residue 484
Atom O of residue 46
GLU
Atom N of residue 10
Atom CD1 of residue 4
Atom CA of residue 36
ALA
Atom CD of residue 77
GLY
Atom CB of residue 131
PRO
Atom CB of residue 497
Atom CA of residue 22
ASN
Atom CA of residue 15
THR
SER
Atom CA of residue 305
SampledDensityMap23
CYS
LEU
ALA
Atom N of residue 547
Atom CG of residue 134
Atom CA of residue 250
Atom OG of residue 453
Atom CA of residue 111
ILE
Atom CA of residue 21
Atom N of residue 48
Atom CA of residue 95
Atom CA of residue 175
GLY
Atom CE of residue 62
ALA
Atom CZ of residue 61
ASP
ALA
Atom C of residue 142
PRO
Atom CA of residue 73
Atom CA of residue 236
Atom O of residue 118
Atom N of residue 7
ALA
Atom CA of residue 287
SER
Atom NE of residue 77
LYS
Atom CG of residue 131
Atom CA of residue 289
Atom CA of residue 129
Atom CA of residue 30
Atom CG of residue 497
ARG
Atom CA of residue 121
THR
Atom CA of residue 391
ASP
Atom CA of residue 94
ASP
Atom CA of residue 72
Atom CA of residue 80
Atom CA of residue 97
Atom CA of residue 501
MET
Atom CA of residue 58
Atom CD of residue 88
Atom OE2 of residue 467
SER
Atom N of residue 514
MET
Atom CA of residue 134
Atom CD of residue 32
Atom CA of residue 149
TYR
Atom CA of residue 507
Atom CA of residue 132
Atom O of residue 142
Atom CA of residue 70
GLY
LEU
HIS
Atom CA of residue 92
GLU
LEU
LEU
LEU
Atom CA of residue 157
VAL
MET
ASP
Atom CA of residue 298
ILE
HIS
Atom CA of residue 102
Atom CA of residue 515
LYS
Atom C of residue 36
GLY
Atom CA of residue 32
Atom N of residue 569
Atom CA of residue 20
LEU
Atom CB of residue 32
Atom CB of residue 64
PRO
Atom N of residue 89
LYS
Atom CA of residue 573
PRO
LEU
Atom CA of residue 465
SER
THR
Atom CB of residue 92
PHE
Atom CA of residue 2693
TYR
Atom N of residue 33
Atom CA of residue 37
Atom CA of residue 434
PHE
Atom CA of residue 306
Atom CA of residue 46
Atom CA of residue 2639
LYS
ALA
Atom CA of residue 106
Atom CA of residue 466
TYR
Atom CA of residue 2657
Atom CA of residue 483
Atom O of residue 36
GLU
Atom CA of residue 103
Atom CA of residue 543
Atom C of residue 76
LEU
Atom N of residue 78
Atom CG of residue 32
Atom CD1 of residue 517
SER
Atom CG of residue 64
Atom CA of residue 176
Atom C of residue 36
Atom CA of residue 322
GLU
SER
Atom CG of residue 92
Atom CA of residue 288
LYS
Atom CA of residue 15
Atom NE1 of residue 104
Atom CA of residue 116
LYS
Atom CA of residue 45
Atom N of residue 62
Atom CA of residue 84
LYS
Atom CD of residue 17
Atom CB of residue 46
ILE
Atom CA of residue 447
Atom CA of residue 86
Atom CA of residue 87
Atom CA of residue 60
Atom NH1 of residue 61
Atom CA of residue 2674
ALA
LEU
Atom CA of residue 520
Atom CA of residue 49
Atom O of residue 76
Atom CA of residue 98
ALA
Atom O of residue 13
PRO
LYS
Atom CA of residue 138
Atom CA of residue 556
Atom CD2 of residue 517
GLN
ASP
Atom C of residue 9
Atom CA of residue 485
Fit restraint scratch map
Atom O of residue 36
Atom CA of residue 135
SER
Atom CA of residue 87
Atom CA of residue 115
PHE
Atom CA of residue 133
Atom CA of residue 77
Atom C of residue 577
Atom CA of residue 71
Atom CA of residue 517
Atom CD1 of residue 134
Atom N of residue 454
GLU
Atom CA of residue 158
Atom N of residue 63
Atom CZ of residue 115
Atom N of residue 468
THR
LEU
Atom CB of residue 118
Atom CA of residue 23
LEU
Atom CA of residue 16
ARG
Atom OE1 of residue 17
SER
Atom N of residue 47
Atom CZ of residue 77
Atom NH2 of residue 61
Atom CA of residue 251
Atom CA of residue 112
ARG
Atom CD of residue 131
Atom CD1 of residue 497
Atom CA of residue 96
Atom C of residue 92
Atom CA of residue 466
ALA
SER
Atom CA of residue 12
THR
GLU
VAL
Atom CA of residue 438
Atom CA of residue 237
Atom CD2 of residue 134
SER
Atom CA of residue 307
LEU
LYS
THR
Atom CB of residue 142
Atom CA of residue 290
LYS
Atom CA of residue 31
Atom CA of residue 36
Atom CG of residue 118
PRO
GLY
Atom CA of residue 122
PHE
Atom CA of residue 392
ARG
Atom CA of residue 95
Atom CB of residue 13
Atom CA of residue 73
Atom CA of residue 81
Atom CA of residue 7
Atom O of residue 571
Atom CA of residue 177
Atom CA of residue 502
GLN
Atom CA of residue 59
Atom N of residue 132
ALA
SER
Atom CD2 of residue 497
Atom O of residue 92
Atom CA of residue 289
LYS
SER
Atom CA of residue 508
ILE
LYS
PRO
Atom C of residue 106
GLN
Atom C of residue 483
GLY
Atom C of residue 543
LEU
LEU
TYR
ALA
Atom CA of residue 48
ASN
ASP
ASP
Atom CA of residue 299
Atom CG1 of residue 142
SER
MET
Atom CA of residue 103
Atom CA of residue 516
LYS
MET
Atom CA of residue 33
Atom CE2 of residue 104
ALA
Atom CA of residue 547
PRO
Atom CB of residue 36
THR
Atom CA of residue 514
Atom CA of residue 524
Atom CA of residue 12
Atom CA of residue 136
Atom CA of residue 134
PHE
Atom CA of residue 72
LEU
GLY
Atom CA of residue 159
Atom CA of residue 38
Atom CA of residue 435
Atom CD of residue 32
Atom O of residue 106
GLY
Atom O of residue 483
Atom CD1 of residue 64
Atom O of residue 543
Atom CG of residue 13
Atom CA of residue 47
Atom CA of residue 2640
ASP
Atom C of residue 138
ASP
Atom CA of residue 467
LEU
Atom CA of residue 2658
VAL
Atom CA of residue 104
GLY
Atom CD1 of residue 92
Atom C of residue 87
Atom CE3 of residue 104
Atom C of residue 115
MET
ILE
Atom CA of residue 467
Atom CG of residue 36
Atom CB of residue 76
ASN
LYS
GLU
ILE
Atom CA of residue 323
Atom NH1 of residue 77
Atom N of residue 518
Atom CA of residue 308
Atom CB of residue 36
Atom CA of residue 34
Atom CA of residue 117
ASN
Atom OE1 of residue 32
Atom CA of residue 46
Atom CA of residue 85
ASP
Atom CD2 of residue 64
ASN
Atom CA of residue 448
Atom CA of residue 87
Atom CA of residue 88
Atom CA of residue 61
Atom N of residue 62
Atom CA of residue 2675
ASP
GLY
Atom O of residue 138
Atom CA of residue 62
Atom CA of residue 521
THR
Atom OE2 of residue 17
Atom CA of residue 178
Atom CD2 of residue 92
Fit restraint
PHE
Atom C of residue 8
MET
Atom O of residue 87
Atom O of residue 115
TYR
Atom C of residue 438
Atom CA of residue 557
PRO
Atom C of residue 7
Atom CA of residue 486
ARG
Atom CG of residue 76
ASP
GLN
Atom NZ of residue 76
Atom NH2 of residue 77
Atom CA of residue 89
ASN
Atom CA of residue 78
Atom CA of residue 518
VAL
Atom CG of residue 36
Atom CA of residue 33
Atom CA of residue 78
Atom CE1 of residue 134
Atom CA of residue 24
PRO
Atom CA of residue 17
LEU
Atom CA of residue 454
GLU
MET
GLU
Atom CA of residue 252
Atom CA of residue 113
Atom CA of residue 18
PHE
Atom CA of residue 137
Atom CA of residue 135
Atom O of residue 438
Atom CA of residue 73
Atom CA of residue 97
Atom CD of residue 118
ILE
Atom CA of residue 160
Atom C of residue 48
Atom CA of residue 63
THR
SER
ILE
Atom CA of residue 468
Atom N of residue 498
Atom CB of residue 92
Atom CA of residue 238
Atom CA of residue 19
LEU
PRO
Atom CA of residue 291
Atom CA of residue 32
Atom C of residue 547
GLU
PHE
Atom CA of residue 123
PHE
Atom C of residue 514
Atom CA of residue 393
TRP
GLY
Atom CA of residue 96
Atom CA of residue 14
Atom O of residue 8
Atom CA of residue 74
Atom CA of residue 82
ALA
Atom CA of residue 468
Atom CA of residue 293
Atom CA of residue 503
TYR
Atom CA of residue 60
Atom CG2 of residue 142
VAL
Atom CE of residue 118
Atom CA of residue 309
Atom CA of residue 9
Atom O of residue 48
Atom CA of residue 509
GLN
MET
LYS
ASN
Atom CG of residue 92
MET
SampledDensityMap85
Atom CA of residue 47
ARG
THR
Atom CA of residue 290
PRO
THR
SER
GLU
Atom CA of residue 300
GLY
Atom CB of residue 106
Atom O of residue 547
Atom CA of residue 104
Atom CA of residue 517
Atom O of residue 7
Atom CB of residue 483
Atom O of residue 514
THR
Atom CA of residue 34
Atom CA of residue 179
Atom CB of residue 543
Atom CA of residue 525
Atom CZ2 of residue 104
THR
PRO
Atom CA of residue 130
PRO
VAL
GLU
Atom N of residue 143
VAL
Atom N of residue 18
Atom CA of residue 8
Atom CA of residue 39
Atom CA of residue 436
Atom C of residue 62
PHE
Atom CA of residue 52
Atom SD of residue 36
Atom CA of residue 36
Atom CA of residue 48
Atom CA of residue 2641
GLY
Atom OE2 of residue 32
Atom N of residue 107
LYS
Atom CA of residue 468
HIS
Atom CB of residue 7
Atom CA of residue 2659
Atom CG of residue 483
GLU
Atom CE1 of residue 64
Atom CA of residue 105
Atom CG of residue 543
THR
Atom CA of residue 138
Atom CZ3 of residue 104
Atom C of residue 89
Atom CA of residue 136
Atom CB of residue 138
Atom CA of residue 74
GLU
LEU
Atom CE2 of residue 134
Atom N of residue 93
ALA
Atom CB of residue 8
Atom CA of residue 324
Atom C of residue 33
Atom N of residue 78
Atom CB of residue 87
Atom N of residue 116
Atom CA of residue 132
Atom C of residue 78
Atom CA of residue 50
Atom C of residue 454
LEU
PRO
Atom N of residue 8
Atom CE2 of residue 77
ALA
Atom CA of residue 118
PRO
Atom CA of residue 47
Atom O of residue 62
Atom CA of residue 86
VAL
Atom CE of residue 36
ARG
LYS
Atom CA of residue 453
Atom SD of residue 76
Atom CA of residue 88
Atom CA of residue 89
Atom CA of residue 62
Atom CA of residue 2676
ASN
MET
GLN
Atom CA of residue 522
Atom CA of residue 469
Atom CD of residue 76
ASN
Atom SD of residue 36
CYS
Atom C of residue 63
ASN
Atom O of residue 89
Atom SG of residue 138
Atom CA of residue 558
Atom C of residue 468
Atom CA of residue 518
Atom CZ of residue 134
Atom CA of residue 487
ASP
Atom CA of residue 310
Atom CA of residue 2
Atom CA of residue 5
THR
Atom O of residue 33
LYS
Atom CG of residue 87
ILE
SER
Atom CA of residue 79
Atom O of residue 78
Atom CB of residue 438
Atom CA of residue 519
Atom O of residue 454
Atom CA of residue 291
THR
MET
Atom CA of residue 25
ALA
Atom CA of residue 34
LEU
ILE
Atom CA of residue 180
SER
Atom CE of residue 76
Fit restraint
SER
ILE
Atom CA of residue 131
LYS
Atom CA of residue 253
Atom CA of residue 114
Atom CE of residue 36
Atom O of residue 63
Atom O of residue 468
Atom CA of residue 98
Atom C of residue 47
SER
VAL
Atom CA of residue 62
THR
Atom CG of residue 438
Atom CA of residue 239
Atom NZ of residue 118
PRO
Atom CA of residue 8
Atom CA of residue 37
Atom CB of residue 48
LYS
THR
Atom CA of residue 33
VAL
LYS
P2
TYR
Atom C of residue 12
Atom CA of residue 124
CYS
Atom CA of residue 394
GLU
Atom CA of residue 97
LEU
Atom CA of residue 139
Atom CA of residue 137
Atom CA of residue 75
Atom CA of residue 83
Atom CA of residue 75
Atom CD1 of residue 92
Atom CB of residue 547
Atom CB of residue 514
GLN
Atom CA of residue 504
Atom CA of residue 61
SampledDensityMap32
GLY
Atom N of residue 33
Atom CA of residue 498
Atom CE2 of residue 64
Atom O of residue 47
Atom CA of residue 153
Atom CA of residue 510
GLU
GLU
LEU
VAL
GLU
Atom O of residue 135
GLY
ASP
ASP
SER
Atom CG of residue 48
LEU
ASP
Atom CA of residue 301
Atom CB of residue 78
ALA
LEU
Atom CA of residue 105
Atom CA of residue 470
ILE
Atom CA of residue 518
Atom CA of residue 19
PRO
Atom CA of residue 35
Atom CA of residue 526
GLN
Atom C of residue 132
LEU
Atom CD2 of residue 92
Atom CG of residue 547
ARG
Atom OG1 of residue 514
Atom CA of residue 311
Atom NE of residue 13
Atom CH2 of residue 104
PRO
ARG
HIS
ILE
Atom CD of residue 483
Atom CZ of residue 64
Atom OD1 of residue 543
ASN
Atom CA of residue 74
Atom CA of residue 437
DensityMap1062
ARG
Atom CA of residue 53
Atom CA of residue 181
LEU
Atom CA of residue 292
ALA
Atom CA of residue 49
Atom CA of residue 2642
MET
TYR
Atom CA of residue 132
CYS
Atom CB of residue 62
Atom C of residue 518
Atom CA of residue 469
TYR
Atom CA of residue 2660
Atom N of residue 37
ARG
ARG
Atom CA of residue 106
Atom CA of residue 140
LYS
Atom CA of residue 116
Atom O of residue 132
GLU
Atom OH of residue 134
TRP
Atom CA of residue 325
Atom N of residue 105
Atom CB of residue 89
Atom CA of residue 51
Atom O of residue 12
Atom OE1 of residue 483
Atom ND2 of residue 543
Atom CA of residue 38
Atom CB of residue 33
Atom N of residue 139
Atom CA of residue 119
Atom CA of residue 66
Atom CA of residue 48
Atom CA of residue 87
VAL
Atom CB of residue 454
SER
VAL
Atom CA of residue 89
Atom CA of residue 294
Atom CA of residue 90
Atom C of residue 8
Atom CA of residue 9
Atom CA of residue 63
Atom CD1 of residue 87
Atom CA of residue 2677
Atom CA of residue 138
HIS
GLU
Atom CA of residue 76
Atom CG of residue 62
Atom O of residue 518
Atom CA of residue 523
Atom N of residue 119
ASN
Atom CA of residue 93
Atom N of residue 77
ARG
SER
SER
Atom C of residue 62
Atom CA of residue 559
Atom N of residue 135
Atom CA of residue 488
Atom CA of residue 154
Atom N of residue 37
GLN
Atom CB of residue 63
LEU
Atom OG of residue 89
ASN
Atom CA of residue 80
Atom CA of residue 143
Atom CB of residue 468
Atom CA of residue 520
LEU
Atom CG of residue 33
GLN
GLU
ALA
Atom CA of residue 107
Atom CA of residue 26
SER
Atom CA of residue 471
VAL
Atom OG of residue 454
Atom CG of residue 118
HIS
Atom CA of residue 450
GLU
Atom O of residue 8
Atom CZ of residue 13
ASN
Atom CA of residue 78
Atom CD2 of residue 87
Atom CD1 of residue 438
Atom C of residue 498
VAL
Atom CA of residue 254
Atom CA of residue 115
ARG
Atom CA of residue 312
Atom CA of residue 4
Atom O of residue 62
Atom CA of residue 99
ASN
LEU
Atom CG of residue 63
Atom CG of residue 468
ASP
Atom CA of residue 240
TRP
ASP
Atom CB of residue 47
Atom CA of residue 182
GLN
GLU
PHE
ALA
CYS
Atom OE1 of residue 117
Atom CA of residue 133
LYS
VAL
Atom CA of residue 19
Atom CA of residue 125
TYR
Atom CA of residue 395
HIS
Atom CA of residue 98
Atom CA of residue 76
Atom CA of residue 84
Atom CD2 of residue 438
Atom O of residue 498
Atom CB of residue 12
Atom CA of residue 63
THR
rigid bodies list
Atom CA of residue 505
Atom SD of residue 48
Atom CA of residue 62
LEU
ASN
Atom N of residue 93
Atom N of residue 65
Atom CA of residue 511
LEU
LYS
TYR
ILE
Atom CD of residue 547
SER
Atom CG2 of residue 514
Atom CG of residue 47
LEU
ILE
Atom CA of residue 295
ARG
PHE
Atom CA of residue 302
Atom C of residue 116
Atom CA of residue 139
Atom CA of residue 77
LEU
Atom CA of residue 106
PHE
Atom CA of residue 519
ASP
Atom CA of residue 36
THR
ILE
Atom CA of residue 527
Atom CD of residue 8
Atom CA of residue 39
Atom CA of residue 68
LEU
Atom CA of residue 33
MET
Atom CA of residue 155
LYS
Atom CE of residue 48
Atom CA of residue 44
Atom CB of residue 132
PRO
MET
ASP
NormalizeRotation5
UpdateRigidBodyMembers17
LYS
GLU
ALA
Atom CA of residue 43
Atom OE1 of residue 547
Atom CA of residue 472
Atom CA of residue 54
Atom OE2 of residue 483
Atom O of residue 40
Atom N of residue 515
Atom N of residue 544
Atom C of residue 93
GLY
Atom CA of residue 2
Atom CA of residue 50
Atom CA of residue 438
Atom CA of residue 2643
ARG
Atom O of residue 116
Atom CA of residue 41
Atom CA of residue 470
HIS
Atom CA of residue 2661
Atom CA of residue 16
ARG
Atom C of residue 33
Atom CA of residue 107
Atom CA of residue 313
Atom CA of residue 5
Atom C of residue 143
Atom CB of residue 518
GLU
AccumulateRigidBodyDerivatives17
Atom CA of residue 326
Atom CG1 of residue 132
Atom CD1 of residue 62
Atom C of residue 107
THR
PRO
Atom C of residue 78
GLN
Atom CA of residue 134
PHE
Atom CA of residue 120
Atom CA of residue 49
Atom CA of residue 88
Atom CG of residue 12
ARG
Atom CB of residue 572
Atom CA of residue 37
HIS
HIS
Atom O of residue 93
Atom CA of residue 117
Atom CA of residue 90
Atom CA of residue 64
TYR
Atom CA of residue 2678
Atom N of residue 90
THR
GLU
Atom CA of residue 139
Atom CA of residue 524
Atom CA of residue 2
PRO
Fit restraint internal rb map
SER
SER
Atom CA of residue 94
Atom CD2 of residue 12
Atom O of residue 40
Atom OD1 of residue 33
LEU
GLY
Atom CE1 of residue 87
Atom O of residue 143
Atom CA of residue 560
Atom CG1 of residue 518
Fit restraint internal rb map
Atom N of residue 455
Atom CA of residue 489
Atom NE of residue 8
LEU
Atom CB of residue 62
THR
Atom CA of residue 81
Atom CA of residue 521
Atom CD2 of residue 62
Atom O of residue 107
ALA
Atom CA of residue 296
Atom CA of residue 10
Atom O of residue 78
Atom CA of residue 140
Atom CA of residue 78
Atom CA of residue 119
LYS
HIS
Atom O of residue 33
PHE
Atom CA of residue 451
Atom CA of residue 77
ASP
ALA
ASP
MET
Atom CA of residue 69
Atom CD1 of residue 63
GLY
Atom NE2 of residue 117
Atom CD of residue 468
Atom CA of residue 255
Atom CA of residue 116
Atom CA of residue 156
LEU
Atom CA of residue 37
Atom OD2 of residue 33
Atom CA of residue 45
Atom N of residue 439
Atom CB of residue 498
Atom CA of residue 100
VAL
Atom CA of residue 183
Atom CG of residue 62
Atom CG of residue 118
TYR
CYS
Atom CA of residue 241
Atom CA of residue 150
Atom CA of residue 170
Atom CA of residue 473
GLU
GLY
SER
LEU
GLU
TRP
Atom C of residue 33
VAL
Atom CA of residue 20
Atom CA of residue 126
LYS
Atom CA of residue 396
VAL
Atom CA of residue 99
Atom CA of residue 314
Atom N of residue 13
Atom CD2 of residue 63
Atom CZ of residue 147
Atom CA of residue 77
Atom CE of residue 468
Atom N of residue 484
Atom CD of residue 47
Atom CA of residue 506
Atom CA of residue 63
ALA
Atom CG of residue 498
Atom CA of residue 454
ALA
ILE
Atom N of residue 49
Atom CA of residue 512
ASN
Atom CA of residue 135
GLU
LEU
GLU
PRO
GLU
GLN
Atom CD of residue 12
Atom CB of residue 33
Atom CA of residue 104
ILE
Atom CA of residue 35
PHE
PRO
GLU
Atom CA of residue 303
Atom CA of residue 86
Atom O of residue 33
LYS
Atom NE2 of residue 547
Atom CA of residue 107
GLN
Atom CA of residue 520
ARG
ASN
Atom CA of residue 53
ARG
Atom CA of residue 528
Atom OE1 of residue 11
Atom CA of residue 40
PRO
Atom CB of residue 116
LEU
Atom CA of residue 93
ALA
ALA
Atom NE of residue 47
Atom CA of residue 105
LEU
GLY
PHE
Atom C of residue 37
Atom OG of residue 568
Atom CA of residue 297
GLU
Atom CE2 of residue 87
Atom CA of residue 74
Atom C of residue 139
Atom CA of residue 79
Atom CA of residue 44
Atom CA of residue 135
Chain C
Atom CA of residue 55
PRO
PHE
ARG
Atom CA of residue 70
Atom CA of residue 51
Atom CA of residue 439
Atom CA of residue 2644
ILE
Atom CG2 of residue 132
Atom CA of residue 42
Atom C of residue 568
Atom CA of residue 471
ILE
LEU
Atom CA of residue 65
Atom CA of residue 108
GLN
1tyq_A.pdb
Atom CB of residue 93
Atom CA of residue 157
ALA
Atom CG1 of residue 116
ASP
Atom CA of residue 17
Atom CA of residue 327
Atom N of residue 118
Atom CB of residue 143
THR
Atom C of residue 119
Atom CA of residue 474
Atom O of residue 37
Atom CG of residue 33
Atom CA of residue 544
Atom C of residue 77
Atom CA of residue 46
Atom CZ of residue 87
Atom O of residue 139
Atom CA of residue 121
Atom CA of residue 50
Atom N of residue 63
Atom CG2 of residue 518
Atom CA of residue 89
Atom CB of residue 107
SER
rigid bodies list
ASP
Atom CA of residue 315
Atom CA of residue 91
Atom CA of residue 95
Atom C of residue 37
Atom CA of residue 65
Atom CB of residue 78
Atom CA of residue 2679
Atom CD1 of residue 132
PRO
Atom CA of residue 525
Atom CA of residue 16
Atom CG of residue 93
SER
ARG
Atom CA of residue 90
Atom CA of residue 561
Atom OE1 of residue 12
ILE
Atom CA of residue 490
SER
HIS
GLN
Atom N of residue 34
PHE
Atom CA of residue 82
GLU
Atom CG of residue 143
Atom CA of residue 136
PRO
Atom CA of residue 522
NullModifier5
Atom O of residue 119
Atom CA of residue 455
Atom O of residue 77
ARG
Atom NE2 of residue 11
SER
ASP
GLN
Atom N of residue 519
Atom CG1 of residue 107
ASP
MET
ALA
Atom CA of residue 515
Atom CA of residue 452
LYS
Atom O of residue 37
Atom CG of residue 78
Atom SD of residue 62
Atom CA of residue 171
Atom CA of residue 256
Atom CA of residue 117
Atom CA of residue 13
Atom N of residue 64
Atom NZ of residue 468
Atom CA of residue 101
Atom N of residue 548
LEU
Atom CD of residue 33
Atom CA of residue 184
Atom CA of residue 298
PRO
GLY
LYS
Atom CA of residue 80
ALA
Atom CA of residue 242
GLY
1z5s.pdb rigid body
ASP
Atom CA of residue 71
TYR
ALA
GLN
GLU
Atom SD of residue 498
Atom C of residue 93
SER
Atom CA of residue 21
Atom CA of residue 127
Atom CA of residue 397
MET
LYS
Atom CA of residue 100
GLN
Atom CA of residue 21
MET
Atom CE of residue 62
Atom C of residue 105
Atom CA of residue 78
Atom CA of residue 439
Atom CB of residue 33
ASP
Atom CA of residue 507
Atom C of residue 13
LEU
PHE
Atom CA of residue 64
ILE
GLN
Atom CA of residue 475
Atom CZ of residue 47
TYR
Atom CA of residue 514
ASN
SER
SER
TYR
Fit restraint
Atom C of residue 65
Atom CA of residue 316
Atom CA of residue 105
GLY
SER
LEU
THR
Atom CA of residue 304
Atom CA of residue 75
Atom CA of residue 87
Atom CE of residue 498
SER
Atom O of residue 93
Atom CA of residue 108
SER
Atom CA of residue 521
Atom C of residue 13
Atom CA of residue 484
MET
Atom CA of residue 529
Atom O of residue 105
ALA
Atom CG of residue 33
VAL
Atom NE of residue 33
Atom C of residue 544
GLU
Atom CA of residue 22
Atom CA of residue 49
PHE
Atom CA of residue 137
PRO
LEU
Atom O of residue 62
SER
Atom OH of residue 87
Atom CG2 of residue 116
THR
Atom CA of residue 45
PRO
Atom CA of residue 433
Atom CA of residue 56
Atom CB of residue 37
Atom O of residue 65
Atom O of residue 9
Atom CA of residue 52
Atom CA of residue 440
Atom CA of residue 2645
VAL
Atom C of residue 90
Atom CG of residue 149
Atom CB of residue 139
Atom CA of residue 472
LYS
Atom N of residue 12
VAL
Atom CA of residue 109
Atom CA of residue 38
Atom CA of residue 158
Atom CD of residue 13
Atom CA of residue 50
Atom N of residue 133
LYS
Atom C of residue 455
Atom CA of residue 18
Atom O of residue 544
Atom CA of residue 299
Atom CA of residue 328
Atom CA of residue 81
Atom C of residue 515
Atom OD1 of residue 93
LEU
Atom CA of residue 72
Atom N of residue 88
Atom CD1 of residue 116
Atom N of residue 469
Atom CA of residue 122
Atom CA of residue 51
Atom CA of residue 90
Atom CB of residue 119
Atom CA of residue 141
PRO
Atom CG of residue 37
GLU
Atom CB of residue 77
Atom CA of residue 92
Atom CA of residue 96
Atom CA of residue 66
Atom CA of residue 2680
Atom O of residue 90
Atom CD of residue 143
LYS
Atom CG of residue 139
HIS
Atom CA of residue 526
Atom CZ of residue 33
PHE
Atom CB of residue 37
Atom CB of residue 40
PHE
PRO
Atom CA of residue 118
Atom CA of residue 562
TYR
Atom CG2 of residue 107
Atom O of residue 455
LEU
Atom CA of residue 491
Atom CA of residue 3
VAL
Atom CD of residue 78
Atom CA of residue 83
Atom CA of residue 523
Atom CA of residue 63
Atom O of residue 515
Atom OD2 of residue 93
Atom CA of residue 317
PRO
Atom CA of residue 5
Atom O of residue 6
CYS
SampledDensityMap82
VAL
Atom C of residue 439
VAL
Atom CA of residue 29
Atom CG1 of residue 119
SER
GLY
Atom NH1 of residue 47
Atom CG of residue 77
VAL
Atom NE of residue 13
Atom CE of residue 76
Atom OE1 of residue 143
Atom CA of residue 172
Atom CA of residue 257
Atom CA of residue 2663
Atom CA of residue 118
VAL
ARG
Atom CG of residue 37
PHE
Atom CA of residue 34
Atom N of residue 63
Atom CA of residue 138
LEU
Atom CA of residue 102
Atom CD1 of residue 107
Atom CA of residue 185
PRO
Atom CE of residue 78
LYS
ILE
Atom CA of residue 243
ARG
ASP
GLY
Atom C of residue 484
Atom CB of residue 6
CYS
PHE
LYS
Atom O of residue 439
ALA
Atom CA of residue 22
GLU
Atom CA of residue 128
Atom CD2 of residue 62
Atom CA of residue 398
SER
VAL
Atom NH2 of residue 47
Atom CA of residue 101
VAL
Atom C of residue 49
Atom CA of residue 64
Atom CA of residue 79
Atom N of residue 499
Atom CB of residue 93
Atom CA of residue 548
LEU
Atom CA of residue 508
Atom CA of residue 300
Atom CA of residue 15
Atom CA of residue 65
LEU
Atom CB of residue 105
Atom CA of residue 515
Atom CA of residue 82
LEU
GLY
Atom CA of residue 73
GLU
Atom CD of residue 33
TYR
GLY
PHE
Atom CA of residue 3
Atom CA of residue 142
Atom O of residue 484
Atom CA of residue 106
LEU
ILE
Atom CZ of residue 13
Atom CG of residue 6
PHE
ALA
Atom CA of residue 305
Atom CA of residue 76
Atom CA of residue 88
Atom CA of residue 519
GLU
Atom CA of residue 109
SER
Atom CA of residue 522
Atom NH1 of residue 33
ALA
Atom CB of residue 65
Atom CA of residue 530
Atom O of residue 49
PHE
CYS
GLN
Atom CG of residue 93
GLN
ALA
Atom CA of residue 23
Atom CG of residue 105
HIS
LEU
Atom CB of residue 544
Atom CA of residue 318
Atom CA of residue 51
Atom CA of residue 46
THR
Atom NE of residue 33
Atom N of residue 9
Atom CA of residue 434
Atom CA of residue 57
Atom CA of residue 85
PRO
Atom CA of residue 449
Atom CA of residue 2662
ILE
Atom N of residue 117
Atom C of residue 118
Atom CA of residue 473
CYS
ARG
LYS
Atom CG of residue 65
Atom CA of residue 110
Atom CA of residue 39
Atom CA of residue 159
VAL
Atom N of residue 91
Atom CA of residue 139
Atom CD2 of residue 575
PHE
Atom C of residue 63
ASP
Atom CA of residue 19
Atom OD1 of residue 37
PRO
Atom CA of residue 329
Atom CD of residue 139
VAL
Atom CA of residue 517
Atom CB of residue 455
Atom CG of residue 544
Atom CA of residue 123
Atom CA of residue 52
Atom CA of residue 91
LEU
PHE
Atom NH2 of residue 33
Atom CB of residue 515
ALA
Atom N of residue 94
Atom CA of residue 93
Atom CA of residue 97
Atom CA of residue 67
Atom C of residue 34
GLU
Atom CA of residue 441
Atom CA of residue 2681
ASN
GLN
Atom CA of residue 133
Atom O of residue 118
GLU
Atom CA of residue 527
ASN
Atom CA of residue 301
LEU
THR
ARG
Atom OE2 of residue 143
Atom CA of residue 563
Atom CA of residue 83
Atom O of residue 63
Atom CG2 of residue 119
GLY
Atom ND2 of residue 37
Atom CA of residue 492
Atom CD of residue 77
SER
ALA
Atom CA of residue 74
SER
Atom CA of residue 84
Atom OE1 of residue 139
Atom CA of residue 469
Atom CA of residue 524
Atom N of residue 108
Atom CA of residue 143
Atom CG1 of residue 455
ALA
Atom NH1 of residue 13
Atom OD1 of residue 37
Atom C of residue 64
Atom NZ of residue 78
LYS
ILE
Atom CA of residue 30
Atom C of residue 548
ILE
LEU
Atom CG of residue 515
Atom N of residue 48
ILE
LYS
Atom O of residue 34
Atom NZ of residue 76
Atom C of residue 150
PRO
Atom CB of residue 439
GLN
Atom CA of residue 173
Atom CA of residue 258
Atom CA of residue 2664
Atom CA of residue 119
Atom CG of residue 8
GLY
Atom O of residue 146
Atom CA of residue 103
Atom N of residue 120
MET
Atom CA of residue 186
Atom NE of residue 77
Atom CA of residue 319
MET
PRO
Atom C of residue 519
THR
Atom CA of residue 244
VAL
LEU
Atom N of residue 34
Atom ND2 of residue 37
Atom O of residue 64
Atom CD2 of residue 116
SER
Atom O of residue 548
PHE
Atom CA of residue 23
Atom CA of residue 129
Atom CB of residue 484
Atom CA of residue 399
ASP
LYS
MET
Atom CA of residue 102
GLY
ASP
Atom CA of residue 63
Atom CA of residue 80
Atom N of residue 440
Atom CA of residue 140
HIS
ARG
Atom CA of residue 509
Atom CB of residue 49
LYS
Atom CA of residue 66
Atom CA of residue 516
GLU
LEU
Atom CA of residue 2
ARG
Atom NH2 of residue 13
Fit restraint scratch map
PRO
CYS
Atom O of residue 519
THR
Atom OD1 of residue 93
VAL
Atom CA of residue 107
ASP
LEU
Atom CA of residue 34
GLU
Atom CD of residue 105
VAL
ALA
Atom CA of residue 306
Atom CA of residue 77
Atom CA of residue 89
Atom CZ of residue 33
Atom CA of residue 499
ASP
Atom CA of residue 110
GLU
Atom CA of residue 523
Atom N of residue 485
PRO
Atom CA of residue 531
Atom CA of residue 88
VAL
Atom CA of residue 84
1z5s.pdb
ASP
HIS
LeavesRefiner2
Atom CA of residue 24
Atom CG of residue 49
Atom CA of residue 75
PRO
LYS
Atom CA of residue 144
LEU
Atom CD of residue 65
Atom CA of residue 52
Atom C of residue 133
Atom N of residue 144
Atom CA of residue 47
LYS
Atom OD2 of residue 93
Atom CB of residue 22
Atom CA of residue 435
Atom CA of residue 58
Atom CA of residue 302
Atom OE1 of residue 105
GLU
Atom CA of residue 91
ASN
Atom CA of residue 474
SER
PRO
VAL
Atom CA of residue 111
Atom CA of residue 40
Atom ND1 of residue 544
Atom CA of residue 160
NormalizeRotation2
Atom N of residue 79
Atom CB of residue 118
Atom C of residue 469
TRP
Chain A
Atom CA of residue 320
Atom N of residue 14
Atom CA of residue 330
Atom CA of residue 442
Atom CB of residue 63
Atom CA of residue 20
Atom N of residue 38
Atom CA of residue 34
Atom CE of residue 65
ILE
Atom O of residue 116
Atom CA of residue 117
Atom O of residue 133
TYR
Atom NE2 of residue 139
Atom CA of residue 124
Atom CA of residue 85
Atom CA of residue 92
GLY
ASP
Atom CA of residue 94
Atom CA of residue 98
Atom CA of residue 68
Atom CA of residue 2682
Atom CA of residue 2647
LEU
Atom CA of residue 141
PRO
Atom CA of residue 528
VAL
Atom CG2 of residue 455
Atom CD2 of residue 544
SER
Atom CA of residue 19
CYS
Atom N of residue 35
PHE
HIS
LEU
Atom CG of residue 118
Atom CA of residue 564
Atom O of residue 469
TYR
Atom CA of residue 493
Atom CD of residue 515
PHE
Atom CA of residue 85
Atom CA of residue 525
Atom CG of residue 63
LEU
LEU
LEU
Atom CA of residue 329
Atom CA of residue 94
Atom CZ of residue 77
ILE
Atom C of residue 63
PHE
GLU
Atom CD of residue 146
Atom CA of residue 31
GLU
VAL
LEU
Atom CG of residue 22
ALA
Atom N of residue 6
Atom N of residue 38
Atom CB of residue 64
Atom CA of residue 54
Atom CA of residue 85
Atom CB of residue 548
Atom CA of residue 174
Atom CA of residue 259
Atom CA of residue 477
Atom N of residue 456
Atom CA of residue 2665
Atom CA of residue 120
THR
Atom CA of residue 10
THR
PHE
Atom CA of residue 76
THR
Atom NH1 of residue 33
Atom CA of residue 104
Atom CA of residue 108
Atom CA of residue 145
Atom NE of residue 515
Atom O of residue 63
LEU
PHE
GLY
Atom C of residue 499
Atom CA of residue 245
SER
PHE
GLU
Atom O of residue 63
Atom C of residue 88
ARG
Atom CB of residue 519
LEU
Atom CA of residue 24
Atom CA of residue 130
Atom CA of residue 400
GLU
MET
Atom CA of residue 103
GLU
LEU
Atom CG of residue 64
Atom CA of residue 81
Atom CG of residue 548
GLY
Atom CA of residue 321
Atom CA of residue 510
Atom C of residue 10
Atom CA of residue 36
Atom CA of residue 67
SER
Atom CA of residue 517
Atom NH2 of residue 33
THR
Atom CA of residue 48
THR
Atom C of residue 91
ASN
Atom O of residue 499
VAL
ARG
Atom CA of residue 108
ILE
Atom CA of residue 23
GLU
Atom CD of residue 49
GLY
Atom O of residue 88
LYS
LEU
Atom CA of residue 78
Atom CA of residue 90
Atom CA of residue 142
ASN
Atom CG of residue 519
LYS
Atom N of residue 94
SER
ILE
Atom CA of residue 524
SER
LEU
Atom CA of residue 532
LYS
Atom OE2 of residue 105
Atom N of residue 140
THR
GLU
ALA
Atom C of residue 34
Atom CA of residue 25
Atom C of residue 117
ASN
SER
Atom CA of residue 120
Atom CA of residue 330
Atom CZ of residue 8
Atom CB of residue 117
Atom CA of residue 53
Atom CA of residue 314
Atom O of residue 91
Atom CA of residue 48
ASN
Atom CD1 of residue 22
Atom CA of residue 436
Atom CA of residue 59
Atom NZ of residue 65
Atom CA of residue 303
Atom OE1 of residue 49
ARG
Atom CB of residue 133
Atom CA of residue 86
ILE
Atom CA of residue 475
LYS
Atom CA of residue 478
ASP
LEU
Atom CA of residue 112
Atom CA of residue 41
Atom NH1 of residue 77
LYS
Atom CA of residue 161
Atom O of residue 10
MET
Atom CA of residue 77
Atom NE of residue 115
ASN
ARG
Atom CA of residue 146
Atom C of residue 40
Atom O of residue 34
Atom CE1 of residue 544
Atom C of residue 94
Atom CA of residue 331
Atom CA of residue 443
Atom O of residue 117
Atom CA of residue 144
Atom CB of residue 469
Atom CA of residue 21
LYS
GLU
GLU
Atom CD of residue 118
VAL
Atom CA of residue 125
Atom CA of residue 93
ASN
Atom CA of residue 485
Atom CG of residue 76
Atom CA of residue 11
ARG
Atom CA of residue 95
Atom CA of residue 99
Atom CA of residue 69
Atom CA of residue 35
Atom CA of residue 79
Atom CA of residue 2683
Atom CA of residue 2648
Atom CG of residue 133
GLY
Atom CA of residue 440
Atom CD of residue 63
Atom CA of residue 529
Atom C of residue 108
Atom NH2 of residue 77
Atom CA of residue 322
ASN
Atom CA of residue 37
GLU
LEU
Atom CA of residue 565
LYS
LEU
Atom CA of residue 38
Atom CA of residue 494
ALA
Atom CB of residue 568
Atom O of residue 94
GLY
Atom CA of residue 86
Atom CG1 of residue 469
Atom CA of residue 526
ALA
Atom CZ of residue 515
THR
Atom CA of residue 24
Atom CA of residue 9
Atom C of residue 40
Atom CA of residue 13
GLU
Atom OE1 of residue 118
VAL
Atom CA of residue 143
VAL
Atom CA of residue 32
LYS
SER
ILE
Atom CB of residue 10
PHE
Atom CA of residue 55
Atom CB of residue 63
Atom OE1 of residue 63
Atom O of residue 108
Atom CA of residue 175
Atom CA of residue 260
Atom CA of residue 2666
Atom CA of residue 121
Atom C of residue 48
Atom N of residue 34
Atom CA of residue 105
Atom CD2 of residue 22
Atom CA of residue 331
Atom CD1 of residue 64
VAL
Atom N of residue 106
LYS
Atom CA of residue 246
Atom CD of residue 548
THR
LYS
Atom C of residue 571
LEU
VAL
Atom NH1 of residue 8
Atom CA of residue 38
Atom CA of residue 508
Atom CA of residue 87
Atom CB of residue 499
Atom CA of residue 54
LYS
Atom CA of residue 25
Atom CA of residue 479
Atom CA of residue 131
Atom CA of residue 401
VAL
THR
Atom CA of residue 104
PRO
ARG
ASN
Atom CA of residue 78
Atom CG of residue 63
Atom CB of residue 88
Atom CA of residue 82
Atom C of residue 120
PRO
Atom N of residue 66
Atom O of residue 48
Atom CA of residue 511
Atom CA of residue 68
PRO
Atom CA of residue 518
LEU
Atom ND1 of residue 519
Atom CD2 of residue 64
HIS
Atom C of residue 149
GLU
ILE
CYS
PRO
Atom OE1 of residue 548
Atom NE2 of residue 544
Atom CA of residue 109
ASN
GLU
Atom CG of residue 10
GLN
LYS
ALA
Atom CB of residue 91
Atom CA of residue 79
Atom CA of residue 91
Atom CG of residue 499
VAL
TYR
Atom CA of residue 525
CYS
LEU
Atom CA of residue 348
Atom CA of residue 533
Atom CA of residue 38
Atom OE2 of residue 49
Atom CG of residue 88
Atom C of residue 144
Atom C of residue 440
LYS
Atom O of residue 120
Atom CA of residue 456
VAL
Atom CB of residue 34
ASP
ARG
ARG
VAL
GLU
Atom CD2 of residue 519
Atom C of residue 485
Atom C of residue 35
Atom C of residue 79
Atom CA of residue 54
Atom CA of residue 315
Atom CA of residue 144
TYR
Atom CA of residue 49
PRO
Atom CA of residue 94
Atom CA of residue 147
VAL
Atom CA of residue 437
Atom CA of residue 60
Atom N of residue 545
Atom CA of residue 304
GLU
GLN
Atom OG1 of residue 91
Atom CA of residue 140
Atom CA of residue 476
ALA
Atom CE1 of residue 22
TYR
Atom C of residue 38
LYS
Atom NH1 of residue 515
Atom CA of residue 113
Atom CA of residue 42
Atom CA of residue 8
Atom N of residue 78
Atom CA of residue 162
Atom N of residue 62
Atom O of residue 144
Atom O of residue 440
PRO
Atom CG of residue 34
Atom CA of residue 332
Atom CA of residue 444
Atom CD of residue 133
Atom O of residue 485
Atom CA of residue 22
Atom CB of residue 94
Atom SD of residue 10
Atom NH2 of residue 8
Atom O of residue 35
Atom O of residue 79
VAL
Atom CA of residue 88
Atom CA of residue 126
ARG
Atom CA of residue 94
Atom CA of residue 480
Atom CA of residue 198
TRP
GLU
Atom CA of residue 96
Atom CA of residue 100
LEU
Atom CA of residue 70
Atom CA of residue 79
Atom CA of residue 2684
Atom CA of residue 2649
Atom OE2 of residue 118
MET
Atom CG2 of residue 469
Atom CA of residue 530
Atom O of residue 38
Atom NH2 of residue 515
LYS
Atom CA of residue 25
THR
GLY
VAL
Atom CA of residue 566
Atom NE2 of residue 63
Atom CB of residue 108
LEU
Atom CA of residue 495
Atom C of residue 38
Atom CA of residue 26
ILE
Atom C of residue 508
Atom N of residue 134
Atom CA of residue 87
TYR
Atom CA of residue 527
ASP
Atom CG1 of residue 94
ILE
PRO
TYR
Atom CA of residue 33
SER
LYS
Atom CA of residue 349
ALA
Atom CA of residue 56
Atom C of residue 117
Atom N of residue 470
Atom CA of residue 176
Atom CA of residue 261
Atom CA of residue 2667
Atom CA of residue 122
Atom CA of residue 106
Atom OG1 of residue 108
Atom CB of residue 48
Atom CE of residue 10
Atom CA of residue 39
Atom O of residue 38
Atom N of residue 50
ASP
Atom CD1 of residue 63
Atom O of residue 508
Atom CA of residue 145
PRO
LYS
Atom CA of residue 247
ARG
PHE
Atom N of residue 41
LEU
Atom CD1 of residue 77
ILE
PRO
Atom CE1 of residue 64
Atom CA of residue 55
Atom NE2 of residue 548
VAL
Atom CA of residue 26
Atom C of residue 456
PHE
Atom CA of residue 402
GLU
THR
Atom CA of residue 105
THR
Atom CA of residue 83
ARG
Atom CA of residue 512
Atom CA of residue 69
GLU
Atom CA of residue 106
Atom CA of residue 519
Atom CD of residue 499
Atom C of residue 94
Atom CB of residue 120
Atom CG of residue 48
ARG
Atom CD2 of residue 63
Atom CD of residue 88
Atom C of residue 140
Atom CA of residue 89
Atom CE1 of residue 519
LEU
GLY
Atom CA of residue 481
Atom CE2 of residue 22
Atom CA of residue 199
MET
THR
Atom CA of residue 110
LYS
ASP
Atom NH1 of residue 13
ARG
Atom CA of residue 80
Atom CD of residue 76
LEU
THR
Atom CA of residue 80
Atom CA of residue 92
Atom CA of residue 34
LYS
Atom CA of residue 568
GLY
Atom CA of residue 526
Atom O of residue 456
GLU
Atom CA of residue 66
SER
Atom CA of residue 534
PRO
Atom N of residue 11
Atom CG2 of residue 91
TYR
Atom N of residue 119
Atom CB of residue 144
Atom CB of residue 440
GLU
Atom OE1 of residue 499
ASP
Atom O of residue 94
Atom CG of residue 120
Fit restraint
Atom CA of residue 55
Atom N of residue 89
Atom CA of residue 316
Atom O of residue 140
THR
Atom N of residue 64
Atom N of residue 571
Atom CA of residue 148
Atom CA of residue 61
Atom CB of residue 485
ASN
Atom CA of residue 350
Atom CA of residue 305
Atom CB of residue 38
Atom CB of residue 35
Atom CB of residue 79
GLY
Atom CA of residue 477
TYR
Atom CA of residue 438
VAL
ASP
Atom N of residue 516
Atom CA of residue 114
Atom CA of residue 43
Atom CA of residue 163
Atom CA of residue 66
ALA
Atom CB of residue 38
Atom CD of residue 19
THR
MET
Atom CA of residue 333
Atom CA of residue 445
Atom N of residue 92
LEU
Atom CG of residue 144
Atom CG of residue 440
Atom CA of residue 146
SER
LYS
Atom CA of residue 23
Atom O of residue 118
Atom NH2 of residue 13
PRO
GLY
GLN
MET
Atom CA of residue 95
Atom CZ of residue 22
Atom OG1 of residue 485
GLU
Atom CA of residue 97
Atom CA of residue 101
LYS
Atom CA of residue 71
Atom OG1 of residue 35
Atom CG of residue 79
Atom CA of residue 2685
Atom CA of residue 2650
GLU
Atom CA of residue 531
LEU
Atom CG2 of residue 94
PHE
TYR
Atom CE2 of residue 64
HIS
Atom CA of residue 567
VAL
Atom N of residue 549
Atom CG of residue 38
Atom OE1 of residue 19
Atom CA of residue 34
ASN
Atom CA of residue 88
Atom CA of residue 239
Atom CA of residue 90
Atom CA of residue 528
Atom CA of residue 18
Atom CA of residue 482
LEU
Atom CA of residue 200
Atom CA of residue 78
GLY
LYS
Atom CA of residue 81
Atom CB of residue 508
PRO
GLN
Atom CA of residue 101
Atom CG2 of residue 108
GLU
ASN
Atom CA of residue 57
Atom C of residue 106
SampledDensityMap83
Atom NE2 of residue 519
Atom CA of residue 177
Atom CA of residue 262
Atom CB of residue 13
PRO
Atom CA of residue 2668
Atom CA of residue 123
Atom CD1 of residue 94
Atom O of residue 11
Atom CZ of residue 64
LYS
Atom CA of residue 107
ASP
Atom CA of residue 545
Atom CA of residue 40
SER
LYS
Atom C of residue 34
Atom CA of residue 248
Atom CA of residue 11
VAL
ARG
ARG
Atom C of residue 66
VAL
Atom CA of residue 351
GLN
Atom CA of residue 27
Atom N of residue 64
Atom CG of residue 508
Atom CA of residue 56
Atom N of residue 109
SER
Atom CA of residue 27
LEU
Atom CA of residue 403
ARG
HIS
Atom SD of residue 48
Atom CA of residue 106
LEU
Atom O of residue 106
Atom CA of residue 84
Atom N of residue 520
GLY
Atom CB of residue 456
Atom CA of residue 513
Atom N of residue 14
Atom CA of residue 50
LYS
Atom CA of residue 520
Atom CA of residue 147
GLY
Atom CA of residue 52
ASP
Atom CA of residue 18
LEU
Atom CA of residue 134
Atom CA of residue 43
Atom O of residue 34
Atom NE2 of residue 499
LYS
SER
Atom CB of residue 94
GLU
Model 7
Atom O of residue 66
Atom CA of residue 111
VAL
LYS
ILE
PHE
SER
ASN
LYS
Atom CA of residue 81
Atom CA of residue 93
Atom CB of residue 140
ALA
Atom CA of residue 7
Atom CD1 of residue 120
GLY
Atom CA of residue 527
Atom CG of residue 13
ALA
Atom CE of residue 48
Atom CA of residue 535
Atom CB of residue 11
ASN
Atom CA of residue 470
Atom CG of residue 456
PRO
Atom CA of residue 91
LYS
Atom CA of residue 483
Atom CA of residue 201
PRO
Atom CA of residue 22
LYS
Atom CA of residue 82
Atom CA of residue 56
VAL
Atom N of residue 572
Atom CA of residue 104
Atom CG1 of residue 94
Atom CA of residue 149
Atom CA of residue 62
Atom CA of residue 576
Atom CA of residue 306
VAL
Atom CD1 of residue 144
Atom CG of residue 140
Atom CD1 of residue 440
SER
Atom CD2 of residue 120
Atom CA of residue 478
ILE
Atom CA of residue 439
SER
VAL
Atom CA of residue 115
Atom CA of residue 44
Atom CA of residue 164
Atom CA of residue 446
Atom CA of residue 119
ARG
ILE
Atom CG2 of residue 485
Atom C of residue 78
Atom CG2 of residue 35
Atom ND1 of residue 79
Atom CA of residue 446
Atom CA of residue 64
Atom CA of residue 32
Atom OE2 of residue 19
LEU
Atom CA of residue 7
Atom CA of residue 352
GLY
ARG
Atom CA of residue 96
PHE
Atom CD1 of residue 38
HIS
Atom CA of residue 98
Atom CA of residue 102
Atom CG of residue 11
PRO
VAL
Atom CA of residue 72
Atom CA of residue 2686
Atom CA of residue 2651
Atom CD2 of residue 144
GLU
Atom CD2 of residue 440
Atom CA of residue 532
Atom C of residue 545
LEU
Atom N of residue 65
MET
Atom CA of residue 568
Atom CA of residue 148
THR
PRO
GLU
Atom N of residue 486
Atom N of residue 95
Atom O of residue 78
Atom N of residue 36
Atom CD2 of residue 79
Atom CA of residue 89
Atom CA of residue 240
CYS
Atom CA of residue 529
Atom CA of residue 24
Atom CA of residue 516
ALA
GLN
Atom CA of residue 89
LEU
GLU
Atom CA of residue 105
ILE
ASP
Atom CD of residue 13
Atom CD2 of residue 38
LEU
Atom C of residue 50
PHE
Atom CA of residue 58
Atom N of residue 500
MET
ILE
Atom CA of residue 549
Atom CA of residue 178
Atom CA of residue 263
Atom CA of residue 2669
Atom CA of residue 124
Atom O of residue 545
ALA
LYS
Atom CB of residue 106
Atom OD1 of residue 508
Atom C of residue 134
Atom CA of residue 92
Atom CA of residue 108
Atom CA of residue 484
Atom CA of residue 202
ASN
ILE
TRP
ILE
LEU
Atom CE of residue 76
Atom CA of residue 92
VAL
Atom CA of residue 249
ARG
MET
PHE
Atom CA of residue 4
ASN
Atom CD1 of residue 11
Atom C of residue 470
Atom CB of residue 34
Atom CA of residue 57
SER
Atom CA of residue 28
Atom CD1 of residue 9
ALA
Atom CA of residue 404
Atom CB of residue 66
ARG
LEU
Atom CA of residue 107
THR
Atom CA of residue 22
Atom CA of residue 28
Atom O of residue 50
VAL
LYS
GLY
Atom N of residue 49
Atom CA of residue 514
Atom CA of residue 83
LEU
Atom CG of residue 106
Atom ND2 of residue 508
Atom CA of residue 521
Atom O of residue 134
Atom CA of residue 53
GLY
ASP
Atom CA of residue 353
Atom O of residue 13
Atom CA of residue 64
Atom CA of residue 44
PRO
ILE
ASP
Atom CD1 of residue 456
Atom CA of residue 112
HIS
ASP
ALA
GLY
LEU
Atom CA of residue 82
Atom C of residue 119
Atom CA of residue 86
Atom CA of residue 94
Atom O of residue 470
Atom CG of residue 34
ILE
LEU
Atom CA of residue 528
Atom N of residue 20
ILE
Atom CG of residue 66
Atom CA of residue 536
SER
Atom CA of residue 149
VAL
Atom C of residue 64
Atom CZ of residue 575
Atom CG2 of residue 94
Atom N of residue 121
ALA
GLU
Atom CA of residue 447
SER
Atom OD1 of residue 140
VAL
Atom CA of residue 6
Atom CA of residue 23
Atom CD2 of residue 11
Atom CA of residue 106
Atom CA of residue 150
Atom CD2 of residue 456
Atom CA of residue 63
Atom CA of residue 307
PRO
Atom CA of residue 61
Atom O of residue 119
Atom CB of residue 150
Atom CA of residue 109
Atom CA of residue 479
HIS
Atom CA of residue 440
GLU
SER
GLU
Atom CA of residue 116
Atom CA of residue 45
Atom CA of residue 165
Atom CE1 of residue 144
Atom CE1 of residue 440
Atom CA of residue 93
Atom O of residue 64
THR
Atom CD1 of residue 94
LYS
Atom CA of residue 485
Atom C of residue 516
Atom CA of residue 203
PHE
Atom C of residue 89
Atom CA of residue 447
Atom ND2 of residue 140
Atom CD2 of residue 9
VAL
Atom CB of residue 78
python stream rigid body rigid body positions
Atom CD1 of residue 6
MET
Atom CE1 of residue 79
VAL
Atom CA of residue 520
Atom CA of residue 97
Atom C of residue 549
VAL
Atom CA of residue 99
Atom CA of residue 103
PHE
Atom CA of residue 73
Atom CA of residue 2687
Atom CA of residue 2652
ARG
Atom N of residue 151
Atom CA of residue 533
Atom CA of residue 4
Atom CA of residue 25
Atom N of residue 39
THR
Atom CA of residue 16
Atom C of residue 92
GLY
Atom C of residue 146
Atom C of residue 574
Atom CA of residue 569
TRP
Atom O of residue 516
ALA
Atom CB of residue 545
Atom CA of residue 354
Atom CE1 of residue 11
Atom O of residue 89
Atom CA of residue 90
ALA
Atom CA of residue 530
ALA
Atom CG of residue 78
ILE
SampledDensityMap0
PHE
ASP
GLN
Atom CA of residue 241
Atom O of residue 549
LYS
TYR
Atom CA of residue 59
Atom CA of residue 150
CYS
Atom CA of residue 179
Atom CA of residue 264
Atom CA of residue 2670
ARG
MET
Atom CA of residue 125
CYS
Atom CA of residue 95
Atom CB of residue 50
ILE
Atom C of residue 64
Atom O of residue 92
Atom CA of residue 109
Atom CG of residue 545
LYS
Atom N of residue 509
Atom N of residue 135
Atom CA of residue 107
Atom CA of residue 250
ALA
LEU
CYS
Chain A
Atom CA of residue 65
VAL
Atom ND1 of residue 106
TYR
Atom CA of residue 500
Atom CA of residue 58
GLN
VAL
Atom CA of residue 29
PHE
Atom CA of residue 405
LEU
LYS
Atom C of residue 62
Atom CA of residue 108
GLY
Atom CA of residue 23
Atom CB of residue 470
Atom CA of residue 94
ASP
ARG
THR
Atom N of residue 10
Atom CA of residue 204
VAL
Atom CA of residue 515
Atom CA of residue 12
Atom CD2 of residue 6
Atom CG of residue 50
Atom O of residue 64
LEU
Atom CA of residue 522
Atom CA of residue 54
Atom CD1 of residue 34
Atom CA of residue 486
Atom OD1 of residue 66
Atom CA of residue 36
SER
LEU
Atom CE2 of residue 144
Atom CE2 of residue 440
Atom CA of residue 45
LEU
Atom C of residue 109
GLU
Atom CA of residue 113
ASP
TRP
ASP
SER
Atom CD2 of residue 106
LYS
LYS
Atom CA of residue 83
Atom CA of residue 87
Atom CA of residue 95
ALA
Atom CA of residue 151
ALA
Atom C of residue 135
GLN
Atom CA of residue 529
Atom N of residue 457
VAL
Atom CA of residue 49
Atom CA of residue 537
TRP
Atom NE2 of residue 79
Atom CB of residue 119
ALA
Atom CG1 of residue 470
Atom CA of residue 20
THR
Atom CA of residue 33
Atom CA of residue 355
Atom CE2 of residue 11
Atom CA of residue 448
GLY
Atom CD2 of residue 34
LYS
ILE
Atom CB of residue 64
Atom C of residue 520
Atom N of residue 95
Atom CA of residue 1
Atom CA of residue 486
Atom OD2 of residue 66
Atom CA of residue 24
Atom CZ of residue 144
Atom N of residue 141
Atom CZ of residue 440
Atom O of residue 109
Atom CA of residue 151
Atom CA of residue 64
Atom CA of residue 20
Atom CA of residue 308
MET
Atom CA of residue 62
Atom CA of residue 151
LEU
Atom CA of residue 121
Atom CA of residue 480
THR
ILE
Atom CA of residue 449
GLU
ARG
Atom CA of residue 117
Atom CA of residue 46
Atom CA of residue 166
Atom N of residue 80
Atom CG of residue 119
ILE
DensityMap16
Atom CA of residue 448
Atom CA of residue 108
Atom CG of residue 64
Atom O of residue 520
ASN
Atom CB of residue 516
python stream
ALA
Atom CB of residue 89
ARG
PRO
Atom C of residue 151
Atom CA of residue 98
Atom CA of residue 10
Atom CA of residue 40
Atom CA of residue 6
MET
Atom C of residue 95
Atom CA of residue 100
Atom CA of residue 104
GLY
Atom N of residue 7
Atom CA of residue 74
Atom CA of residue 2688
Atom CA of residue 2653
Atom CA of residue 95
Atom CA of residue 534
Atom CB of residue 549
Atom CA of residue 441
Atom CA of residue 26
Atom CA of residue 205
Atom CD of residue 78
PRO
Atom CZ of residue 11
Atom CA of residue 17
LEU
Atom CA of residue 570
GLU
Atom C of residue 65
Atom CB of residue 92
Atom CA of residue 91
ILE
Atom CA of residue 531
Atom CG of residue 516
LEU
ALA
AccumulateRigidBodyDerivatives2
Atom OG of residue 89
HIS
VAL
THR
Atom CA of residue 242
GLN
VAL
Atom CA of residue 39
Atom SD of residue 545
Atom O of residue 95
GLY
Atom CA of residue 60
Atom CG of residue 549
Atom CA of residue 180
Atom CA of residue 265
PRO
Atom CA of residue 2671
Atom C of residue 486
ALA
Atom CA of residue 126
SER
Atom CE of residue 78
Atom CA of residue 356
Atom C of residue 36
Atom CA of residue 135
THR
Atom CA of residue 110
VAL
Atom O of residue 65
Atom CB of residue 64
Atom CG1 of residue 92
Atom O of residue 151
Atom CA of residue 251
GLN
PHE
Atom C of residue 49
PRO
SER
ARG
Atom CD of residue 50
THR
ILE
Atom CA of residue 152
SER
Atom CA of residue 59
PHE
Atom CA of residue 30
Atom CA of residue 406
VAL
LYS
Atom CE of residue 545
Atom CA of residue 109
GLN
THR
Atom OH of residue 11
Atom CA of residue 24
Atom CE1 of residue 106
Atom OE1 of residue 117
GLY
Atom O of residue 486
LYS
Atom CA of residue 102
Atom O of residue 36
ARG
Atom CA of residue 523
Atom CA of residue 55
Atom CA of residue 109
GLN
Atom C of residue 20
Atom CG of residue 64
Atom OH of residue 144
Atom N of residue 441
Atom CG2 of residue 470
Atom CA of residue 46
Atom N of residue 35
GLU
TYR
Atom C of residue 121
Atom N of residue 67
Atom O of residue 49
Atom CA of residue 114
GLU
Atom CA of residue 485
ARG
Atom CG of residue 38
Atom NE of residue 50
ASN
LEU
LEU
Atom CA of residue 84
Atom CA of residue 88
Atom CA of residue 96
Atom CA of residue 96
ASN
Atom CB of residue 109
GLY
Atom CA of residue 530
Atom C of residue 10
ALA
Atom CA of residue 206
TYR
Atom CA of residue 538
ARG
Atom CD of residue 115
LEU
Atom CA of residue 19
Atom CA of residue 10
THR
Atom CG of residue 146
ALA
Atom CB of residue 151
Atom CA of residue 12
Atom CA of residue 487
Atom O of residue 20
Atom C of residue 9
Atom CD1 of residue 119
Atom N of residue 145
PRO
ALA
Atom N of residue 471
GLU
Atom CB of residue 520
Atom O of residue 121
Atom CA of residue 152
Atom CA of residue 457
Atom CA of residue 65
ASP
Atom CA of residue 309
Atom N of residue 12
ASN
Atom CA of residue 63
Atom SD of residue 64
Atom CG1 of residue 109
Atom CA of residue 481
ARG
GLU
SER
Atom CA of residue 118
Atom CA of residue 47
ARG
ASP
Atom CA of residue 70
Atom CA of residue 357
Atom CA of residue 167
ILE
LYS
Atom CA of residue 95
Atom CA of residue 18
Atom CA of residue 452
Atom CA of residue 141
GLU
Atom CA of residue 442
Atom C of residue 39
Atom CD2 of residue 119
Atom CA of residue 153
ILE
MET
Atom CG of residue 520
Atom CA of residue 99
SER
Atom CA of residue 101
Atom CA of residue 105
PHE
Atom CA of residue 75
Atom CA of residue 2689
Atom CA of residue 2654
Atom C of residue 135
Atom CE of residue 64
Atom CA of residue 535
Atom CD1 of residue 516
Atom CA of residue 103
Atom CB of residue 95
python stream rigid body
Atom CG2 of residue 117
Atom N of residue 90
LEU
Atom CA of residue 571
GLY
Atom CA of residue 110
Atom CG of residue 151
Atom NZ of residue 78
Atom CA of residue 7
Atom CA of residue 69
LYS
Atom NE2 of residue 106
Atom CA of residue 92
PRO
Atom CA of residue 532
Atom OD1 of residue 549
Atom O of residue 10
Atom O of residue 39
LEU
THR
LEU
Atom CD1 of residue 38
Atom CB of residue 65
PRO
ILE
GLY
Atom CA of residue 243
Atom CA of residue 97
LYS
Atom CA of residue 207
VAL
PRO
Atom CA of residue 34
Atom CA of residue 61
Atom CG2 of residue 92
Atom O of residue 135
Atom CA of residue 181
Atom CA of residue 266
Atom CA of residue 2672
Atom CA of residue 127
Atom CD2 of residue 516
Atom N of residue 546
Atom CG of residue 95
GLY
Atom NE2 of residue 117
Atom CA of residue 111
ARG
Atom CB of residue 486
VAL
Atom CB of residue 36
Atom N of residue 107
LYS
Atom CA of residue 252
Atom OD2 of residue 549
ALA
Atom CA of residue 10
ILE
ILE
Atom CD2 of residue 38
Atom CG of residue 65
Atom CA of residue 80
ASN
ARG
Atom CA of residue 60
LYS
Atom CA of residue 31
Atom CA of residue 408
LYS
LEU
Atom CB of residue 49
LYS
TRP
Atom CA of residue 110
ARG
Atom CA of residue 358
VAL
Atom CA of residue 25
Atom CZ of residue 50
Atom CD1 of residue 64
Atom N of residue 93
LYS
Atom CD of residue 151
Atom CA of residue 14
LEU
VAL
Atom CA of residue 2630
PRO
Atom CZ of residue 147
Atom CA of residue 524
Atom CA of residue 577
Atom CA of residue 56
Atom C of residue 457
SER
Atom CG1 of residue 486
Atom CB of residue 76
Atom CG of residue 36
Atom CA of residue 154
LEU
Atom CA of residue 47
GLU
TRP
Atom CB of residue 20
Atom CA of residue 115
ALA
Atom CA of residue 486
PRO
Atom CA of residue 15
HIS
TYR
PRO
Atom CA of residue 85
GLU
Atom CA of residue 89
Atom CA of residue 97
SER
LEU
Atom C of residue 95
Atom CB of residue 121
VAL
Atom CA of residue 531
VAL
Atom CG of residue 49
Atom CA of residue 539
Atom OG of residue 61
Atom CD2 of residue 64
Atom C of residue 141
GLU
Atom CA of residue 111
Atom CB of residue 10
Atom CA of residue 70
LEU
VAL
Atom CA of residue 35
ILE
Atom CG2 of residue 109
Atom CA of residue 488
Atom O of residue 457
Atom CA of residue 67
Atom C of residue 7
Model 32
Atom CA of residue 98
Atom CA of residue 8
Atom CA of residue 153
Atom CG of residue 20
Atom CA of residue 208
Atom CA of residue 38
Atom N of residue 79
ILE
Atom CA of residue 310
Atom CA of residue 13
SER
Atom CA of residue 64
Atom N of residue 120
Atom OE1 of residue 151
Atom O of residue 95
Atom CG of residue 121
Atom CA of residue 482
MET
LYS
GLU
PRO
Atom CA of residue 119
Atom CA of residue 48
Atom CA of residue 71
Atom CA of residue 168
GLU
Atom O of residue 141
Atom CA of residue 441
Atom N of residue 65
Atom SD of residue 520
GLN
LYS
Atom CD1 of residue 109
Atom CA of residue 443
Atom C of residue 15
Atom N of residue 118
Model 24
ASN
Atom CA of residue 100
Atom CB of residue 39
LEU
THR
ASP
HIS
Atom CA of residue 359
Atom CA of residue 102
Atom CA of residue 106
Atom CA of residue 76
Atom CA of residue 2690
Atom CA of residue 2655
LEU
GLN
Atom CA of residue 536
LEU
SER
LYS
Atom CB of residue 135
Atom CA of residue 572
GLY
THR
Atom CE of residue 520
Atom N of residue 517
Atom NH1 of residue 50
Atom C of residue 80
Atom CA of residue 90
Atom CA of residue 450
VAL
Atom CA of residue 93
Atom CA of residue 155
GLU
GLY
Atom CA of residue 533
Atom CA of residue 5
Atom OD1 of residue 95
GLY
VAL
GLU
ASN
Atom N of residue 150
GLU
GLY
Atom CA of residue 244
Atom CA of residue 471
Atom NE2 of residue 151
Atom N of residue 550
ALA
Atom N of residue 11
Atom CA of residue 67
Atom CG of residue 39
Atom O of residue 568
LEU
Atom N of residue 39
Atom CA of residue 62
Atom CA of residue 112
Atom CA of residue 182
Atom CA of residue 267
Atom CA of residue 2673
Atom CA of residue 128
Atom O of residue 7
Atom CA of residue 71
Atom CD of residue 65
CYS
Atom CG of residue 135
Atom CA of residue 112
MET
LEU
Atom CA of residue 26
Atom O of residue 15
Atom NH2 of residue 50
Atom O of residue 80
Atom CA of residue 99
Atom CA of residue 253
LYS
Atom CA of residue 209
Atom ND2 of residue 95
VAL
ASP
ARG
ASP
ALA
Atom CA of residue 61
TYR
ASP
Atom CA of residue 32
Atom CG2 of residue 486
Atom CA of residue 409
VAL
LYS
Atom CA of residue 546
Atom CA of residue 111
ILE
ILE
MET
PRO
Atom SD of residue 36
Atom CA of residue 145
Atom C of residue 35
LEU
LEU
Atom C of residue 67
GLU
Atom CA of residue 2631
Atom CB of residue 7
Atom CE of residue 65
Atom CE1 of residue 64
Atom CA of residue 525
PHE
Atom CA of residue 57
PRO
Atom CD of residue 49
PRO
Atom CG1 of residue 117
Atom CA of residue 48
ASP
HIS
Atom CB of residue 457
GLY
Atom CA of residue 116
ASP
Atom CA of residue 487
ALA
THR
LEU
PRO
Atom CA of residue 86
Atom CA of residue 90
Atom CA of residue 432
Atom C of residue 441
ILE
TYR
TYR
Atom CA of residue 532
Atom N of residue 487
LEU
Atom CA of residue 540
SER
Atom CA of residue 22
Atom CE of residue 36
SER
Atom O of residue 35
Atom CB of residue 95
ASP
Atom CD of residue 20
Atom O of residue 67
Atom CB of residue 15
Atom CD of residue 76
GLY
CYS
Atom CB of residue 141
Atom CA of residue 156
GLU
ALA
Atom CD of residue 121
Atom CA of residue 489
Atom OE1 of residue 49
Atom CA of residue 360
Atom NE of residue 147
Atom N of residue 152
Atom N of residue 110
Atom CA of residue 154
Atom CG1 of residue 457
GLN
Atom CA of residue 39
Atom CA of residue 311
Atom CA of residue 26
LEU
Atom CA of residue 65
Atom O of residue 441
Atom CA of residue 113
ALA
Atom CA of residue 483
ARG
ASP
PHE
Atom CA of residue 120
Atom CA of residue 49
Atom CA of residue 13
Atom CA of residue 72
Atom CA of residue 169
Atom CA of residue 72
Atom C of residue 90
Atom CA of residue 107
Atom CA of residue 93
Atom CG of residue 149
ILE
Atom CG of residue 95
Atom OE1 of residue 20
Atom CG of residue 141
Atom C of residue 471
Atom CA of residue 100
Atom N of residue 521
Atom CE of residue 121
Atom CA of residue 444
Atom CA of residue 210
Atom CA of residue 79
PRO
Atom CA of residue 89
Atom CA of residue 120
SER
Atom CA of residue 101
LYS
GLU
Atom CA of residue 103
Atom CA of residue 107
Atom CA of residue 77
Atom CA of residue 2691
Atom CA of residue 2656
Atom CA of residue 65
Atom CA of residue 537
Atom CA of residue 9
Atom CA of residue 130
Atom CA of residue 571
Atom CG1 of residue 15
Atom C of residue 12
Atom O of residue 90
SER
Atom CA of residue 573
ALA
LEU
Atom SD of residue 39
Atom N of residue 51
Atom CA of residue 451
Atom CA of residue 118
Atom CA of residue 94
Atom O of residue 471
LYS
Atom CA of residue 534
ALA
GLY
SER
PHE
Atom C of residue 546
ILE
ARG
Chain A
Atom CA of residue 40
Atom CA of residue 16
Atom CB of residue 80
Atom CE2 of residue 64
Atom CD1 of residue 135
VAL
Atom C of residue 145
VAL
Chain C
Atom CA of residue 259
LEU
ILE
Atom N of residue 96
MET
PRO
Atom CA of residue 63
Atom CA of residue 183
Atom CA of residue 268
Atom CA of residue 11
Atom CA of residue 2674
Atom CA of residue 129
Atom CA of residue 517
Atom CA of residue 157
ASP
Atom CA of residue 113
ALA
Atom CE of residue 39
ASP
Atom NZ of residue 65
Atom CA of residue 152
Atom CA of residue 254
Atom CA of residue 550
LYS
Atom O of residue 546
LYS
VAL
Atom CA of residue 39
Atom CG of residue 80
CYS
Atom CZ of residue 64
Atom CD2 of residue 135
Atom O of residue 145
Atom CA of residue 245
Atom CA of residue 62
Atom CA of residue 114
GLU
Atom CA of residue 33
LEU
GLU
Atom CA of residue 14
Atom CA of residue 112
LYS
ASP
Atom CG2 of residue 15
Atom CA of residue 73
ALA
ARG
Atom N of residue 37
Atom CA of residue 526
Atom CA of residue 101
Atom CA of residue 58
Atom CB of residue 35
GLU
GLN
Atom CB of residue 67
Atom CA of residue 211
SER
Atom CG of residue 76
Atom CA of residue 49
LYS
ARG
Atom OE2 of residue 49
Atom CA of residue 117
ARG
Atom CA of residue 488
ILE
ASP
Atom O of residue 12
PRO
Atom C of residue 107
ASP
THR
Atom C of residue 93
Atom CA of residue 87
Atom CA of residue 91
ALA
ARG
GLY
ASP
Atom CA of residue 533
Atom CA of residue 20
Atom CA of residue 541
Atom CB of residue 441
CYS
PRO
Atom CG2 of residue 457
Atom C of residue 79
LYS
LEU
ASN
LEU
Atom C of residue 120
Atom CG of residue 35
ASN
Atom C of residue 152
Atom N of residue 148
LYS
Atom CA of residue 490
Atom CA of residue 131
Atom OE2 of residue 20
Atom CG of residue 67
GLY
Atom CA of residue 361
LEU
Atom C of residue 65
Atom OD1 of residue 95
Atom NZ of residue 121
Atom CA of residue 155
Atom CA of residue 62
Atom CA of residue 312
Atom CD1 of residue 15
PRO
ARG
Atom CA of residue 66
Atom O of residue 107
Atom O of residue 93
Atom CD of residue 141
Atom CA of residue 484
ALA
ASP
GLY
Atom CA of residue 121
Atom CA of residue 50
Atom CA of residue 170
Atom C of residue 118
Atom CG of residue 441
Atom CA of residue 47
LYS
Atom CD2 of residue 570
LEU
Atom CD1 of residue 457
Atom O of residue 79
Chain D
Atom N of residue 91
Atom O of residue 120
Atom CA of residue 110
Atom CA of residue 445
GLU
Atom CD of residue 32
SER
Atom CA of residue 90
Atom CB of residue 471
LEU
Atom CA of residue 115
Atom O of residue 65
Atom CA of residue 102
Atom ND2 of residue 95
Atom CA of residue 135
Atom C of residue 11
Atom C of residue 517
VAL
Atom CA of residue 104
Atom CA of residue 108
GLY
Atom CA of residue 78
DensityMap866
Atom N of residue 66
Atom CA of residue 2692
Atom CA of residue 2657
Atom NE of residue 141
Atom CA of residue 538
P0
Atom CA of residue 487
Atom CA of residue 27
Atom O of residue 118
GLU
Atom CA of residue 433
Atom CA of residue 574
Atom CA of residue 102
PHE
Atom O of residue 152
Atom CA of residue 521
Atom C of residue 550
ALA
Atom CA of residue 212
Atom CA of residue 20
Atom CB of residue 12
Atom C of residue 39
THR
Atom CA of residue 95
LYS
Atom CA of residue 535
Atom N of residue 40
GLY
Atom C of residue 116
mol_1
GLN
MET
Atom N of residue 16
Atom CA of residue 16
Atom N of residue 65
TYR
TYR
Atom OG of residue 471
Atom CA of residue 10
ALA
Atom O of residue 517
Atom CB of residue 546
Fit restraint
ALA
Atom N of residue 63
ASP
Atom CA of residue 64
Atom N of residue 136
Atom CB of residue 145
Atom CA of residue 184
Atom CA of residue 269
Atom CA of residue 2675
Atom CA of residue 130
Atom N of residue 50
Atom CD of residue 80
Atom CA of residue 246
GLY
Atom CA of residue 114
Atom O of residue 550
VAL
Atom CA of residue 132
ILE
SER
Atom O of residue 39
Atom CA of residue 66
GLY
Atom CA of residue 255
PHE
ASN
Atom CA of residue 96
Chain B
ARG
PRO
ALA
LYS
Atom CA of residue 63
GLY
Atom CA of residue 66
Atom N of residue 21
LYS
SER
Atom CG1 of residue 546
Atom CA of residue 113
SER
Atom CA of residue 67
Atom CA of residue 51
Atom O of residue 40
ASP
Atom CG of residue 145
ASP
Atom CB of residue 152
Atom N of residue 122
TYR
ARG
Atom NE of residue 80
Atom CA of residue 527
ALA
Atom CA of residue 59
Atom O of residue 11
LYS
TYR
ASP
GLY
THR
Atom CA of residue 116
ASP
TYR
Atom CA of residue 118
TRP
THR
LYS
GLY
PHE
Atom CA of residue 88
Atom CA of residue 92
Atom CD of residue 35
PRO
Atom CA of residue 35
SER
Atom CA of residue 534
Atom CA of residue 29
GLU
Atom OD1 of residue 67
Atom CA of residue 542
Atom CG of residue 12
ASP
Atom CA of residue 37
Atom CB of residue 107
Atom CB of residue 93
SER
Atom CA of residue 103
Atom C of residue 110
ASP
GLU
Atom CA of residue 213
VAL
SER
ASP
Atom CA of residue 48
LEU
Atom CA of residue 491
Atom N of residue 458
Atom CB of residue 79
Atom CA of residue 362
Atom CA of residue 16
Atom CB of residue 120
Atom CD of residue 441
Atom CA of residue 156
Atom C of residue 487
Atom CA of residue 313
PHE
Atom CA of residue 67
Atom OE1 of residue 35
Atom CB of residue 65
Atom N of residue 153
Atom C of residue 521
Atom N of residue 96
LYS
GLU
ARG
ASN
Atom OD2 of residue 67
Atom CA of residue 122
Atom CA of residue 51
Atom CA of residue 78
Atom CA of residue 171
Atom CA of residue 91
Atom CG1 of residue 107
Atom SG of residue 93
Atom CZ of residue 141
LEU
Atom O of residue 110
ALA
Atom CA of residue 133
ALA
ARG
Atom CD1 of residue 77
Atom CB of residue 118
ILE
Atom CG of residue 577
ALA
Atom CA of residue 446
Atom CG of residue 79
ALA
Atom CA of residue 91
Atom CG of residue 120
Atom N of residue 442
ARG
Atom CA of residue 103
Atom O of residue 487
GLU
Atom CA of residue 105
Atom CA of residue 109
Atom CA of residue 79
Atom CA of residue 2693
Atom CA of residue 2658
TRP
Atom OG1 of residue 65
Atom O of residue 521
Atom CA of residue 539
LYS
Atom CB of residue 11
Atom CB of residue 517
MET
ASP
Atom CB of residue 146
Atom CA of residue 575
Atom N of residue 472
LYS
Atom C of residue 96
Atom C of residue 16
Atom CA of residue 28
Atom CG of residue 118
Atom CA of residue 96
Atom CA of residue 434
Atom CA of residue 536
Atom CA of residue 117
Atom CB of residue 550
HIS
P1
GLU
Atom CA of residue 17
Atom CB of residue 39
Atom C of residue 51
Atom CA of residue 66
PRO
GLN
LYS
ILE
LEU
Atom CD of residue 12
Atom CA of residue 65
Atom CA of residue 104
Atom CA of residue 185
Atom CA of residue 270
ALA
Atom CA of residue 2676
Atom O of residue 41
Atom CA of residue 131
Atom CG of residue 517
Atom CA of residue 214
Atom CA of residue 37
Atom CA of residue 247
LYS
ALA
Atom CA of residue 52
Atom CA of residue 115
Atom CD of residue 577
GLN
Atom OE1 of residue 32
Atom CG2 of residue 546
Atom O of residue 96
Atom CA of residue 516
Atom CZ of residue 80
Atom CD of residue 145
Atom CA of residue 256
Atom CG of residue 550
ALA
ARG
ILE
Atom CG of residue 39
Atom O of residue 51
Atom C of residue 37
THR
Atom CA of residue 136
Atom CA of residue 64
Atom CA of residue 153
ASP
TYR
Atom CA of residue 50
Atom CA of residue 79
Atom CA of residue 114
GLY
Atom CA of residue 21
LEU
Atom CA of residue 134
GLN
Atom O of residue 16
ASN
Atom CA of residue 65
Atom CA of residue 528
GLU
Atom CA of residue 60
GLN
LEU
Atom N of residue 547
python stream
THR
Atom CD1 of residue 116
Atom OE1 of residue 145
Atom NH1 of residue 141
TRP
TRP
Atom CG of residue 11
Atom CA of residue 21
Atom CA of residue 119
GLU
ILE
VAL
GLU
Atom O of residue 37
Atom C of residue 91
SER
PHE
Atom CA of residue 89
Atom CA of residue 93
ARG
LEU
Atom CA of residue 122
Atom CA of residue 30
Atom CA of residue 543
PHE
Atom OE2 of residue 35
Atom NE of residue 577
Atom CB of residue 573
Atom OE1 of residue 78
Atom N of residue 68
Atom CA of residue 17
Atom CA of residue 38
ILE
VAL
Atom CA of residue 49
TYR
Atom CA of residue 118
Atom CB of residue 110
Atom CA of residue 492
Atom CA of residue 363
Chain A
Atom CA of residue 16
Atom OE1 of residue 12
Atom CG2 of residue 107
Atom N of residue 94
Atom NH2 of residue 141
Atom C of residue 153
Atom CA of residue 157
Atom CA of residue 314
LEU
Atom CA of residue 68
Atom O of residue 91
SER
Atom CA of residue 105
Atom CA of residue 35
THR
TYR
ASP
Atom CB of residue 487
PRO
Atom CA of residue 123
Atom CA of residue 52
Atom CA of residue 215
Atom CA of residue 20
Atom ND1 of residue 79
Atom CA of residue 172
Atom CB of residue 16
Atom CD1 of residue 120
PRO
Atom N of residue 522
GLY
Atom CA of residue 458
TYR
LEU
Atom C of residue 66
Atom CG2 of residue 65
Atom CG of residue 110
Atom CA of residue 447
GLY
Atom CA of residue 92
Atom N of residue 108
LEU
PHE
Atom CA of residue 104
Atom CA of residue 96
ARG
Atom CA of residue 106
Atom CA of residue 110
Atom CA of residue 50
Atom CA of residue 80
Atom NH1 of residue 80
Atom CA of residue 2659
Atom CD of residue 118
Atom CA of residue 540
Atom CZ of residue 577
GLY
Atom CA of residue 135
Atom CG of residue 487
Atom OE2 of residue 78
ILE
Atom CD2 of residue 79
LEU
LYS
Atom CD2 of residue 120
Atom CA of residue 576
LEU
GLU
LEU
Chain
Atom O of residue 66
Atom C of residue 136
Atom CA of residue 97
Atom CA of residue 435
Atom CA of residue 472
Atom CA of residue 537
Atom N of residue 66
Atom O of residue 153
Atom CD of residue 11
Atom CD1 of residue 517
Atom C of residue 50
Atom CB of residue 96
LEU
Atom CA of residue 18
SER
GLU
PRO
CoarseCC1
ASN
UpdateRigidBodyMembers20
Atom CG of residue 16
Atom CB of residue 51
Atom NH2 of residue 80
Atom CA of residue 66
Atom C of residue 65
Atom OE1 of residue 118
Atom CD1 of residue 550
Atom CA of residue 186
Atom CA of residue 271
DistancePairScore 0
Atom CA of residue 2677
SampledDensityMap16
Atom C of residue 13
Atom SD of residue 39
Atom CA of residue 39
Atom CA of residue 248
LYS
Atom CA of residue 53
Atom CA of residue 119
Atom CA of residue 116
ARG
ASP
Atom C of residue 21
Atom CA of residue 517
TRP
Atom O of residue 136
Atom N of residue 36
Atom CA of residue 257
Atom C of residue 122
PRO
Atom CD2 of residue 517
Atom O of residue 50
GLN
Atom CG of residue 96
AccumulateRigidBodyDerivatives20
PRO
LEU
ILE
Atom OE2 of residue 145
Atom CA of residue 442
Atom CA of residue 106
Atom CA of residue 65
THR
ARG
VAL
CYS
Atom CA of residue 216
Atom CA of residue 115
ASP
Atom CG of residue 51
Atom CB of residue 37
Atom O of residue 65
Atom CD2 of residue 550
ARG
Atom N of residue 12
Atom CE of residue 39
Atom CA of residue 529
VAL
Atom CA of residue 61
Atom CB of residue 153
Atom CA of residue 15
LEU
Atom O of residue 21
VAL
Atom N of residue 142
GLN
ARG
VAL
Atom O of residue 122
Atom CA of residue 120
HIS
LYS
Atom CD1 of residue 16
GLY
LEU
CYS
Atom CA of residue 90
Atom CA of residue 146
Atom CA of residue 94
MET
Atom NH1 of residue 577
Atom C of residue 458
Atom CA of residue 136
Atom CA of residue 31
Atom N of residue 79
Atom O of residue 76
GLY
LYS
python stream
Atom CA of residue 544
MET
Atom CG of residue 37
Atom CB of residue 91
ALA
LEU
LEU
Atom OE2 of residue 12
GLU
LEU
SER
THR
GLY
Atom C of residue 96
P2
Atom CA of residue 493
Atom CA of residue 364
Atom CA of residue 17
VAL
ALA
Atom CA of residue 20
Atom CA of residue 315
PHE
Atom CA of residue 69
MET
Atom CA of residue 94
Atom CA of residue 522
Atom CD of residue 110
Atom CA of residue 36
SER
Atom O of residue 458
PHE
GLY
Atom CA of residue 68
Atom CA of residue 124
Atom CA of residue 85
Atom CA of residue 173
Atom OG1 of residue 91
Atom C of residue 472
TRP
Atom CA of residue 120
Atom CG of residue 153
ILE
Model 40
Chain B
Atom CA of residue 21
Atom CE1 of residue 79
LEU
PHE
Atom N of residue 121
Atom O of residue 96
Atom CA of residue 4
Atom CA of residue 448
Atom CD of residue 487
Atom CA of residue 547
VAL
Atom CD2 of residue 16
Atom CA of residue 93
Atom CB of residue 66
Atom CA of residue 107
LEU
PRO
Atom CA of residue 105
Atom NH2 of residue 577
ILE
PRO
Atom CA of residue 217
ARG
Atom CA of residue 107
Atom CA of residue 10
Atom CA of residue 111
Atom CA of residue 51
Atom CA of residue 81
Atom N of residue 81
python stream rigid body
Atom CA of residue 2660
MapReaderWriter27
Atom CA of residue 541
Atom CE of residue 110
PRO
GLU
Atom CA of residue 54
ARG
GLU
Atom OE2 of residue 118
VAL
Atom N of residue 146
Atom CA of residue 577
Atom O of residue 472
ARG
PRO
Atom CA of residue 23
Atom CA of residue 98
ASN
Atom CA of residue 436
Atom C of residue 442
Atom CA of residue 538
ALA
Atom NE of residue 487
LEU
Atom CA of residue 19
Atom CG of residue 66
Atom CB of residue 136
GLY
GLN
Atom CA of residue 13
Atom CA of residue 137
Atom CA of residue 79
Atom N of residue 518
Atom CB of residue 50
LYS
HIS
LEU
Atom CA of residue 67
LEU
Atom CD of residue 153
Atom CA of residue 187
Atom CA of residue 272
Atom CA of residue 2678
Atom CD of residue 96
mol2 rigid body rigid body positions
ALA
Atom CB of residue 65
python stream rigid body rigid body positions
LYS
Atom CA of residue 249
Atom CA of residue 54
Atom CA of residue 117
Atom CE1 of residue 550
ALA
Atom CA of residue 4
TYR
GLU
Atom CA of residue 518
Atom CE1 of residue 16
ASP
Atom N of residue 40
Atom OD1 of residue 51
GLY
Atom O of residue 442
ILE
Atom CA of residue 258
Chain B
Atom N of residue 578
Atom CB of residue 21
LEU
GLY
LEU
Atom CA of residue 108
Atom CG of residue 136
Atom CA of residue 68
Atom CA of residue 66
Atom CB of residue 122
Atom N of residue 13
VAL
SER
Atom CG of residue 50
Atom CA of residue 116
GLY
Atom N of residue 9
Atom CA of residue 52
Atom CA of residue 121
PRO
Atom CE of residue 96
Atom CG of residue 65
Atom CA of residue 530
GLU
Atom CA of residue 62
Atom N of residue 568
ARG
ASN
Atom OD2 of residue 51
Atom CA of residue 24
CYS
Atom OD1 of residue 37
Atom C of residue 94
Atom CA of residue 108
Atom CA of residue 66
Atom C of residue 522
PRO
GLU
TYR
Atom C of residue 79
Atom CG of residue 21
Atom C of residue 68
Atom CA of residue 218
Atom NE2 of residue 79
Atom CA of residue 121
VAL
GLN
ASN
GLY
TYR
Atom CA of residue 91
Atom CA of residue 95
Atom CE of residue 153
ALA
Atom CA of residue 34
Atom CG of residue 122
Atom CA of residue 48
Atom CA of residue 545
Atom C of residue 10
LEU
ARG
Atom CB of residue 458
MapReaderWriter6
Atom C of residue 547
Atom C of residue 18
GLU
THR
PRO
HIS
Atom CA of residue 494
Atom CA of residue 22
Atom CA of residue 365
Atom ND2 of residue 37
Atom CG2 of residue 91
Atom O of residue 94
Atom N of residue 119
Atom O of residue 522
Atom CB of residue 96
GLU
Atom CA of residue 138
Atom O of residue 68
ALA
Atom N of residue 80
Atom CA of residue 316
GLU
Atom CA of residue 70
ALA
ASN
Atom CA of residue 37
ASP
GLU
PRO
Atom CA of residue 125
Atom CA of residue 174
Atom CA of residue 142
GLU
GLN
Atom NZ of residue 110
Atom N of residue 459
Atom O of residue 547
VAL
Atom CE2 of residue 16
Atom CA of residue 41
PHE
Atom CB of residue 472
THR
Atom CA of residue 578
Atom CA of residue 452
Atom O of residue 79
python stream rigid body rigid body positions
ASP
Fit restraint
Atom CA of residue 94
Atom C of residue 118
Atom N of residue 92
LEU
PHE
Atom NZ of residue 153
Atom CA of residue 106
Atom CG of residue 96
Atom CE2 of residue 550
ARG
Atom CZ of residue 487
LEU
Atom CA of residue 108
Atom CA of residue 112
Atom CA of residue 82
Atom CA of residue 2661
PRO
Atom CA of residue 122
Atom CA of residue 542
LEU
LYS
Atom OD1 of residue 66
LYS
Atom CA of residue 121
Atom CA of residue 578
MET
Atom CA of residue 19
Atom CA of residue 25
Atom C of residue 108
Atom CA of residue 99
Atom CA of residue 437
Atom N of residue 473
Atom CA of residue 109
Atom CA of residue 539
Atom CA of residue 21
LYS
CYS
GLU
Atom CA of residue 219
ASN
Atom O of residue 10
PRO
Atom CA of residue 570
THR
THR
Atom CB of residue 442
Atom CZ of residue 550
MET
Atom CA of residue 20
Atom CA of residue 68
Atom CA of residue 188
Atom CA of residue 273
Atom CA of residue 2679
Atom CA of residue 54
Atom CZ of residue 16
Atom OD2 of residue 66
Atom OD1 of residue 136
Atom CA of residue 250
Atom CA of residue 55
Atom C of residue 66
Atom CA of residue 118
THR
Atom C of residue 578
VAL
Atom CB of residue 79
Atom CD of residue 50
ALA
Atom NZ of residue 96
Atom CA of residue 519
Atom CA of residue 81
Atom O of residue 108
Atom N of residue 583
Atom OG of residue 574
Atom CA of residue 259
Atom CA of residue 139
Atom CA of residue 518
PHE
TYR
Atom CA of residue 70
Atom N of residue 52
ASP
Atom CD of residue 65
Atom OG of residue 442
Atom CA of residue 67
GLU
ARG
Atom CA of residue 117
VAL
LEU
Atom CB of residue 22
Atom O of residue 41
Atom CA of residue 53
GLU
Atom CD of residue 21
TRP
VAL
Atom CA of residue 531
Atom OD2 of residue 136
VAL
ILE
Atom CA of residue 63
Atom O of residue 66
Atom CA of residue 36
Atom OD1 of residue 122
Atom NE of residue 50
Atom CA of residue 116
LEU
Atom N of residue 154
ALA
Atom N of residue 111
GLU
Atom C of residue 22
ARG
Atom CA of residue 122
MET
ILE
GLY
MET
Atom N of residue 38
Atom CE of residue 65
LYS
Atom CB of residue 94
Atom CA of residue 92
Atom CA of residue 96
Atom C of residue 142
Atom CA of residue 123
Atom CB of residue 522
LEU
PHE
Atom CB of residue 68
Atom CA of residue 546
Atom OH of residue 16
HIS
Atom O of residue 578
Atom NH1 of residue 487
Atom CG of residue 79
Atom OE1 of residue 21
Atom CB of residue 10
Atom N of residue 79
Atom CA of residue 50
GLU
mol1 rigid body
THR
Atom CA of residue 110
Atom C of residue 36
LEU
Atom OD2 of residue 122
Atom CA of residue 495
LEU
GLN
Atom CA of residue 220
Atom CA of residue 23
Atom CB of residue 547
Atom CA of residue 366
SER
LEU
PHE
GLN
TYR
GLN
Atom CA of residue 317
LEU
GLY
Atom CA of residue 71
VAL
Atom CG of residue 94
Atom C of residue 121
Atom O of residue 142
Atom CG of residue 522
Atom CA of residue 38
PHE
THR
Atom CA of residue 33
Atom CA of residue 59
Atom CG of residue 68
Atom CA of residue 126
ARG
Atom CA of residue 175
Atom CG of residue 22
GLY
GLU
Atom CD of residue 96
MET
Atom NH2 of residue 487
HIS
PRO
Atom CA of residue 42
Atom CA of residue 119
Atom CA of residue 583
Atom O of residue 36
LYS
Atom O of residue 22
Atom CA of residue 140
ARG
Atom CG of residue 547
ARG
Atom CA of residue 71
Atom CA of residue 95
GLU
PRO
Atom CA of residue 107
Atom OH of residue 550
VAL
Atom N of residue 97
Atom CA of residue 109
Atom CA of residue 113
Atom N of residue 17
Atom CA of residue 83
Atom O of residue 121
TRP
PHE
Atom CA of residue 543
Atom CB of residue 578
GLY
ILE
Atom CD of residue 79
Atom C of residue 81
ALA
Atom CA of residue 579
LYS
LEU
Atom CE of residue 96
Atom CA of residue 37
Atom C of residue 518
Atom CA of residue 79
Atom N of residue 67
Atom CA of residue 100
Atom CA of residue 540
Atom CA of residue 154
Atom CA of residue 450
GLU
Atom CA of residue 571
Atom CB of residue 108
VAL
GLY
Atom CA of residue 438
Atom CA of residue 124
Atom N of residue 551
Atom CA of residue 22
LYS
VAL
VAL
Atom N of residue 11
Atom CA of residue 21
Atom CA of residue 69
Atom CA of residue 189
Atom CA of residue 274
Atom CA of residue 459
Atom CA of residue 2680
Atom CA of residue 55
GLY
Atom O of residue 81
GLU
Atom C of residue 583
Atom CA of residue 257
Atom N of residue 443
Atom CA of residue 111
Atom CA of residue 56
Atom CA of residue 119
ASP
ASN
Atom O of residue 518
Atom CA of residue 221
GLY
Atom CA of residue 80
Atom CA of residue 520
SER
Atom CB of residue 61
ASP
Atom CB of residue 66
Atom CA of residue 260
Atom CZ of residue 50
LYS
GLU
LYS
Atom CA of residue 92
Atom CG of residue 108
Atom CA of residue 68
Atom CG of residue 578
Atom N of residue 80
Atom CA of residue 60
SER
Atom CA of residue 118
THR
ALA
Atom CD1 of residue 22
Atom NZ of residue 65
Atom CA of residue 54
Atom CD of residue 149
ASN
THR
Atom C of residue 79
GLU
Atom CA of residue 532
GLU
PRO
Atom CA of residue 473
Atom CA of residue 64
Atom C of residue 154
Atom CA of residue 74
Atom OE2 of residue 21
ASN
VAL
Atom CA of residue 34
Atom CA of residue 72
Atom CA of residue 52
SER
Atom C of residue 40
ASN
Atom CG of residue 66
ILE
ARG
Atom N of residue 123
LEU
Atom CA of residue 123
SER
LEU
GLU
Atom CA of residue 93
Atom CA of residue 97
ASN
Atom CA of residue 547
Atom CG of residue 76
Atom C of residue 119
Atom CA of residue 146
Atom O of residue 583
Atom CB of residue 142
SER
GLN
Atom CA of residue 38
Atom N of residue 488
Atom CA of residue 51
Atom CD1 of residue 94
ASP
Atom CB of residue 36
MET
Atom CD1 of residue 522
Atom CA of residue 111
Atom CA of residue 496
GLY
Atom CG of residue 32
Atom CD1 of residue 68
Atom CA of residue 21
Atom CA of residue 367
Atom CA of residue 38
GLU
LEU
Atom CA of residue 125
VAL
ILE
Atom ND1 of residue 578
PRO
LEU
Atom CA of residue 318
GLN
Atom CA of residue 17
GLN
Atom CA of residue 136
Atom CA of residue 39
LEU
ALA
Atom CA of residue 34
Atom CA of residue 127
GLN
Atom CD of residue 547
Atom CA of residue 176
Atom O of residue 79
PRO
Atom O of residue 119
LYS
Atom CB of residue 121
Atom CG1 of residue 142
Atom CA of residue 112
GLY
Atom O of residue 154
LEU
MET
Atom CA of residue 222
Atom CG1 of residue 117
MET
PRO
Atom CD2 of residue 94
Atom CG of residue 36
Atom CD2 of residue 522
Atom NZ of residue 96
UnaryFunction0
Atom CD2 of residue 68
GLY
Atom CD2 of residue 22
Atom CA of residue 27
Atom CA of residue 96
GLY
Atom CA of residue 108
Atom C of residue 459
Atom CA of residue 80
Atom CA of residue 61
LYS
Atom CA of residue 110
Atom CA of residue 114
Atom O of residue 31
Atom CA of residue 84
Atom CB of residue 583
GLU
Atom CA of residue 544
PHE
LEU
VAL
ASN
Atom NH1 of residue 50
Atom OE1 of residue 547
Atom C of residue 80
Atom CB of residue 76
ILE
Atom CG of residue 121
Atom CA of residue 580
PHE
LYS
GLU
ASP
Atom CA of residue 73
Atom CB of residue 81
Atom CA of residue 72
Atom N of residue 66
Atom C of residue 92
Atom CA of residue 101
Atom CA of residue 541
ILE
Atom CD2 of residue 578
Atom CA of residue 451
Atom CB of residue 518
Atom CA of residue 97
PRO
Atom CA of residue 572
CYS
GLY
Atom CA of residue 439
Atom CA of residue 23
Atom O of residue 459
Atom N of residue 22
GLN
Fit restraint
Atom CA of residue 22
Atom CB of residue 79
Atom CA of residue 70
Atom CA of residue 147
Atom C of residue 473
ILE
Atom CB of residue 154
Atom CA of residue 190
Atom CA of residue 275
TupleRestraint 0
Atom CA of residue 2681
Atom CA of residue 56
Atom NH2 of residue 50
Atom O of residue 80
Atom CA of residue 11
Atom CA of residue 29
Atom C of residue 52
Atom CA of residue 67
Atom SD of residue 108
Atom CA of residue 258
Atom CA of residue 57
Atom CA of residue 120
ALA
Atom CA of residue 521
VAL
Atom CG of residue 81
GLN
ASP
Atom O of residue 92
Atom CA of residue 443
Atom CA of residue 126
Atom CA of residue 261
Atom CA of residue 39
Atom CA of residue 75
Atom C of residue 80
ARG
Atom CG1 of residue 518
LEU
ASN
Atom OG1 of residue 583
Atom CA of residue 69
GLY
PRO
Atom CA of residue 119
HIS
ASP
Atom CA of residue 2663
ARG
Atom CA of residue 55
Atom O of residue 473
Atom CA of residue 113
Atom CD of residue 66
Atom C of residue 111
ALA
Atom N of residue 4
Atom CA of residue 223
Atom CA of residue 19
Atom C of residue 17
PRO
Atom CE1 of residue 22
Atom O of residue 52
Atom C of residue 38
Atom CE of residue 108
Atom CA of residue 533
THR
Atom CA of residue 65
Model 1
LEU
Atom CE1 of residue 578
Atom CA of residue 28
ILE
THR
LEU
Atom CA of residue 62
Atom CA of residue 124
ASP
LEU
Atom CG of residue 79
GLU
Atom CA of residue 94
Atom CG of residue 154
HIS
Atom N of residue 97
Atom O of residue 577
Atom CA of residue 548
LEU
Atom N of residue 67
Atom O of residue 111
1tdx.pdb
ILE
Atom CA of residue 18
Atom O of residue 17
Atom O of residue 38
Atom CB of residue 119
LYS
ALA
GLN
Atom CA of residue 123
Atom CA of residue 497
Atom O of residue 80
ARG
Atom CA of residue 368
SER
Atom N of residue 95
Atom CG2 of residue 583
ALA
Atom CG2 of residue 142
Atom N of residue 523
LYS
ARG
Atom CE1 of residue 68
Atom CA of residue 319
ARG
ILE
Atom CA of residue 148
Atom CA of residue 496
LEU
LYS
Atom CD of residue 36
VAL
Atom CA of residue 40
Atom CA of residue 5
LYS
VAL
Atom CA of residue 35
Atom CA of residue 128
GLY
Atom CA of residue 177
THR
LEU
LEU
Atom CA of residue 551
Atom NE2 of residue 547
Atom C of residue 97
GLY
Atom CG of residue 119
Atom CA of residue 127
MET
CYS
MET
Atom CA of residue 80
VAL
ASP
Atom CD of residue 79
Atom CA of residue 13
Atom CA of residue 97
SER
Atom OD1 of residue 121
Atom N of residue 143
GLN
Atom CD of residue 154
LEU
Atom CA of residue 109
Atom CA of residue 488
Atom C of residue 76
VAL
Atom CA of residue 111
Atom C of residue 11
Atom N of residue 41
Atom C of residue 67
Atom CD1 of residue 77
ARG
VAL
GLY
Atom CA of residue 114
Atom OE1 of residue 36
Atom CA of residue 545
GLU
Atom CB of residue 459
LEU
Atom N of residue 51
Atom CA of residue 224
Atom CB of residue 17
ALA
Atom C of residue 443
Atom CA of residue 581
Atom CB of residue 80
Atom C of residue 568
Atom O of residue 6
Atom O of residue 97
Atom CB of residue 80
Atom CA of residue 75
Atom CA of residue 102
Atom N of residue 584
Atom CA of residue 542
Atom CA of residue 63
ASN
Atom CA of residue 67
Atom CA of residue 86
ARG
Atom CB of residue 92
Atom CA of residue 573
LEU
Atom ND2 of residue 121
Atom CA of residue 440
Atom CA of residue 24
GLN
Atom CA of residue 23
Atom CE2 of residue 22
Atom O of residue 67
Atom CD1 of residue 81
Atom CA of residue 71
Atom CA of residue 191
Atom CA of residue 276
Atom CG of residue 459
Atom CA of residue 2682
Atom CG2 of residue 518
Atom CA of residue 57
ASP
THR
Atom CA of residue 30
Atom CA of residue 66
Atom CA of residue 275
Atom O of residue 443
Atom CB of residue 473
Atom CA of residue 58
ASP
Atom CA of residue 121
LEU
HIS
Atom CB of residue 6
Atom CG of residue 80
Atom CA of residue 522
Atom N of residue 80
Atom N of residue 53
GLN
Atom N of residue 109
Atom CE of residue 154
Atom CA of residue 262
Atom CA of residue 40
Atom CA of residue 76
Atom CA of residue 22
PRO
ILE
Atom CA of residue 26
Atom CG1 of residue 92
Atom CA of residue 149
ALA
LEU
Atom CA of residue 70
PHE
Atom CA of residue 120
VAL
Atom CD of residue 17
LEU
Atom CD2 of residue 81
Atom CA of residue 2664
Atom CA of residue 56
Atom C of residue 123
GLN
Atom CG of residue 80
Atom N of residue 519
Atom CE2 of residue 68
Atom CA of residue 534
LEU
GLU
Atom CG of residue 473
Atom CA of residue 128
THR
Atom CB of residue 111
LEU
Atom CG of residue 6
Atom O of residue 11
ASP
LEU
LEU
Atom CB of residue 38
Atom CA of residue 76
SER
LYS
ILE
LYS
Atom N of residue 548
Atom CA of residue 22
Atom CA of residue 125
GLU
SER
ARG
Atom CA of residue 95
Atom CA of residue 115
MET
Atom C of residue 551
Atom CA of residue 225
Atom CA of residue 549
Atom CZ of residue 22
LEU
Atom O of residue 123
GLY
Atom CZ of residue 68
PRO
Atom CG1 of residue 148
ASP
Atom CA of residue 584
ILE
LEU
Atom NZ of residue 154
Atom CD1 of residue 570
Atom CG of residue 111
Atom CA of residue 498
Atom C of residue 488
Atom CA of residue 64
Atom CA of residue 369
ASP
ALA
Atom CG of residue 38
CYS
PHE
Atom CA of residue 97
LEU
Atom CA of residue 436
GLN
Atom CA of residue 320
Atom CG of residue 17
ILE
Atom CD1 of residue 119
Atom CA of residue 497
GLU
Atom O of residue 551
Atom CA of residue 41
VAL
LYS
Atom CA of residue 36
Atom CD of residue 80
Atom CA of residue 129
VAL
PRO
Atom CA of residue 178
LYS
PHE
Atom NE2 of residue 36
PRO
ASN
Atom CA of residue 5
ASP
LEU
Atom CB of residue 13
Atom CA of residue 80
HIS
Atom CA of residue 95
Atom CA of residue 67
Atom CA of residue 523
1tdx.pdb
LYS
Atom O of residue 488
Atom CB of residue 97
PHE
LEU
Atom CA of residue 98
Atom CA of residue 150
GLY
ARG
Atom CA of residue 110
LEU
Atom CA of residue 112
LYS
Atom C of residue 66
PRO
Atom CD2 of residue 119
Atom N of residue 122
Atom CA of residue 546
PRO
LEU
GLY
Atom CB of residue 11
Atom CB of residue 67
ASN
Atom C of residue 584
Atom CA of residue 582
Atom CA of residue 129
Atom CA of residue 67
Atom CA of residue 56
PHE
Atom C of residue 22
Atom CA of residue 77
Atom CA of residue 103
Atom CB of residue 443
Atom CA of residue 543
Chain
Atom CD of residue 459
Atom C of residue 63
Atom CG1 of residue 97
ALA
ILE
Atom CA of residue 87
Atom CA of residue 574
ALA
SER
Atom CA of residue 449
Atom CA of residue 116
Atom CA of residue 25
CoarseCC0
Atom N of residue 81
ASP
Atom CA of residue 226
Atom CB of residue 5
Atom CD of residue 80
ASP
Atom CA of residue 32
PRO
Atom CA of residue 72
Atom O of residue 66
GLU
Atom CA of residue 192
Atom CA of residue 277
Atom CA of residue 2683
Atom CA of residue 58
Atom OE1 of residue 17
VAL
Atom CG of residue 13
Atom C of residue 80
Atom CA of residue 31
Atom CA of residue 53
Atom CG of residue 67
Atom N of residue 82
Atom CG2 of residue 92
Atom CG of residue 115
Atom CA of residue 59
Atom CA of residue 122
MET
Atom CA of residue 65
Atom O of residue 22
HIS
Atom CA of residue 12
Atom CA of residue 523
Atom CG of residue 443
Atom CA of residue 263
Atom OE1 of residue 459
Atom CA of residue 77
Atom CA of residue 51
VAL
LEU
Atom CA of residue 441
Atom CA of residue 143
Atom CD1 of residue 473
ASP
Atom CA of residue 71
Atom O of residue 439
GLY
ARG
Atom CA of residue 121
Atom CA of residue 20
Atom NE of residue 80
ILE
Atom CA of residue 3
Atom CA of residue 24
Atom CA of residue 29
Atom CA of residue 2665
Atom O of residue 584
ALA
Atom CA of residue 22
GLY
Atom OH of residue 68
ALA
PRO
Atom N of residue 93
Atom CA of residue 109
Atom CA of residue 535
Atom CA of residue 260
Atom C of residue 97
Atom CB of residue 123
Atom C of residue 436
GLU
Atom CA of residue 151
ILE
Atom N of residue 37
LYS
TRP
LEU
Atom CA of residue 126
VAL
Atom CG of residue 11
Atom CA of residue 96
PRO
Atom CD2 of residue 473
Atom CG of residue 83
VAL
Atom CD of residue 111
Atom CB of residue 439
Atom CA of residue 550
Atom OE2 of residue 17
PHE
Atom O of residue 80
Atom CD1 of residue 38
Atom C of residue 95
GLN
Atom CA of residue 130
Atom C of residue 523
Atom CB of residue 551
GLY
LYS
1z5s.pdb rigid body rigid body positions
Atom N of residue 69
Atom N of residue 6
Atom CA of residue 50
Atom CA of residue 78
TRP
ILE
ASN
Atom O of residue 97
Atom CG1 of residue 123
Atom O of residue 436
Atom CA of residue 499
Atom CA of residue 548
Atom CA of residue 370
VAL
SER
GLN
Atom CA of residue 117
Atom CA of residue 130
SER
Atom CB of residue 488
Atom CA of residue 81
Atom CA of residue 227
HIS
SER
Atom CA of residue 321
THR
ALA
Atom CB of residue 584
Atom CA of residue 498
Atom C of residue 67
DensityMap12
Atom OE1 of residue 111
LYS
Atom CA of residue 42
LEU
LYS
Atom CA of residue 37
Atom CA of residue 130
PRO
Atom CA of residue 179
Atom CD of residue 13
ASN
Atom CD2 of residue 38
Atom O of residue 95
Atom N of residue 120
LYS
Atom O of residue 523
GLU
Atom CG of residue 551
LEU
Atom CA of residue 496
Atom CA of residue 67
Atom CA of residue 519
CYS
LEU
PHE
ALA
Atom CA of residue 99
Atom CD of residue 147
ILE
Atom CA of residue 111
Atom CG of residue 488
ASN
LYS
Atom CA of residue 21
Atom CA of residue 113
Atom CA of residue 18
Atom CB of residue 80
Atom C of residue 53
Atom CA of residue 30
ASP
GLN
Atom O of residue 67
Atom CA of residue 547
PHE
LYS
ILE
Atom CG2 of residue 97
Atom CD1 of residue 9
ALA
Atom CB of residue 66
LEU
LEU
Atom CA of residue 583
Atom CA of residue 57
Atom C of residue 51
Atom CA of residue 152
Atom CA of residue 104
Atom C of residue 143
GLN
Atom CA of residue 544
Atom C of residue 81
Atom N of residue 23
GLN
Atom CD of residue 11
Atom CA of residue 88
Atom OD1 of residue 67
Atom CA of residue 575
ILE
Atom CA of residue 122
Atom CG of residue 584
Atom ND1 of residue 83
Atom NE2 of residue 459
Atom CZ of residue 8
TYR
Atom O of residue 53
Atom CA of residue 73
Atom C of residue 109
Atom CD of residue 443
GLN
Atom CA of residue 131
Atom CA of residue 193
Atom CA of residue 26
Atom CA of residue 278
Atom CA of residue 2684
ASP
Atom CA of residue 59
Atom N of residue 98
Atom CZ of residue 80
GLY
Atom CA of residue 32
Atom CA of residue 79
Atom CG of residue 66
Atom CA of residue 442
Atom CA of residue 60
Atom CA of residue 123
GLN
Atom O of residue 51
Atom CA of residue 52
Atom CA of residue 15
Atom CA of residue 14
Atom CA of residue 524
Atom CA of residue 25
CYS
ALA
Atom O of residue 143
Atom CA of residue 118
Atom CA of residue 264
Atom CA of residue 78
VAL
Atom CA of residue 228
LEU
Atom N of residue 18
Atom CG of residue 80
LYS
Atom OD2 of residue 67
MET
Atom CA of residue 72
Atom CD2 of residue 83
Atom N of residue 440
ASN
Atom CA of residue 122
PRO
Atom CA of residue 82
Atom O of residue 109
Atom CA of residue 2666
Atom N of residue 444
Atom CE1 of residue 473
Atom CA of residue 131
Atom CA of residue 23
ILE
ALA
Atom CA of residue 68
Atom C of residue 548
Atom N of residue 117
Atom CA of residue 536
Atom CA of residue 261
Atom O of residue 81
PRO
ARG
GLU
Atom CD1 of residue 584
GLN
Atom CB of residue 97
TRP
Atom CB of residue 436
PHE
Atom CA of residue 127
GLU
Atom CD2 of residue 9
Atom CA of residue 97
ALA
GLN
Atom CG2 of residue 123
Atom C of residue 519
Atom CA of residue 9
ARG
Atom CA of residue 551
Atom CA of residue 138
THR
CYS
Atom NE2 of residue 111
LEU
Atom O of residue 548
ALA
Atom OE2 of residue 12
Atom CA of residue 51
Atom CA of residue 15
Atom N of residue 39
Atom CB of residue 95
Atom CA of residue 153
ARG
VAL
GLU
Atom CA of residue 37
HIS
Atom CB of residue 523
Atom CA of residue 500
Atom CA of residue 371
Atom CD of residue 80
ILE
PHE
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom CG1 of residue 97
Atom CD1 of residue 551
Atom OG1 of residue 436
P0
MET
Atom CA of residue 322
ASP
Atom NE of residue 147
Atom CA of residue 499
ALA
Atom CA of residue 132
Atom N of residue 124
VAL
Atom CA of residue 43
ASN
LEU
Atom CA of residue 38
TYR
Atom O of residue 519
Atom CA of residue 131
MET
Atom NH1 of residue 8
Atom CA of residue 180
Atom CA of residue 15
LEU
PRO
SER
LEU
Atom CB of residue 67
PRO
Atom NH2 of residue 147
Atom N of residue 460
Atom SD of residue 488
Atom CB of residue 81
Atom CA of residue 497
Atom CA of residue 16
LYS
MET
Atom CA of residue 93
Atom OG of residue 95
LYS
Atom C of residue 122
Atom CD2 of residue 584
Atom CA of residue 119
Atom CG of residue 523
GLU
Atom CA of residue 229
Atom NH1 of residue 80
LEU
ALA
Atom CA of residue 100
ALA
Atom CA of residue 112
Atom CD2 of residue 551
ASP
Atom CA of residue 114
ILE
TYR
Atom CA of residue 120
Atom CA of residue 132
Atom CA of residue 548
GLY
ASN
UpdateRigidBodyMembers2
GLY
Atom CA of residue 69
Atom CA of residue 19
Atom CB of residue 53
TYR
Atom CA of residue 584
Atom OG1 of residue 67
Atom CA of residue 58
GLN
Atom CE of residue 488
Atom CA of residue 23
Atom N of residue 78
HIS
Atom N of residue 10
Atom N of residue 81
TRP
Atom CA of residue 105
Atom O of residue 122
Atom CE2 of residue 473
Atom CA of residue 545
Atom CB of residue 51
ILE
Atom NH2 of residue 80
ASP
Atom CA of residue 89
Atom C of residue 82
Atom OD1 of residue 66
Atom CA of residue 576
LEU
Atom CB of residue 143
GLU
PHE
Atom CA of residue 13
Atom N of residue 68
Atom CA of residue 74
Atom CA of residue 139
Atom CE1 of residue 83
Atom CA of residue 194
Atom CA of residue 27
Atom CA of residue 279
Atom CA of residue 2685
Atom CG of residue 81
Atom CA of residue 60
ILE
ASN
Atom CA of residue 33
Atom CG of residue 53
Atom CB of residue 109
Atom CA of residue 154
Atom N of residue 585
Atom CA of residue 443
GLU
LEU
Atom CA of residue 61
Atom CA of residue 124
LYS
python stream rigid body rigid body positions
Atom CA of residue 525
Atom CA of residue 26
Atom CA of residue 17
Atom CZ of residue 473
Atom N of residue 112
Atom CA of residue 265
Atom CA of residue 79
Atom CA of residue 69
Atom CG of residue 51
SER
Atom O of residue 82
Atom OD2 of residue 66
Atom CG of residue 143
GLU
Atom CA of residue 73
Atom CA of residue 133
PRO
Atom NH2 of residue 8
Atom CA of residue 123
ARG
VAL
Atom N of residue 13
Atom CG of residue 32
TYR
Atom CA of residue 2667
python stream rigid body
Atom C of residue 37
Atom CA of residue 24
PHE
LEU
Atom CA of residue 8
LEU
Atom OG of residue 109
Atom CA of residue 537
LYS
Atom CA of residue 262
Atom CA of residue 120
Atom CB of residue 548
ALA
ASP
ILE
ILE
GLN
LEU
Atom CA of residue 128
ARG
Atom CA of residue 41
LEU
Atom CA of residue 98
Atom CA of residue 133
GLN
Atom CD1 of residue 81
Atom CA of residue 70
Atom CA of residue 552
Atom CA of residue 10
Atom CA of residue 40
Atom C of residue 93
TYR
Atom CA of residue 2629
LEU
Atom O of residue 37
Atom CG2 of residue 97
SER
Atom CG2 of residue 436
PHE
Atom CB of residue 519
Atom CA of residue 98
LYS
Atom CA of residue 81
ASP
PRO
HIS
MET
Atom CA of residue 501
CoarseCC3
Atom CG of residue 548
Atom CA of residue 372
LEU
GLU
ALA
Atom C of residue 120
ALA
Atom CA of residue 230
Atom CA of residue 323
Atom CD of residue 32
ASN
Atom CA of residue 140
Atom N of residue 96
Atom CD1 of residue 523
Atom CE1 of residue 551
ILE
Atom CA of residue 44
ARG
ASN
Atom CA of residue 39
Atom C of residue 23
ASN
Atom CA of residue 181
ASP
Atom CA of residue 39
Atom O of residue 93
Atom CA of residue 155
Atom CA of residue 585
python stream
PRO
Atom CA of residue 444
LEU
ARG
ASN
Atom N of residue 98
Atom N of residue 437
Atom CA of residue 498
Atom CG of residue 519
GLY
Atom CA of residue 66
SER
Atom CA of residue 40
Atom NE2 of residue 83
PRO
Atom N of residue 489
Atom N of residue 81
LEU
Atom CA of residue 101
Atom O of residue 120
Atom CB of residue 122
ALA
ASP
Atom CA of residue 134
Atom CG2 of residue 67
Atom CA of residue 113
Atom CA of residue 7
SER
PHE
VAL
Atom CA of residue 115
GLY
ARG
VAL
ILE
Atom CD2 of residue 523
Atom CA of residue 549
Atom ND2 of residue 567
PHE
ASN
Atom CA of residue 460
VAL
Atom O of residue 23
Atom NH1 of residue 13
Atom C of residue 81
GLY
PHE
Atom CA of residue 585
Atom CA of residue 121
Atom CA of residue 59
Atom CA of residue 584
Atom CA of residue 9
Atom C of residue 69
Atom CA of residue 25
Atom CA of residue 115
Atom CA of residue 106
Atom N of residue 474
Atom CA of residue 546
Atom N of residue 84
ALA
Atom CD2 of residue 81
LEU
PRO
Atom OE1 of residue 32
TRP
Atom CD1 of residue 53
Atom CA of residue 90
Atom O of residue 76
ASP
Atom CA of residue 577
GLU
Atom CG of residue 122
Atom CA of residue 134
Atom N of residue 68
Atom CA of residue 71
Atom CA of residue 6
PRO
Atom CB of residue 82
Atom CA of residue 75
Atom N of residue 67
Atom C of residue 585
Atom CA of residue 124
Atom CA of residue 195
Atom CA of residue 28
Atom CA of residue 280
Atom CA of residue 2686
Atom CA of residue 61
Atom OD1 of residue 51
PHE
Atom C of residue 10
ASN
Atom CA of residue 444
Atom CD of residue 143
Atom CA of residue 62
Atom CA of residue 125
ALA
Atom O of residue 69
Atom CA of residue 526
Atom CA of residue 27
GLY
LEU
TYR
Atom CA of residue 266
THR
Atom CA of residue 80
ASP
GLY
Atom CD2 of residue 53
Atom CA of residue 68
Atom CA of residue 141
Atom N of residue 110
Atom CA of residue 74
Atom C of residue 135
Atom NH2 of residue 13
Atom CA of residue 124
Atom C of residue 98
ALA
LEU
Atom O of residue 81
Atom N of residue 83
ASP
Atom CA of residue 2668
Atom CA of residue 156
ASN
Atom CA of residue 25
VAL
P1
MET
Atom OD2 of residue 51
Atom CA of residue 41
Atom CA of residue 538
Atom CA of residue 263
Atom OE1 of residue 143
Atom CB of residue 37
Atom CA of residue 112
Atom CE2 of residue 551
ASP
LYS
TYR
Atom CA of residue 135
LEU
GLU
DensityMap3
SER
Atom CA of residue 129
ARG
Atom CA of residue 42
Atom C of residue 39
ASP
Atom CA of residue 99
Atom O of residue 585
Atom C of residue 444
ASP
Atom CD of residue 548
Atom O of residue 98
Atom CA of residue 4
Atom CA of residue 553
Atom CB of residue 41
ALA
TYR
Atom CA of residue 122
LYS
LEU
Atom N of residue 82
PRO
Atom CB of residue 93
ALA
GLU
Atom OG of residue 37
VAL
HIS
Atom CZ of residue 551
PHE
Atom CA of residue 502
MET
Atom CA of residue 373
VAL
GLU
ARG
Atom CA of residue 135
Atom C of residue 460
Atom CA of residue 72
Atom ND1 of residue 519
Atom CA of residue 231
Atom CA of residue 324
Atom O of residue 10
Atom CB of residue 81
Atom O of residue 39
HIS
Atom CB of residue 120
Atom O of residue 444
Atom CA of residue 13
GLY
Atom CA of residue 45
ASP
ALA
GLY
Atom CA of residue 40
SER
Atom OE1 of residue 548
Atom CA of residue 182
LYS
Atom CB of residue 18
TRP
Atom CA of residue 96
GLU
MET
Atom N of residue 524
ILE
Atom O of residue 135
PHE
Atom O of residue 572
Atom CA of residue 499
Atom CB of residue 23
Atom C of residue 118
GLU
Atom SG of residue 93
THR
PRO
PRO
PRO
Atom N of residue 14
Atom CA of residue 37
ALA
Atom CA of residue 102
Atom CA of residue 142
Atom CB of residue 585
ASN
Atom CA of residue 114
Atom C of residue 124
Atom O of residue 460
Atom CD2 of residue 519
ARG
SER
Atom CA of residue 116
Atom CA of residue 116
SER
Atom CG of residue 120
Atom CA of residue 157
GLU
GLY
Atom CA of residue 550
LEU
TYR
ASP
Atom CA of residue 42
PRO
Atom CD of residue 122
Atom CA of residue 586
Atom O of residue 11
LYS
Atom CB of residue 135
Atom CA of residue 60
Atom CA of residue 585
Atom CA of residue 489
Atom CG1 of residue 23
Atom C of residue 68
Atom CA of residue 107
THR
Atom CA of residue 547
Atom CA of residue 136
PRO
Atom CB of residue 69
Atom CA of residue 10
Atom C of residue 22
GLU
Atom CG of residue 81
Atom CA of residue 91
Atom CB of residue 76
Atom CA of residue 578
GLU
Atom O of residue 124
GLU
PHE
LYS
Atom CG of residue 18
Atom N of residue 54
Atom CA of residue 76
PRO
Atom CA of residue 123
Atom C of residue 112
Atom CA of residue 196
Atom CA of residue 37
Atom CA of residue 281
Atom CB of residue 41
Atom CA of residue 2687
Atom CA of residue 62
Atom CA of residue 81
Atom OE1 of residue 122
Atom CA of residue 445
Atom CA of residue 63
Atom CA of residue 126
Atom CA of residue 98
Atom CA of residue 437
PHE
Atom N of residue 52
ASN
Atom CA of residue 7
Atom CA of residue 527
Atom CA of residue 28
Atom CB of residue 10
Atom O of residue 68
GLU
ILE
Atom CG of residue 585
Atom OE2 of residue 143
Atom CA of residue 136
Atom CZ of residue 149
Atom CA of residue 267
Atom CA of residue 81
P2
Atom CA of residue 73
Atom CG of residue 69
GLY
Atom CA of residue 67
Atom CA of residue 75
ARG
Atom CA of residue 125
GLU
VAL
GLU
Atom CA of residue 110
Atom CA of residue 2669
Atom CA of residue 474
Atom O of residue 112
ASN
Atom CA of residue 29
Atom CA of residue 10
GLN
Atom CB of residue 98
Atom CA of residue 539
Atom CA of residue 264
LEU
ILE
Atom C of residue 68
Atom N of residue 552
GLY
THR
Atom CA of residue 38
Atom O of residue 22
PRO
GLU
ASP
Atom CA of residue 143
Atom O of residue 146
LEU
MET
LEU
Atom CD1 of residue 18
Atom CD1 of residue 81
ILE
Atom C of residue 96
Atom CA of residue 100
PRO
Atom N of residue 38
TYR
LYS
Atom CA of residue 34
Atom CA of residue 554
Atom CA of residue 43
Atom CB of residue 39
Atom CB of residue 444
LYS
Atom CA of residue 84
GLN
LEU
TYR
Atom CA of residue 82
Atom NE2 of residue 548
Atom CG of residue 98
ILE
Atom CD1 of residue 585
ILE
ILE
GLN
Atom CA of residue 137
Atom O of residue 68
PRO
Atom CA of residue 503
PRO
ALA
Atom CA of residue 374
TYR
HIS
Atom CA of residue 458
TYR
Atom CA of residue 232
python stream
Atom CA of residue 325
Atom CA of residue 83
THR
Atom N of residue 94
Atom O of residue 96
Atom CA of residue 124
GLY
Atom CG of residue 570
Atom CA of residue 26
Atom CA of residue 46
ARG
Atom CB of residue 460
LYS
Atom C of residue 489
Atom CA of residue 41
Atom CE1 of residue 519
LEU
Atom CA of residue 183
Atom N of residue 11
Atom CG of residue 39
LYS
Atom CG of residue 444
LEU
GLN
Atom OG1 of residue 135
Atom CA of residue 500
Atom CA of residue 15
Atom CA of residue 568
LEU
ASP
LYS
ALA
Atom CD1 of residue 120
Atom CB of residue 11
Atom CA of residue 137
LEU
Atom CA of residue 74
GLU
Atom CD2 of residue 18
Atom CA of residue 29
Atom CA of residue 103
HIS
Atom CA of residue 115
Atom N of residue 22
Atom CA of residue 4
Atom CG2 of residue 23
VAL
ARG
Atom C of residue 81
Atom CA of residue 117
Chain A
Atom CA of residue 117
LEU
GLU
Atom N of residue 144
Atom CA of residue 524
Atom CA of residue 551
Atom C of residue 98
Atom CB of residue 124
Atom C of residue 437
LYS
VAL
Atom CG of residue 460
Atom O of residue 489
LYS
Atom N of residue 571
Atom CA of residue 20
LEU
Atom CD2 of residue 585
Atom CA of residue 587
TYR
Atom CA of residue 61
Atom CA of residue 586
Atom CA of residue 39
Atom CD2 of residue 81
Atom CA of residue 144
Atom C of residue 67
Atom CD2 of residue 120
Atom CA of residue 108
Atom OE2 of residue 122
Atom CG of residue 11
Atom CA of residue 548
P0
Atom O of residue 61
Atom CA of residue 92
Atom CB of residue 68
Atom CA of residue 579
Atom C of residue 110
ASP
Atom C of residue 474
ASN
Atom N of residue 24
Atom O of residue 81
ALA
SER
CYS
Atom CA of residue 77
TYR
Atom O of residue 98
Atom OG of residue 124
Atom CA of residue 197
Atom O of residue 437
Atom CA of residue 8
Atom CA of residue 282
Atom CA of residue 2688
Atom CD of residue 69
Atom CA of residue 63
Atom N of residue 62
Atom N of residue 22
Atom CA of residue 446
TYR
Atom CA of residue 64
Atom CA of residue 138
Atom CA of residue 127
Atom CB of residue 112
ASN
LYS
Atom CA of residue 528
Atom N of residue 19
Atom CA of residue 29
Atom O of residue 67
Atom CG of residue 147
ASP
Atom CA of residue 268
Atom CA of residue 30
Atom CA of residue 82
Atom N of residue 549
SER
Atom CA of residue 54
Atom CG of residue 68
Atom O of residue 110
Atom O of residue 474
Atom CA of residue 125
Atom CA of residue 76
Atom C of residue 84
Atom C of residue 82
Atom CD1 of residue 6
Atom CA of residue 126
GLY
Atom CA of residue 3
GLN
Atom CA of residue 2670
Atom CE1 of residue 585
Atom CG2 of residue 135
PHE
Atom CA of residue 14
LYS
Atom N of residue 70
Atom CA of residue 52
GLY
MET
Atom CA of residue 44
ILE
Atom CA of residue 540
Atom CA of residue 265
Atom CA of residue 138
Atom CG1 of residue 112
Atom CA of residue 75
Atom NE2 of residue 519
Atom CA of residue 18
THR
ARG
TRP
Atom C of residue 83
Atom N of residue 69
GLY
GLY
Atom CA of residue 6
ASP
Atom ND1 of residue 98
VAL
GLN
Atom CA of residue 101
Atom O of residue 84
PHE
ALA
Atom O of residue 82
Atom CA of residue 555
GLY
Atom N of residue 82
Atom CB of residue 96
VAL
Atom CA of residue 38
CYS
Atom N of residue 136
ARG
LYS
Atom CA of residue 23
GLU
Atom CA of residue 145
THR
PRO
GLN
LYS
Atom CA of residue 504
Atom N of residue 520
Atom CA of residue 11
Atom CA of residue 14
GLN
Atom SD of residue 39
Atom O of residue 83
SER
Atom CD of residue 444
Atom CA of residue 459
ILE
ARG
Atom C of residue 524
Atom CA of residue 9
Atom CA of residue 233
Atom CD2 of residue 98
Atom CA of residue 326
PRO
Atom N of residue 123
Atom CA of residue 552
Atom CA of residue 47
PRO
LEU
Atom CA of residue 42
ARG
Atom CA of residue 184
Atom CA of residue 94
Atom CG1 of residue 96
LEU
CYS
PHE
Atom CA of residue 139
ASP
Atom CB of residue 489
Atom CA of residue 501
CYS
Atom CA of residue 32
LYS
Atom CA of residue 11
ASP
Atom CD of residue 460
PHE
Atom CD2 of residue 6
GLN
Atom CA of residue 30
Atom CA of residue 104
Atom CE of residue 39
Atom N of residue 121
Atom OE1 of residue 444
Atom CA of residue 126
THR
Atom O of residue 524
Atom CA of residue 116
ARG
SER
Atom CA of residue 118
Atom CA of residue 118
GLU
PRO
Atom CE2 of residue 585
Atom CD1 of residue 11
Atom CA of residue 552
GLN
Atom C of residue 14
ASP
THR
GLY
Atom CB of residue 81
Atom CB of residue 32
ALA
ARG
MET
Atom CA of residue 2629
Atom CA of residue 139
Atom CB of residue 98
Atom CA of residue 27
Atom CB of residue 437
Atom CA of residue 62
Atom CA of residue 587
Atom N of residue 490
Atom CA of residue 76
Atom C of residue 54
Atom CA of residue 109
Atom CA of residue 549
Atom N of residue 125
Atom OE1 of residue 460
Atom CA of residue 12
PHE
Atom CA of residue 93
Atom CB of residue 67
Atom CA of residue 580
ASN
LYS
Atom CA of residue 144
Atom C of residue 52
LEU
Atom CA of residue 78
Atom CB of residue 110
Atom CD2 of residue 11
Atom CB of residue 474
GLN
Atom CA of residue 198
Atom O of residue 14
Atom CA of residue 2689
Atom CA of residue 64
PHE
Atom CA of residue 24
Atom CG of residue 81
Atom CD1 of residue 68
Atom CA of residue 406
Atom CA of residue 447
Atom CA of residue 65
Atom CA of residue 128
Atom CG of residue 98
Atom CG of residue 437
SER
SER
Atom CA of residue 529
Atom C of residue 14
Atom CA of residue 30
Atom O of residue 54
THR
GLN
Atom CA of residue 269
ARG
Atom CA of residue 31
Atom CA of residue 37
Atom CA of residue 83
GLU
THR
Atom CG of residue 67
Atom CZ of residue 585
Atom C of residue 38
Atom CA of residue 77
DensityMap0
Atom CG2 of residue 112
Atom O of residue 52
Atom CA of residue 127
TYR
Atom CG of residue 110
Atom CA of residue 2671
Atom CG of residue 474
GLN
Atom CA of residue 140
Atom CB of residue 84
LYS
Atom CB of residue 82
ALA
LYS
PRO
Atom N of residue 7
Atom C of residue 19
Atom CA of residue 45
Atom CD2 of residue 68
Atom CA of residue 541
Atom CA of residue 266
Atom CA of residue 69
ILE
MET
Atom CA of residue 549
Atom O of residue 14
LYS
PRO
ARG
Atom CA of residue 127
ILE
LEU
Atom C of residue 552
LYS
Atom CA of residue 13
GLU
Atom CB of residue 83
Atom C of residue 94
Atom CA of residue 517
Atom CA of residue 102
Atom O of residue 38
PRO
Atom CD1 of residue 112
GLU
Atom CA of residue 24
Atom CE1 of residue 98
PHE
Atom CA of residue 556
Model 35
Atom C of residue 11
Atom CA of residue 82
ALA
Chain D
Atom CA of residue 140
Atom CG of residue 84
MET
VAL
Atom CG of residue 82
Atom CA of residue 77
ILE
Atom CB of residue 149
TYR
ASP
VAL
Atom CA of residue 505
GLU
LEU
Atom CG2 of residue 96
Atom OH of residue 585
Atom CA of residue 460
ASP
Atom O of residue 552
Atom CA of residue 234
Atom CA of residue 327
Atom N of residue 40
Atom CG of residue 83
LYS
Atom O of residue 94
Atom OE2 of residue 444
Model 25
ASN
Atom CB of residue 524
Atom CA of residue 48
Atom CA of residue 22
TYR
Atom CA of residue 43
PHE
SER
LEU
Atom CA of residue 25
Atom CA of residue 185
Atom O of residue 19
Atom CA of residue 407
LEU
PRO
Atom CA of residue 502
Atom CA of residue 70
TYR
VAL
Atom C of residue 144
ASP
SER
HIS
Atom CZ of residue 575
Atom CA of residue 31
Atom CA of residue 105
Atom CD1 of residue 96
Atom CA of residue 123
PRO
Atom CA of residue 117
Atom NE2 of residue 460
SampledDensityMap86
VAL
MapReaderWriter40
GLU
PRO
Atom CA of residue 119
Atom CA of residue 119
ASN
GLU
Atom CA of residue 574
ASN
Atom CA of residue 141
Atom CG of residue 524
Atom CA of residue 553
ALA
GLU
PHE
ILE
ALA
SER
Atom CE1 of residue 11
Atom CA of residue 136
ARG
Atom CA of residue 63
Atom CB of residue 14
ConjugateGradients
ALA
Atom CA of residue 121
Atom CA of residue 110
Atom N of residue 586
Atom O of residue 144
Atom CA of residue 128
Atom CA of residue 550
Atom CA of residue 28
Atom CD1 of residue 81
Atom O of residue 11
Atom CB of residue 54
Atom CA of residue 94
Atom CA of residue 581
LEU
ASP
Atom CA of residue 2632
Atom ND1 of residue 98
Atom CA of residue 125
Atom CD1 of residue 437
Atom O of residue 573
Atom O of residue 9
VAL
ALA
Atom CB of residue 19
Atom CA of residue 79
Atom CA of residue 74
Atom C of residue 69
Atom CA of residue 199
Atom CA of residue 2690
Atom CA of residue 78
Atom CA of residue 520
Atom CA of residue 65
Atom N of residue 53
Atom C of residue 549
Atom OD1 of residue 67
Atom CA of residue 448
Atom CA of residue 129
Atom CA of residue 14
SER
Atom CG of residue 14
Atom NE2 of residue 98
Atom CA of residue 9
Atom CA of residue 530
Atom CA of residue 31
Atom CE1 of residue 68
Atom OD1 of residue 110
VAL
Atom CD1 of residue 474
LYS
Atom CA of residue 270
Atom CA of residue 32
Atom CA of residue 84
Atom C of residue 24
Atom CD2 of residue 81
Atom CA of residue 77
Atom CB of residue 14
MET
Atom C of residue 82
Atom CG1 of residue 54
Atom CA of residue 82
Atom CA of residue 78
ARG
Atom CD2 of residue 98
Atom CD2 of residue 437
Atom CA of residue 128
VAL
Atom CA of residue 2672
Atom N of residue 39
Atom O of residue 69
Atom N of residue 113
ASN
Atom CA of residue 490
PHE
LEU
Atom O of residue 549
Atom CA of residue 46
Atom OD2 of residue 67
Atom CA of residue 542
LYS
Atom CA of residue 267
Atom N of residue 445
PRO
THR
Atom N of residue 99
Atom CA of residue 10
ASN
GLY
PRO
Atom C of residue 76
Atom OD2 of residue 110
Atom CD2 of residue 474
Atom CD of residue 84
GLN
SER
Atom CD1 of residue 82
Atom O of residue 24
Atom CA of residue 7
GLY
VAL
Atom CG of residue 14
Atom CG of residue 19
Atom O of residue 82
LEU
Atom CA of residue 103
Atom CA of residue 2630
Atom CA of residue 142
LYS
Atom CB of residue 552
Atom CA of residue 5
GLU
Atom C of residue 70
Atom CA of residue 557
Atom CB of residue 94
PRO
LEU
LEU
Atom N of residue 461
Fit restraint
Atom CB of residue 11
Atom CD of residue 83
MapReaderWriter11
VAL
LYS
Atom C of residue 123
Atom CA of residue 586
GLN
LYS
Atom CA of residue 129
Atom CA of residue 68
TYR
Atom CA of residue 506
PRO
GLN
LEU
Atom CA of residue 461
Atom CE2 of residue 11
VAL
Atom N of residue 85
Atom CA of residue 16
Atom CD2 of residue 82
Atom CA of residue 235
Atom CA of residue 51
Atom CA of residue 328
GLU
Atom N of residue 97
LYS
Atom CG of residue 552
Atom C of residue 136
Atom CA of residue 49
LEU
Atom CA of residue 44
Atom CA of residue 79
Atom O of residue 70
LEU
Atom CA of residue 186
Atom CG of residue 94
Atom C of residue 121
ARG
THR
Atom CA of residue 503
LYS
Atom O of residue 41
Atom OE1 of residue 83
Atom CA of residue 477
Atom O of residue 123
Atom CD of residue 524
Atom C of residue 125
SER
PRO
Atom CD of residue 19
Atom CA of residue 32
Atom CA of residue 106
MET
Atom CB of residue 144
Atom CZ of residue 11
LYS
VAL
Atom CA of residue 118
Atom C of residue 520
PHE
PHE
Atom CA of residue 120
Atom CA of residue 120
Atom CE2 of residue 68
GLU
LEU
Atom CA of residue 554
Atom O of residue 136
TRP
THR
CYS
Atom CA of residue 22
PRO
Atom O of residue 121
LEU
Atom C of residue 586
Atom CA of residue 75
TYR
Atom CA of residue 16
Atom CA of residue 64
Atom CA of residue 111
Atom CA of residue 551
Atom CE of residue 524
Atom O of residue 125
THR
Atom CA of residue 95
Atom CA of residue 582
Atom CG of residue 144
Atom CA of residue 2633
Atom CA of residue 143
Atom CD of residue 14
Atom C of residue 490
PRO
Atom O of residue 520
Atom CA of residue 53
Atom C of residue 7
Atom N of residue 82
PRO
Atom CG of residue 11
Atom CZ of residue 68
Atom CA of residue 80
normalize rigid bodies
LEU
Atom CE1 of residue 98
Atom CA of residue 200
Atom CE1 of residue 437
Atom CA of residue 2691
Atom CA of residue 66
Atom CA of residue 35
Atom CG2 of residue 54
SER
Atom CA of residue 453
Atom CA of residue 69
Atom CB of residue 69
SER
Atom CB of residue 549
ASP
Atom CA of residue 531
Atom OE1 of residue 19
Atom CA of residue 48
Atom OE1 of residue 78
Atom N of residue 68
GLU
Atom CA of residue 271
TRP
Atom CA of residue 33
Atom CA of residue 85
Atom CA of residue 52
PHE
Atom CA of residue 83
Atom N of residue 111
Atom CE2 of residue 575
Atom N of residue 475
Atom CA of residue 39
Atom CA of residue 79
Atom NH1 of residue 147
Atom CE of residue 14
Atom O of residue 490
Atom CA of residue 80
Atom CB of residue 24
Atom CA of residue 129
ALA
PHE
ILE
Atom CB of residue 82
Atom CA of residue 2673
Atom O of residue 586
VAL
Atom O of residue 574
ASN
Atom CD of residue 14
Atom N of residue 55
Atom CA of residue 47
Atom CA of residue 543
Atom CA of residue 478
SER
Atom CA of residue 268
Atom CG of residue 69
Atom CG of residue 549
PRO
ALA
TYR
Atom CA of residue 130
GLU
GLU
ARG
MET
Atom CE1 of residue 575
LEU
LEU
GLU
LYS
ASN
ALA
Atom CA of residue 113
DensityMap4
Atom CE1 of residue 82
Atom OG1 of residue 24
ILE
Atom CA of residue 23
Atom CA of residue 558
Atom CG of residue 82
Atom CA of residue 445
Atom CA of residue 2631
CYS
PHE
Atom CB of residue 70
VAL
Atom CE of residue 14
Atom OE2 of residue 19
Atom OE2 of residue 78
GLN
VAL
PHE
Atom CD of residue 552
Atom CA of residue 507
1tdx.pdb
Atom O of residue 7
Atom N of residue 118
LYS
THR
Atom OE2 of residue 83
Atom CD1 of residue 94
GLN
Atom CB of residue 123
Atom CA of residue 462
Atom OH of residue 11
LEU
Atom CA of residue 144
Atom CA of residue 17
PRO
Atom CA of residue 236
Atom CA of residue 329
Atom CD of residue 11
LEU
Atom CB of residue 586
Atom CA of residue 50
Atom CA of residue 461
ASP
Atom CA of residue 45
Atom N of residue 149
PHE
Atom CA of residue 36
Atom CA of residue 187
SER
Atom CB of residue 136
Atom CA of residue 504
Atom OG of residue 70
Atom CA of residue 28
ALA
Atom CA of residue 31
Atom CB of residue 121
GLN
Atom NE2 of residue 98
Atom N of residue 553
GLU
Atom CE2 of residue 437
Chain
ASN
Atom C of residue 53
Atom CB of residue 7
Atom CA of residue 107
Atom CG of residue 116
VAL
Atom CD2 of residue 94
Atom CA of residue 97
Atom CG of residue 123
Atom N of residue 12
GLU
Atom NZ of residue 524
Atom CA of residue 119
Atom CB of residue 125
Atom CA of residue 81
GLU
GLY
Atom CA of residue 121
ALA
Atom CA of residue 121
Atom OH of residue 68
ASP
Atom CA of residue 555
TRP
GLY
Atom CB of residue 520
Atom CA of residue 99
LYS
ARG
ASN
Atom CA of residue 479
LEU
Atom CD1 of residue 144
Atom CA of residue 76
ARG
Atom CG1 of residue 136
Atom CA of residue 65
PRO
Atom CG of residue 121
Atom CA of residue 112
Atom CA of residue 131
Atom C of residue 39
Atom CA of residue 552
TYR
ALA
Atom N of residue 99
Atom CZ of residue 437
THR
Atom O of residue 53
Atom CA of residue 96
Atom CA of residue 583
Atom N of residue 587
Atom CA of residue 2634
Atom CA of residue 85
Atom CB of residue 570
Atom CG of residue 125
ALA
LEU
ASN
Atom N of residue 69
Atom CA of residue 81
ASP
Atom CA of residue 201
Atom NZ of residue 14
Atom CA of residue 2692
Atom CB of residue 490
Atom CG of residue 520
Atom CA of residue 67
Atom N of residue 20
ASN
Atom N of residue 79
Atom O of residue 76
Atom CD2 of residue 144
PHE
Atom CE2 of residue 82
ARG
Atom CA of residue 532
Atom OE2 of residue 12
VAL
Atom CB of residue 115
MET
Atom O of residue 39
Atom CA of residue 145
Atom C of residue 113
Atom CA of residue 272
ASP
Atom CA of residue 34
Atom CA of residue 11
Atom CA of residue 86
LEU
Atom CA of residue 82
ARG
Atom CA of residue 84
Atom C of residue 445
Atom CA of residue 80
Atom CD of residue 69
Atom OD1 of residue 549
Atom CA of residue 130
Atom CA of residue 37
HIS
GLY
Atom CA of residue 32
Atom N of residue 84
Atom CA of residue 2674
VAL
Atom CG1 of residue 490
SER
Atom CA of residue 32
Atom CA of residue 68
Atom CA of residue 544
Atom CA of residue 450
Atom CA of residue 269
ALA
Atom CZ of residue 82
Atom CG2 of residue 24
Atom C of residue 12
Atom CA of residue 26
Atom CA of residue 67
Atom NZ of residue 14
Atom CA of residue 33
Atom CD1 of residue 82
ILE
Atom CA of residue 111
VAL
Atom CA of residue 475
LEU
Atom O of residue 113
GLU
Atom C of residue 461
Atom CA of residue 82
LYS
ASN
Model 13
Atom O of residue 445
Atom NE of residue 69
LEU
Atom OD2 of residue 549
Atom CA of residue 21
Atom CA of residue 559
GLU
PRO
ARG
Atom CA of residue 480
Atom CA of residue 2632
LYS
Atom N of residue 525
LEU
P0
Atom C of residue 97
ILE
ASN
Atom CA of residue 132
PRO
GLU
Atom CA of residue 508
Atom N of residue 25
ILE
Atom CD2 of residue 82
GLY
THR
Atom CA of residue 587
Atom CA of residue 463
LYS
Atom O of residue 461
Atom N of residue 71
Atom CA of residue 237
Atom C of residue 99
PRO
Atom CA of residue 330
GLY
Atom N of residue 95
LEU
ILE
Atom CA of residue 51
GLY
Atom CA of residue 46
GLU
Atom CA of residue 188
Atom CA of residue 20
Atom CA of residue 13
PRO
Atom CA of residue 79
Atom CD of residue 123
ALA
SER
GLU
Atom CA of residue 505
ALA
ASP
ILE
Atom CA of residue 55
Atom O of residue 97
Atom CA of residue 146
Atom C of residue 85
ASP
ILE
Atom N of residue 438
Atom N of residue 15
VAL
PHE
Atom CA of residue 108
GLU
LEU
Atom CA of residue 120
Atom CG2 of residue 136
SER
Atom CB of residue 53
GLN
ASN
Atom O of residue 99
ILE
Atom CA of residue 122
PRO
Atom CA of residue 33
Atom CA of residue 122
SER
ASP
Atom OD1 of residue 121
PHE
Atom CA of residue 556
ARG
LYS
Atom O of residue 12
Atom N of residue 13
Atom CA of residue 33
PRO
HIS
Atom N of residue 124
GLY
Atom CA of residue 77
GLU
Atom CD of residue 125
Atom C of residue 82
Atom CA of residue 113
Atom C of residue 587
Atom CE1 of residue 144
Atom CA of residue 553
Atom O of residue 85
LEU
LYS
ALA
Atom CA of residue 83
Atom SD of residue 520
Atom CA of residue 97
Atom CB of residue 39
PRO
Atom CD1 of residue 136
CoarseCC2
Atom CG of residue 53
LEU
MET
Atom N of residue 15
Atom C of residue 20
Atom CA of residue 35
Atom C of residue 79
Atom CA of residue 82
Atom C of residue 68
Atom ND2 of residue 121
Atom CA of residue 481
VAL
Atom CA of residue 2635
Atom CA of residue 2693
Atom CA of residue 68
Atom CA of residue 38
Atom CA of residue 35
Atom C of residue 111
Atom C of residue 475
Atom CA of residue 133
LYS
Atom NE of residue 125
ASN
Atom N of residue 83
LYS
Atom O of residue 82
Model 51
ALA
Atom CA of residue 533
ALA
Atom C of residue 146
LEU
Atom CA of residue 273
Atom CA of residue 553
Atom CA of residue 35
Atom CA of residue 87
Atom CG2 of residue 490
Atom CE of residue 520
ASP
Atom CA of residue 85
Atom CG of residue 39
Atom CA of residue 81
Atom CB of residue 113
Atom CA of residue 70
Atom CA of residue 20
Atom CA of residue 131
Atom CA of residue 37
SER
ALA
Atom O of residue 68
Atom CA of residue 2675
Atom CB of residue 445
Atom CZ of residue 69
SER
Atom N of residue 550
UpdateRigidBodyMembers4
Atom O of residue 111
Atom CA of residue 545
Atom O of residue 587
Atom CA of residue 451
Atom CA of residue 270
Atom O of residue 475
Atom CA of residue 147
Atom CA of residue 67
HIS
HIS
Atom CA of residue 29
Atom CA of residue 16
Atom CA of residue 34
THR
LEU
ASN
Atom N of residue 491
PRO
Atom CB of residue 12
ASP
Atom O of residue 20
Atom CE1 of residue 82
GLU
Atom O of residue 79
Atom CA of residue 84
LYS
ALA
Atom CG of residue 113
Atom CA of residue 12
Atom CB of residue 461
Atom CA of residue 24
Atom CA of residue 560
GLY
ARG
Atom C of residue 55
Atom N of residue 78
AccumulateRigidBodyDerivatives4
Atom CG of residue 445
Atom CA of residue 2633
PHE
ALA
Atom CA of residue 99
TYR
GLY
LEU
LYS
SampledDensityMap5
LYS
Atom CA of residue 509
Atom CA of residue 84
ASN
GLY
Atom CG1 of residue 148
Atom CB of residue 97
Atom CA of residue 464
SER
Atom CA of residue 238
ASN
Atom CA of residue 331
Atom N of residue 149
MET
Atom CA of residue 482
Atom CE2 of residue 144
VAL
Atom CA of residue 525
Atom CA of residue 52
Atom OG1 of residue 461
Atom CB of residue 21
SER
Atom CA of residue 47
Atom CA of residue 71
GLY
Atom CB of residue 99
Atom CA of residue 189
THR
Atom O of residue 55
Atom CB of residue 587
Atom CA of residue 12
Atom CA of residue 134
ARG
Atom CA of residue 161
Atom CA of residue 506
THR
ALA
THR
Atom CA of residue 69
ASN
HIS
TYR
Atom CB of residue 20
Atom CA of residue 109
Atom CB of residue 79
VAL
Atom CA of residue 95
Atom CG of residue 97
GLY
Atom CB of residue 85
Atom CA of residue 121
Atom CA of residue 71
ASP
MET
Atom CA of residue 123
ARG
Atom CA of residue 38
Atom CA of residue 123
GLU
Atom CZ of residue 144
Atom CA of residue 557
Atom N of residue 137
Atom C of residue 577
ARG
THR
Atom CG of residue 99
Atom CA of residue 36
Atom N of residue 122
MET
PRO
Atom CA of residue 78
Atom CA of residue 148
Atom C of residue 553
PRO
Atom CA of residue 15
PRO
Atom CD1 of residue 53
Atom CG of residue 12
Atom CA of residue 30
Atom CB of residue 21
Atom CA of residue 36
Atom CA of residue 114
Atom CA of residue 554
Atom NH1 of residue 69
Atom CZ of residue 125
Atom CA of residue 9
Atom CA of residue 25
Atom CB of residue 82
ASP
Atom CG of residue 85
Atom CA of residue 13
Atom N of residue 521
ASN
LEU
Atom C of residue 22
VAL
Atom CA of residue 83
Atom CG1 of residue 587
LEU
Atom CA of residue 2636
TYR
TYR
Atom CA of residue 438
Atom CA of residue 69
Atom CA of residue 19
Atom CE2 of residue 82
Atom CB of residue 68
GLU
Atom CD of residue 39
Atom O of residue 553
SER
Atom CA of residue 85
Atom CD2 of residue 53
Atom CA of residue 534
Atom CG of residue 20
Atom CG of residue 79
Atom C of residue 84
Atom CB of residue 111
VAL
Atom CB of residue 475
Atom NH2 of residue 69
Atom CA of residue 274
SER
Atom N of residue 135
Atom CA of residue 36
Atom CA of residue 130
Atom CA of residue 88
Atom N of residue 83
LEU
Atom CA of residue 15
PHE
Atom CA of residue 86
Atom CA of residue 483
Atom CA of residue 82
Atom C of residue 99
GLN
Atom NH2 of residue 149
GLY
SER
CYS
Atom CA of residue 2676
Atom CA of residue 135
VAL
SER
LYS
Atom CZ of residue 82
Atom CG of residue 68
Atom CA of residue 546
Atom CA of residue 124
Atom CA of residue 452
Atom CA of residue 271
Atom C of residue 12
Atom N of residue 40
Atom CD1 of residue 113
Atom CA of residue 35
ILE
Atom O of residue 84
UpdateRigidBodyMembers7
Atom CG of residue 111
Atom CD of residue 445
Atom CG of residue 475
Atom C of residue 525
ASN
LEU
Atom CA of residue 72
Atom C of residue 71
VAL
Atom CA of residue 39
Atom O of residue 22
Atom CG2 of residue 587
PRO
Atom O of residue 99
Atom CA of residue 83
Atom CA of residue 550
Atom CA of residue 61
Atom CA of residue 561
Atom CA of residue 519
Atom C of residue 69
Atom CA of residue 2634
GLU
Atom CA of residue 149
ASP
ASN
Atom CD of residue 12
Atom CA of residue 31
Atom CD of residue 20
Model 36
Atom CB of residue 55
Atom CD of residue 79
Atom C of residue 95
LEU
ALA
Atom O of residue 12
ALA
Atom CD2 of residue 113
Atom CA of residue 510
Atom CG2 of residue 461
UpdateRigidBodyMembers18
LEU
PRO
GLU
Atom CE of residue 445
Atom CA of residue 465
Atom O of residue 525
Atom O of residue 71
Atom CA of residue 239
GLY
Atom CA of residue 332
GLU
python stream rigid body rigid body positions
Atom OH of residue 144
TYR
THR
Atom NH1 of residue 125
Atom CA of residue 162
Atom CA of residue 53
GLN
Atom C of residue 15
GLN
Atom CA of residue 190
Atom O of residue 69
Atom CD1 of residue 97
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.mrc
AccumulateRigidBodyDerivatives18
Atom CA of residue 507
Atom CA of residue 86
Atom C of residue 25
ASN
Atom CG1 of residue 55
Atom O of residue 95
PRO
PHE
GLY
PRO
Atom N of residue 462
Atom OD1 of residue 99
Atom CA of residue 110
ALA
Atom CA of residue 484
Atom OXT of residue 587
MET
Atom CA of residue 122
Atom NZ of residue 146
Atom C of residue 438
Atom CA of residue 491
GLU
TRP
Atom CA of residue 124
Atom CA of residue 66
ASP
Atom CD of residue 147
Atom N of residue 145
Atom CA of residue 136
ARG
Atom CA of residue 558
Atom NH2 of residue 125
PRO
ASN
Atom CA of residue 131
Atom O of residue 15
GLU
Atom CA of residue 22
Atom OE1 of residue 20
Atom N of residue 80
Atom CD2 of residue 97
VAL
Atom CA of residue 79
Atom OD1 of residue 85
Atom O of residue 25
Atom C of residue 15
Atom CA of residue 115
Atom CA of residue 555
Atom N of residue 70
Atom CB of residue 553
Atom CA of residue 73
Atom N of residue 54
Atom CD2 of residue 570
Atom OD2 of residue 99
Atom CA of residue 137
Atom O of residue 438
Atom OE1 of residue 12
Atom CA of residue 17
PHE
ALA
HIS
Atom CA of residue 84
Model 30
Atom CA of residue 122
Atom C of residue 124
Atom CA of residue 2637
Atom CA of residue 150
Atom CA of residue 16
VAL
Atom CA of residue 70
PRO
GLU
Atom N of residue 83
ILE
Atom ND2 of residue 85
ASN
Atom CA of residue 535
Atom O of residue 15
ALA
LYS
THR
THR
Atom CA of residue 275
Atom N of residue 554
Atom CA of residue 53
Model 29
Atom CA of residue 23
Atom CA of residue 89
Atom C of residue 83
VAL
Atom CA of residue 521
Atom C of residue 550
GLY
Atom CB of residue 84
Atom CA of residue 87
Atom CD1 of residue 68
ILE
Atom CA of residue 83
ALA
PHE
ILE
Atom OE2 of residue 20
PRO
Atom CD of residue 111
Atom CA of residue 2677
Atom O of residue 124
Atom CD of residue 475
Atom CB of residue 99
PHE
Atom CA of residue 87
ASP
HIS
Atom CA of residue 66
Atom CA of residue 547
Atom CA of residue 272
PRO
Atom CA of residue 36
LYS
Atom CA of residue 485
Atom CB of residue 12
GLU
Model 0
VAL
Atom N of residue 114
GLN
Atom CA of residue 10
Atom O of residue 83
ASP
Atom O of residue 550
SER
Atom CA of residue 20
Atom CG of residue 84
Atom CD2 of residue 68
Atom NZ of residue 445
Atom CA of residue 137
ALA
Atom CB of residue 525
LEU
Atom CA of residue 132
CoarseCC5
Atom CB of residue 71
Atom CA of residue 62
Atom CA of residue 562
Atom CA of residue 23
Atom CA of residue 520
Atom CA of residue 80
Atom OE1 of residue 111
Atom CE of residue 475
PRO
Atom CG of residue 99
ASP
Atom CB of residue 69
GLY
ARG
Atom CA of residue 2635
LEU
Atom CA of residue 511
Atom C of residue 491
Atom C of residue 13
Atom CA of residue 83
SER
GLY
Atom CB of residue 95
Atom CA of residue 466
Atom CG of residue 12
LEU
ASP
mol0 rigid body rigid body positions
Atom CA of residue 240
Atom CA of residue 40
Atom O of residue 32
Atom CA of residue 333
Atom CG2 of residue 55
GLU
GLU
Atom CA of residue 151
Atom OG of residue 525
Atom N of residue 126
Atom CA of residue 163
Atom CA of residue 54
TYR
Atom OG of residue 71
ARG
Atom CA of residue 35
Atom CA of residue 191
1z5s_C_wrong.pdb
GLU
Atom CB of residue 15
Atom CA of residue 508
LEU
Atom CG of residue 69
Atom N of residue 98
Atom CA of residue 40
Atom C of residue 137
SER
Atom CB of residue 25
Atom O of residue 491
Atom N of residue 12
HIS
Atom CA of residue 111
LYS
Atom OG of residue 95
Atom C of residue 122
TYR
GLU
Atom CA of residue 123
Atom CA of residue 68
GLU
Atom CA of residue 7
ILE
Atom N of residue 100
Atom CA of residue 125
GLY
Atom N of residue 21
Atom N of residue 56
Atom C of residue 80
PHE
Atom CA of residue 559
SER
ARG
VAL
Atom CA of residue 17
Atom CB of residue 438
Atom CB of residue 83
Atom CA of residue 88
Atom CA of residue 43
GLN
Chain C
Atom CA of residue 80
Atom N of residue 16
Atom OG of residue 61
Atom C of residue 521
GLU
THR
Atom CA of residue 116
Atom CA of residue 556
Atom N of residue 86
LYS
Atom O of residue 137
Atom CG of residue 25
ASN
Atom CB of residue 15
Atom CA of residue 21
Atom O of residue 122
Atom CA of residue 138
GLN
Atom CA of residue 133
GLU
ILE
THR
PHE
Atom CA of residue 24
MET
Atom CA of residue 2646
ALA
Atom CG of residue 438
Atom CA of residue 43
Atom CA of residue 71
Atom CA of residue 2630
Atom CB of residue 124
ALA
Atom N of residue 446
VAL
THR
Atom CA of residue 54
Atom O of residue 521
Atom CA of residue 536
VAL
VAL
TYR
TYR
Atom CA of residue 90
Atom CA of residue 462
Atom CA of residue 41
Atom N of residue 16
GLU
ARG
Atom NH2 of residue 149
Atom O of residue 80
Atom CA of residue 86
Atom CA of residue 88
Atom CA of residue 486
Atom CA of residue 84
Atom CA of residue 152
PRO
Atom CB of residue 550
Atom CA of residue 36
LYS
Atom CE1 of residue 68
Atom CA of residue 2678
Atom N of residue 150
Atom CA of residue 2638
Atom CA of residue 70
ASN
Atom C of residue 83
Atom CD of residue 84
Atom OE2 of residue 111
Atom CA of residue 548
Atom CG of residue 124
Atom CA of residue 433
Atom CA of residue 273
LEU
Atom NZ of residue 475
GLU
Atom CA of residue 37
GLN
CYS
PRO
Atom OD1 of residue 99
Atom CA of residue 69
Atom CA of residue 38
ALA
VAL
ARG
PHE
Atom CA of residue 21
Atom CA of residue 83
LEU
mol2
Atom CA of residue 89
Atom CA of residue 63
Atom CG of residue 550
Atom CA of residue 563
Fit restraint scratch map
CYS
Atom CA of residue 521
Atom C of residue 76
Atom CD1 of residue 12
LEU
PRO
Atom C of residue 40
GLU
Atom O of residue 83
Atom NE of residue 84
Atom O of residue 115
ILE
LEU
Atom CA of residue 145
Atom CA of residue 2636
Atom N of residue 573
ALA
Atom N of residue 526
Atom CA of residue 554
Atom CA of residue 114
Atom CA of residue 512
Atom N of residue 72
TRP
ILE
Atom CB of residue 80
Atom CA of residue 467
Atom CA of residue 139
ALA
Atom OD2 of residue 99
Atom CA of residue 134
Atom CA of residue 8
Atom CB of residue 491
Atom CA of residue 241
MET
Atom CA of residue 25
Atom CA of residue 334
Atom CD of residue 69
Atom CA of residue 164
Atom CA of residue 55
ILE
Atom CA of residue 192
LEU
VAL
ALA
Atom N of residue 96
Atom CB of residue 148
ASP
Atom CD2 of residue 12
Atom O of residue 40
Atom CA of residue 509
Atom N of residue 9
TYR
GLU
GLY
PRO
Atom N of residue 116
Atom CA of residue 42
Atom C of residue 21
Atom CA of residue 112
ASP
THR
VAL
Atom CA of residue 130
GLU
Atom CA of residue 153
Atom CA of residue 124
Atom CB of residue 137
TRP
Atom C of residue 43
SER
Atom CG of residue 491
GLU
Atom CA of residue 126
Atom CA of residue 37
Atom N of residue 70
GLU
Atom CB of residue 122
Atom CA of residue 560
TYR
TYR
Atom CD of residue 25
Atom C of residue 54
Atom CA of residue 44
Atom CA of residue 9
ILE
Atom CA of residue 98
GLN
Atom CA of residue 434
Atom CA of residue 81
Atom CG2 of residue 148
Atom CA of residue 36
Atom CA of residue 6
Atom C of residue 462
LEU
Atom CG of residue 80
Atom CE2 of residue 68
Atom CA of residue 117
Model 20
GLN
Atom CA of residue 557
Atom CA of residue 126
VAL
Atom CD1 of residue 438
TYR
Atom N of residue 522
Atom CA of residue 100
VAL
Model 9
Atom N of residue 112
Atom N of residue 476
GLN
Atom C of residue 70
Atom CG of residue 137
Atom O of residue 43
Atom CA of residue 90
GLY
VAL
GLY
Atom CG of residue 122
Atom N of residue 26
Atom CA of residue 72
Atom O of residue 54
TRP
Atom CA of residue 2631
ARG
TYR
Atom CA of residue 86
VAL
PHE
Atom O of residue 462
GLU
Atom CA of residue 537
Atom O of residue 21
Atom C of residue 83
Atom CZ of residue 68
ILE
Atom CA of residue 2639
Atom CA of residue 140
LYS
Atom CD2 of residue 438
Atom CA of residue 135
Atom CA of residue 91
LEU
Atom CA of residue 50
ARG
Atom CA of residue 87
Atom CA of residue 89
VAL
Atom CA of residue 487
Atom OD1 of residue 124
VAL
Atom O of residue 70
HIS
Atom CA of residue 56
Atom CA of residue 2679
VAL
Atom C of residue 145
Atom CA of residue 446
Atom C of residue 554
Atom C of residue 114
Atom CA of residue 16
SER
GLY
mol_3 rigid body
Atom CA of residue 19
Atom CD of residue 80
Atom CA of residue 549
Atom CA of residue 274
ARG
Atom CA of residue 43
Atom CB of residue 83
Atom CD1 of residue 550
Atom CA of residue 38
Atom O of residue 83
ILE
Atom CZ of residue 84
Atom CA of residue 131
Atom CA of residue 86
Atom CA of residue 154
ASN
Atom CA of residue 39
Atom CA of residue 21
GLY
SER
Atom ND2 of residue 124
LEU
Atom N of residue 100
Atom CA of residue 64
Atom CA of residue 564
ALA
Atom CA of residue 522
Atom CA of residue 435
Atom O of residue 145
LEU
Atom O of residue 554
Atom O of residue 114
Atom CA of residue 24
Atom CB of residue 21
GLN
ILE
Atom CA of residue 2637
Atom N of residue 13
ASN
Atom CB of residue 40
PRO
Atom CA of residue 50
Atom CA of residue 513
THR
Atom CA of residue 14
Atom CG of residue 83
Atom CD2 of residue 550
Atom CA of residue 16
GLY
AccumulateRigidBodyDerivatives7
Atom CA of residue 468
ALA
Atom CA of residue 526
SER
Atom CA of residue 91
Atom CA of residue 72
Atom CA of residue 242
Atom CA of residue 335
Atom C of residue 98
GLU
Atom CA of residue 165
Atom CA of residue 56
mol1
ALA
Atom CA of residue 193
Atom N of residue 81
SER
Atom C of residue 126
Atom CA of residue 510
Atom CD of residue 491
Atom C of residue 100
CYS
GLY
Atom CA of residue 96
ARG
THR
Atom OG1 of residue 40
LYS
Atom CA of residue 136
THR
Atom CA of residue 4
GLY
Atom CA of residue 113
VAL
GLN
ARG
Atom CA of residue 125
Atom CA of residue 38
TYR
Atom CA of residue 127
Atom CB of residue 83
python stream rigid body
THR
Atom O of residue 98
SER
Atom CA of residue 74
Atom CA of residue 561
Atom C of residue 86
PHE
GLU
Atom CB of residue 43
Atom CB of residue 22
PHE
Atom CG of residue 21
Atom CA of residue 45
ASP
Atom CA of residue 82
Atom O of residue 126
Atom CD1 of residue 137
LEU
Atom OE1 of residue 491
Atom CB of residue 54
Atom CA of residue 522
Atom O of residue 100
Atom CA of residue 44
mol_0 rigid body
Atom OH of residue 68
Atom CD of residue 122
Atom CA of residue 118
Atom CA of residue 132
Atom CA of residue 558
ASP
Atom CA of residue 155
LYS
Atom CB of residue 462
THR
Atom C of residue 56
Atom C of residue 446
Atom N of residue 439
Atom C of residue 16
ASP
THR
LEU
Atom NH1 of residue 84
Atom CA of residue 436
Atom CB of residue 70
Atom O of residue 86
THR
Atom SG of residue 43
Atom CA of residue 73
Atom C of residue 126
Atom CA of residue 25
GLU
GLY
Atom CD2 of residue 137
LEU
ILE
Atom CG1 of residue 54
Atom N of residue 69
Atom CA of residue 112
Atom OE1 of residue 122
SER
Atom CA of residue 476
GLU
Atom CA of residue 2640
GLY
Atom CA of residue 92
Atom CG of residue 462
Atom CA of residue 92
Atom CA of residue 51
LEU
Atom O of residue 56
Atom CA of residue 88
Atom CA of residue 90
Atom CA of residue 488
Atom O of residue 446
Model 8
ALA
Atom O of residue 16
Model 49
Atom CG of residue 22
ILE
Atom CD of residue 21
Atom CA of residue 81
Atom CA of residue 70
Atom NH2 of residue 84
Atom CA of residue 2680
Atom N of residue 125
Atom OG1 of residue 70
ASN
ALA
Atom O of residue 126
Atom C of residue 16
HIS
Atom CA of residue 550
Atom CB of residue 145
PHE
Atom C of residue 526
Atom CB of residue 554
Atom CB of residue 114
Atom CA of residue 137
Atom CA of residue 15
Atom C of residue 72
Atom CA of residue 39
NormalizeRotation1
LEU
Atom CA of residue 87
ILE
Atom CA of residue 40
Atom CA of residue 39
Atom CA of residue 39
Atom CE1 of residue 550
PRO
THR
LYS
ALA
Atom CD of residue 83
VAL
Atom CA of residue 565
Atom CA of residue 27
ILE
Atom C of residue 96
ILE
PHE
Atom CA of residue 26
Atom CA of residue 45
Atom O of residue 16
GLU
Atom CG of residue 145
Atom CA of residue 2646
Atom CA of residue 133
LEU
Atom CA of residue 156
Atom O of residue 526
Atom N of residue 555
Atom CA of residue 51
Atom CG of residue 114
Atom CA of residue 514
VAL
Atom O of residue 72
VAL
Atom CA of residue 469
Atom CA of residue 100
Atom CA of residue 243
Atom N of residue 568
Atom OE1 of residue 21
Atom CA of residue 336
Atom C of residue 81
Atom CA of residue 437
Atom CG2 of residue 40
Atom CA of residue 166
Atom CA of residue 57
ASP
Atom C of residue 522
Atom OE1 of residue 83
Atom CA of residue 50
Atom CA of residue 194
Atom O of residue 96
Atom CB of residue 98
Atom CA of residue 13
Atom CA of residue 75
TYR
Atom CA of residue 511
Atom CD1 of residue 22
Atom CA of residue 84
Atom CA of residue 2638
ALA
PRO
Atom CB of residue 126
PRO
VAL
Atom CA of residue 93
Atom NE2 of residue 491
Atom CB of residue 100
Chain D
Atom CA of residue 114
ILE
ASP
MET
Atom CA of residue 126
ALA
PHE
Atom CA of residue 128
VAL
ALA
Atom N of residue 41
Atom CA of residue 562
ASN
ARG
P0
Atom O of residue 522
ILE
Atom CA of residue 46
Atom C of residue 112
Atom CG of residue 98
TYR
Atom C of residue 476
Atom CA of residue 83
ALA
Atom CB of residue 86
Atom CA of residue 138
GLU
Atom CA of residue 119
LEU
Atom CA of residue 559
VAL
Atom OG of residue 126
MET
Atom CE1 of residue 137
Atom CA of residue 40
Atom N of residue 44
Atom CG of residue 100
Atom OE2 of residue 21
Chain C
Atom O of residue 81
Atom C of residue 70
PRO
Atom OE2 of residue 122
PHE
Atom CG2 of residue 54
GLY
LYS
Atom CA of residue 28
Atom CB of residue 56
Atom N of residue 85
Atom CB of residue 446
Atom CB of residue 16
Atom OD1 of residue 462
Atom CA of residue 74
Atom CA of residue 46
Atom CE2 of residue 550
Atom CB of residue 126
Atom O of residue 112
Atom O of residue 476
Atom CA of residue 134
Atom CA of residue 157
Atom CG1 of residue 86
ASN
THR
CYS
GLU
Atom CA of residue 2641
Atom CG2 of residue 70
Atom CE of residue 146
Atom CA of residue 439
Atom CA of residue 93
ALA
GLN
Atom O of residue 70
Atom CA of residue 89
Atom CA of residue 91
Atom CG of residue 147
Atom CA of residue 489
Atom CB of residue 147
Atom CA of residue 438
Atom C of residue 26
Atom N of residue 55
Atom CD2 of residue 22
Atom CA of residue 51
PRO
LEU
Atom CG1 of residue 56
LEU
Atom CA of residue 2681
Atom CG of residue 446
CYS
CYS
Atom CG of residue 16
Atom OD2 of residue 462
THR
Atom CZ of residue 550
PRO
Atom CA of residue 551
TYR
Atom C of residue 100
THR
Atom CA of residue 94
Atom CA of residue 40
Atom CB of residue 16
LEU
Atom CB of residue 81
Atom CA of residue 88
Atom N of residue 71
Atom CB of residue 526
GLN
Atom CA of residue 27
Atom CA of residue 41
Atom CB of residue 72
PHE
PRO
ALA
Atom CA of residue 125
Atom CD of residue 145
Atom C of residue 13
PHE
LEU
Atom CA of residue 41
Atom CD1 of residue 114
Atom O of residue 26
Atom N of residue 492
PRO
GLU
Atom CA of residue 566
PRO
HIS
PRO
Atom CA of residue 139
Atom OE2 of residue 83
Atom CB of residue 96
LEU
LEU
Atom O of residue 100
Atom CA of residue 515
Atom N of residue 22
TYR
Atom CG of residue 16
Atom N of residue 78
LEU
Atom CA of residue 470
Atom CG of residue 526
ASP
Atom CG of residue 72
Atom CA of residue 244
THR
Atom CA of residue 29
Atom CA of residue 337
Atom OE1 of residue 145
Atom CA of residue 2639
Atom O of residue 13
Atom CD2 of residue 114
Atom CE2 of residue 137
Atom CA of residue 167
Atom CA of residue 41
Atom CA of residue 58
ASP
ASN
Atom CA of residue 47
Atom CA of residue 195
Atom N of residue 123
Atom CA of residue 135
Atom CA of residue 76
VAL
Atom CA of residue 512
LEU
Atom CB of residue 522
Atom CD2 of residue 116
Atom CA of residue 85
Atom CG of residue 81
Atom CG1 of residue 96
MapReaderWriter28
THR
CYS
Atom CE1 of residue 22
Atom CA of residue 115
GLU
LYS
Atom CD of residue 98
ALA
Atom CA of residue 439
Atom CA of residue 127
VAL
Atom CA of residue 129
Atom CA of residue 69
VAL
Atom CA of residue 563
Atom N of residue 127
Atom CZ of residue 137
MET
ASP
GLN
Atom CD of residue 100
Atom CA of residue 27
Atom CA of residue 47
PHE
PRO
THR
Atom CA of residue 84
Atom CA of residue 555
Atom CA of residue 95
Atom CG of residue 522
Atom CA of residue 27
GLY
Atom CB of residue 112
Atom CA of residue 120
Atom CB of residue 476
Atom CA of residue 560
ILE
THR
Atom CA of residue 543
Atom CA of residue 433
Atom OE1 of residue 98
Atom CG2 of residue 86
TRP
Atom CA of residue 44
GLY
PRO
Atom CB of residue 70
PRO
Atom CA of residue 140
Atom CA of residue 75
VAL
Atom OE1 of residue 100
Atom CA of residue 28
Atom OH of residue 550
Atom CD1 of residue 81
ARG
Atom C of residue 439
Atom N of residue 463
THR
Atom CA of residue 22
Atom CG2 of residue 56
Atom CA of residue 118
Atom CG1 of residue 112
Atom C of residue 125
ALA
HIS
Atom CD1 of residue 446
Atom CA of residue 2642
Atom CG1 of residue 476
Atom CD1 of residue 16
Atom CA of residue 94
Atom CA of residue 15
Atom N of residue 84
ARG
Atom CA of residue 90
Atom CA of residue 92
Atom CA of residue 490
THR
LEU
Atom N of residue 87
VAL
Atom CA of residue 48
Atom CA of residue 127
ILE
Atom OG of residue 70
Atom CA of residue 2682
Atom CA of residue 77
Atom CA of residue 136
LYS
Atom CA of residue 41
Atom CA of residue 5
PHE
SER
Atom CB of residue 26
Atom N of residue 551
Atom N of residue 41
VAL
ASN
Atom CA of residue 552
THR
Atom CG of residue 575
Atom CA of residue 41
Atom N of residue 57
GLY
Atom CA of residue 85
Atom O of residue 125
Atom CA of residue 440
Atom CD2 of residue 446
Atom CA of residue 89
ASP
Atom CB of residue 100
Atom CA of residue 42
Atom CD2 of residue 16
ARG
GLY
VAL
Atom CA of residue 42
Atom CA of residue 28
ASN
Atom CA of residue 567
Atom CD1 of residue 16
GLY
Atom OE2 of residue 145
Atom CB of residue 13
ILE
PRO
Atom CD of residue 526
Atom N of residue 115
Atom CA of residue 96
Atom CG of residue 26
Atom CD of residue 72
Atom CE2 of residue 22
Atom C of residue 22
LEU
LEU
Atom CA of residue 516
P1
mol1
GLN
Atom CA of residue 30
ASN
LYS
ASP
Atom C of residue 69
Atom CB of residue 149
Atom CA of residue 471
Atom CG of residue 100
Atom CA of residue 492
Atom CA of residue 245
LYS
Atom CA of residue 338
Atom CD2 of residue 81
Atom CG2 of residue 96
Atom CA of residue 2640
Atom C of residue 555
Atom OH of residue 137
Atom CA of residue 168
Atom CA of residue 42
Atom CA of residue 59
Atom CA of residue 74
HIS
Atom CA of residue 55
Atom CA of residue 196
Atom CD2 of residue 16
Atom CA of residue 146
Atom CG of residue 13
Atom OE1 of residue 526
GLY
Atom CA of residue 20
Atom CA of residue 514
Atom N of residue 73
Atom CA of residue 86
PHE
ALA
LEU
Atom C of residue 44
Atom CA of residue 116
VAL
GLU
Atom O of residue 69
VAL
Atom CA of residue 71
Atom CA of residue 128
mol1 rigid body rigid body positions
ARG
Atom CD1 of residue 522
Atom CA of residue 49
Atom CA of residue 130
ARG
LYS
Atom CD1 of residue 96
Atom OE2 of residue 98
Atom CA of residue 123
Atom CA of residue 137
Atom CA of residue 564
Atom O of residue 555
Atom N of residue 138
MET
ASP
ILE
Atom O of residue 22
Atom CA of residue 48
PRO
Atom CA of residue 85
Atom CA of residue 127
Atom CA of residue 13
THR
Atom OE2 of residue 100
Atom CZ of residue 22
Atom CA of residue 121
PHE
Atom CA of residue 449
Atom CA of residue 561
GLU
THR
Atom O of residue 44
Atom CA of residue 29
Atom C of residue 127
Atom CA of residue 544
Atom CA of residue 434
Atom C of residue 41
GLU
Atom CD2 of residue 522
Atom CA of residue 26
ASN
TRP
Atom CG2 of residue 112
TYR
Atom CG2 of residue 476
TYR
Atom CA of residue 97
Atom CA of residue 76
Atom CG2 of residue 117
Atom C of residue 85
LEU
Atom NH2 of residue 115
PHE
Atom N of residue 82
Atom N of residue 71
Atom CA of residue 441
Atom N of residue 146
LYS
Atom CA of residue 2643
Atom CA of residue 95
LYS
Atom CB of residue 13
Atom O of residue 127
ASP
ALA
Atom CA of residue 91
Atom CA of residue 93
Atom CA of residue 491
Atom CB of residue 125
PRO
Atom N of residue 447
Atom O of residue 41
LYS
Atom NE1 of residue 16
Atom CA of residue 17
ALA
Atom N of residue 23
Atom N of residue 113
Atom CA of residue 2683
Atom N of residue 477
Atom CA of residue 463
VAL
Atom O of residue 85
Atom CA of residue 553
VAL
Atom C of residue 492
Atom CA of residue 84
Atom CA of residue 42
PHE
ILE
SER
Atom CA of residue 78
LYS
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom CA of residue 90
PRO
PRO
Atom CA of residue 43
1tdx.pdb
Atom CD1 of residue 26
Chain A
Atom C of residue 55
Atom CA of residue 50
ASN
ALA
Atom CG1 of residue 125
LEU
Atom CA of residue 138
THR
THR
P2
Atom O of residue 21
LEU
Atom CA of residue 568
ASP
Atom CA of residue 141
LYS
ASN
Atom CD of residue 100
Atom CA of residue 75
Atom NE1 of residue 16
Atom N of residue 99
ASN
PRO
ALA
Atom C of residue 71
Atom OE2 of residue 526
Atom CA of residue 518
Atom O of residue 492
PRO
PHE
Atom CG of residue 13
HIS
ASP
VAL
Atom C of residue 123
Atom CA of residue 472
Atom CD of residue 13
Chain
Atom CD2 of residue 26
CoarseCC4
Atom O of residue 55
Atom CA of residue 246
Atom N of residue 101
Atom CA of residue 27
VAL
Atom CA of residue 339
Atom CB of residue 69
Atom CA of residue 2641
CYS
Atom CA of residue 87
Atom CA of residue 115
Atom C of residue 127
Atom CA of residue 169
Atom CA of residue 60
Atom CA of residue 515
Atom CA of residue 98
THR
Atom CA of residue 197
PHE
Atom N of residue 97
Atom OE1 of residue 100
Atom CB of residue 555
CYS
Atom O of residue 577
Atom CA of residue 35
Atom O of residue 21
Atom CB of residue 41
Atom CA of residue 87
GLU
Atom CA of residue 442
GLU
Atom O of residue 71
Atom O of residue 570
Atom CA of residue 24
VAL
SER
Atom CA of residue 57
Atom CA of residue 117
TYR
ALA
GLN
Atom O of residue 123
Atom NE of residue 13
Atom CA of residue 129
Atom CA of residue 29
Atom CB of residue 44
PRO
ALA
Atom CA of residue 131
LYS
Atom CA of residue 23
Atom CG of residue 69
LYS
Atom CA of residue 565
Atom O of residue 127
PHE
MET
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom N of residue 523
Atom CA of residue 49
LEU
LYS
Atom CA of residue 86
Atom CG of residue 555
THR
Atom CE2 of residue 16
Atom CD of residue 13
ARG
Atom CA of residue 122
GLU
Atom CA of residue 562
VAL
Atom CA of residue 3
HIS
Atom CA of residue 30
Atom CA of residue 551
Atom CA of residue 545
Atom CA of residue 435
Atom CA of residue 139
PRO
Atom C of residue 463
GLU
Atom N of residue 45
Atom CB of residue 127
Atom CA of residue 28
SER
Atom CB of residue 41
CYS
Atom CA of residue 77
LEU
Atom C of residue 84
LYS
GLU
SER
SER
Atom CA of residue 11
ARG
Atom CA of residue 73
Atom CA of residue 69
Atom CA of residue 142
Atom CA of residue 82
Atom CB of residue 85
ASN
SER
Atom CA of residue 2644
Atom CA of residue 96
Atom C of residue 23
LEU
Atom CE2 of residue 16
Atom CA of residue 92
Atom CA of residue 94
Atom CA of residue 71
Atom CA of residue 492
THR
GLN
Atom CA of residue 449
Atom N of residue 527
Atom O of residue 463
ARG
Atom CA of residue 99
Atom CG of residue 127
PRO
GLY
Atom CA of residue 453
Atom CA of residue 2684
Atom CG1 of residue 41
ALA
Atom O of residue 84
TYR
Atom CA of residue 554
Atom CG2 of residue 125
Atom CA of residue 443
THR
LEU
Atom CA of residue 43
GLN
Atom CG of residue 85
Atom CA of residue 79
Atom CA of residue 447
Atom CA of residue 91
Atom C of residue 87
THR
Atom C of residue 115
Atom CA of residue 44
Atom CB of residue 492
ARG
LYS
ASP
SampledDensityMap14
Atom CA of residue 519
Atom N of residue 27
Atom CB of residue 55
normalize rigid bodies
Atom CA of residue 29
Atom CA of residue 569
Atom N of residue 22
LYS
VAL
Atom CA of residue 76
PRO
VAL
Atom C of residue 57
GLN
Atom CA of residue 437
GLU
Atom CD1 of residue 125
PHE
Atom OE2 of residue 100
Atom CA of residue 138
ASN
ILE
Atom O of residue 23
MET
GLU
SER
Atom CA of residue 473
Atom CA of residue 140
Atom CB of residue 71
Atom O of residue 87
Atom O of residue 115
GLU
Atom CG of residue 492
Atom CA of residue 247
Atom CA of residue 340
Atom CB of residue 123
Atom CA of residue 2642
Atom CZ of residue 13
Atom CA of residue 61
Atom CA of residue 516
ARG
PRO
Atom CG1 of residue 55
Atom CA of residue 198
Atom CA of residue 113
Atom CA of residue 99
PRO
Atom CA of residue 477
Atom CB of residue 127
Atom C of residue 551
Atom CA of residue 70
Atom CA of residue 143
Atom O of residue 57
Atom CA of residue 88
Atom CD of residue 69
ILE
GLN
Atom OD2 of residue 136
Atom CA of residue 25
ILE
Atom CA of residue 101
Atom CA of residue 118
GLN
GLY
ASP
ASN
Atom CG of residue 71
Atom CA of residue 30
Atom CD1 of residue 555
GLU
Atom CA of residue 100
GLY
Atom CD1 of residue 570
THR
LEU
Atom CA of residue 97
Atom CG of residue 123
Atom CA of residue 566
GLU
Atom C of residue 73
THR
Atom C of residue 82
P1
Atom CA of residue 500
ALA
Atom CA of residue 444
Atom CA of residue 87
LYS
Atom CG of residue 127
ILE
Atom O of residue 551
Atom CB of residue 23
Atom CA of residue 14
Atom C of residue 71
Atom N of residue 70
Atom CA of residue 123
PRO
Atom CA of residue 563
TYR
LEU
Atom CE3 of residue 16
Atom CA of residue 31
Atom CA of residue 546
Atom CA of residue 436
Atom CD2 of residue 555
HIS
Atom CA of residue 523
Atom CA of residue 30
ALA
LYS
Atom CB of residue 463
Atom CA of residue 78
Atom O of residue 73
SER
GLU
Atom O of residue 82
Atom C of residue 447
Atom O of residue 575
Atom CB of residue 84
Atom CD of residue 127
Atom CE3 of residue 16
Atom O of residue 71
ARG
Atom CA of residue 141
Atom CA of residue 2645
Atom CG2 of residue 41
Atom CA of residue 97
ASP
LYS
Atom CA of residue 93
Atom CA of residue 95
Atom CA of residue 493
ALA
Atom N of residue 101
UpdateRigidBodyMembers0
LEU
ARG
Atom CD1 of residue 85
Atom CA of residue 2685
GLU
Atom C of residue 138
Atom CA of residue 12
Atom OG1 of residue 463
Atom CA of residue 71
Atom CA of residue 144
Atom CG1 of residue 23
PRO
Atom CA of residue 555
Atom O of residue 447
Atom NH1 of residue 13
Atom CA of residue 450
PRO
Atom CG of residue 84
Atom N of residue 128
Atom CA of residue 44
Atom CZ2 of residue 16
GLU
Atom N of residue 126
Atom CA of residue 80
ARG
Atom N of residue 42
Atom CA of residue 92
Chain A
Atom CA of residue 527
LYS
Atom CA of residue 45
AccumulateRigidBodyDerivatives0
Atom CA of residue 101
Atom CB of residue 32
Atom CA of residue 45
mol0 rigid body
Atom C of residue 113
Atom CA of residue 438
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom C of residue 99
Atom C of residue 477
PRO
Atom CB of residue 87
ALA
Atom N of residue 116
Atom CA of residue 520
Atom CZ2 of residue 16
Atom CA of residue 570
Atom CD2 of residue 85
LYS
Atom CA of residue 445
TYR
Atom O of residue 138
Atom CA of residue 77
GLN
Atom OD1 of residue 492
Atom C of residue 101
Atom C of residue 14
PRO
Atom NH2 of residue 13
VAL
Atom CG2 of residue 55
ILE
VAL
THR
Atom CB of residue 57
THR
Atom C of residue 97
GLN
Atom CA of residue 474
Atom CA of residue 27
Atom CA of residue 248
Atom CA of residue 341
Atom CA of residue 52
Atom O of residue 113
Atom O of residue 99
Atom CA of residue 2643
Atom O of residue 477
ALA
Atom CG of residue 87
ILE
Atom CA of residue 62
Atom CA of residue 517
LYS
PRO
TRP
SER
Atom CA of residue 199
TYR
Atom CG2 of residue 23
Atom CD1 of residue 71
Atom CA of residue 37
Atom OD2 of residue 492
Atom O of residue 101
Atom O of residue 14
Atom CA of residue 89
Atom CD of residue 123
Atom CA of residue 142
LYS
Atom CA of residue 26
UpdateRigidBodyMembers3
LEU
LYS
Atom N of residue 56
Atom C of residue 523
Atom CB of residue 551
Atom N of residue 58
Atom CA of residue 119
GLU
ASP
SER
Atom O of residue 97
ALA
Atom CA of residue 31
Atom CD of residue 127
THR
GLU
created density map
ASN
LYS
LYS
Atom CA of residue 567
Atom N of residue 556
GLY
Atom CA of residue 17
Atom CA of residue 72
Atom CA of residue 145
Atom CA of residue 501
LEU
Atom CA of residue 88
THR
Atom CD2 of residue 71
Atom CB of residue 73
Atom CB of residue 82
Atom CA of residue 124
Atom N of residue 124
PRO
VAL
Atom CA of residue 564
GLN
LYS
LEU
Atom CA of residue 432
Atom CA of residue 102
Atom O of residue 523
Atom CA of residue 81
Atom CG of residue 551
Atom CA of residue 547
Atom CA of residue 437
Atom CB of residue 71
GLU
Atom N of residue 128
MET
Atom CZ3 of residue 16
CoarseCC7
LEU
Atom N of residue 24
Atom CA of residue 446
Atom CA of residue 476
ALA
PHE
Atom CA of residue 79
SER
Atom C of residue 527
Atom C of residue 45
Atom CG of residue 73
Atom CZ3 of residue 16
Atom CG of residue 82
GLY
Atom CB of residue 447
Atom CA of residue 2662
python stream
Atom CA of residue 98
ConjugateGradients
Atom CG2 of residue 463
GLY
PHE
ARG
PRO
Atom CA of residue 94
Atom CA of residue 96
Atom OG of residue 71
Atom CA of residue 494
GLU
SER
GLU
LEU
Atom CD of residue 84
ASP
PRO
ASP
GLU
Atom CA of residue 2686
SER
Atom N of residue 86
Atom CA of residue 556
Atom O of residue 147
Atom N of residue 14
Atom CA of residue 143
Atom CA of residue 451
Atom O of residue 527
Atom CB of residue 138
LEU
ASP
Atom C of residue 27
Atom O of residue 45
Atom CA of residue 45
Atom CH2 of residue 16
LEU
Atom CA of residue 70
Atom CA of residue 81
Atom CG of residue 447
ASN
Atom CA of residue 93
Atom CA of residue 101
ASN
Atom CA of residue 116
Atom CA of residue 46
Atom N of residue 464
Atom CA of residue 82
THR
Atom CA of residue 439
LEU
ASN
Atom CA of residue 521
Atom CA of residue 22
Atom NE of residue 84
ASN
Atom CA of residue 571
Atom CA of residue 73
Atom CA of residue 146
Atom CB of residue 113
Atom CB of residue 99
PRO
Atom CB of residue 477
Atom CA of residue 78
LEU
PHE
ASN
Atom CA of residue 126
THR
GLU
THR
Atom CD1 of residue 87
Atom SG of residue 138
Atom CH2 of residue 16
Atom CA of residue 103
Atom O of residue 27
Atom N of residue 493
Atom CB of residue 101
GLN
GLY
Atom CB of residue 14
Atom CA of residue 475
SER
VAL
Atom CA of residue 249
Atom CA of residue 24
Atom CA of residue 342
Atom CA of residue 53
PHE
Atom CB of residue 97
Atom CA of residue 447
Atom CA of residue 2644
Atom CA of residue 63
Atom CA of residue 518
GLU
Atom CA of residue 38
Atom CA of residue 200
SER
Atom CB of residue 78
Atom CG of residue 113
Atom CG of residue 99
Atom OG of residue 477
Atom CA of residue 90
Atom CA of residue 474
Atom N of residue 72
Atom CD2 of residue 87
Atom CA of residue 27
GLU
ALA
Atom N of residue 102
ILE
Atom CA of residue 128
Atom CG of residue 14
Atom CA of residue 120
GLN
GLY
VAL
ASN
Atom CA of residue 42
Atom CA of residue 455
Atom CA of residue 32
Atom OD1 of residue 567
ASP
Atom CB of residue 523
GLY
GLY
Atom CG of residue 97
Atom CA of residue 568
PHE
LEU
Atom CA of residue 20
Atom CD1 of residue 551
ALA
Atom CA of residue 144
Atom CA of residue 89
LEU
TRP
LEU
Atom CA of residue 125
LEU
ALA
Atom CA of residue 565
GLU
ALA
LYS
Atom CA of residue 83
LYS
Atom C of residue 24
Atom CA of residue 548
ASN
LEU
Atom CA of residue 556
GLY
Atom CG of residue 523
Atom CD of residue 73
LEU
GLU
THR
Atom CA of residue 438
Atom CD1 of residue 82
Atom CG of residue 78
GLU
Atom N of residue 17
Atom CA of residue 13
Atom CA of residue 80
Atom CD2 of residue 551
Atom C of residue 70
TYR
Atom C of residue 101
Atom C of residue 116
Chain A
Atom CA of residue 15
Atom CA of residue 104
Atom CA of residue 58
Atom CA of residue 475
LEU
VAL
Atom CA of residue 141
Atom CB of residue 527
Atom CA of residue 99
Atom CB of residue 45
Atom CA of residue 56
THR
Atom N of residue 17
TRP
Atom CA of residue 95
Atom CA of residue 97
Atom CA of residue 495
Atom CA of residue 448
GLN
SER
VAL
Atom N of residue 74
Atom CA of residue 39
Atom CA of residue 36
ILE
Atom CA of residue 147
Atom CD2 of residue 82
Atom CB of residue 116
Atom CA of residue 2687
Atom C of residue 126
Atom CD1 of residue 447
MET
Atom CZ of residue 84
GLY
Atom O of residue 70
Atom CA of residue 557
Atom CA of residue 452
Atom O of residue 101
Atom O of residue 116
GLY
Atom CA of residue 9
LYS
Atom O of residue 24
Atom CA of residue 46
DensityMap10
LEU
Atom CA of residue 124
Atom CA of residue 82
xxx.em
Atom CA of residue 2647
Atom CA of residue 94
Atom CA of residue 456
Atom CG of residue 527
PRO
Atom CA of residue 47
Atom CB of residue 27
Atom CG1 of residue 45
ARG
Atom CD of residue 78
Atom CA of residue 440
SER
Atom CA of residue 128
Atom N of residue 139
Atom CA of residue 522
Atom CA of residue 572
Atom CA of residue 86
Atom O of residue 126
Atom CD2 of residue 447
Atom CA of residue 145
SER
Atom CA of residue 79
ARG
Atom C of residue 572
Atom C of residue 128
LYS
ILE
Atom C of residue 42
LYS
ARG
Atom CA of residue 237
GLU
GLN
LYS
Atom CD of residue 113
Atom CD of residue 99
ARG
Atom CA of residue 476
Atom N of residue 478
Atom CE1 of residue 87
ARG
Atom CG of residue 27
Atom CA of residue 250
MET
Atom CA of residue 343
Atom CA of residue 54
LEU
Atom CA of residue 2645
Atom CA of residue 14
GLN
Atom CA of residue 64
Atom CA of residue 17
Atom CA of residue 572
Atom CA of residue 519
LEU
ASP
Atom CA of residue 201
Atom CD of residue 14
GLU
ILE
Atom CA of residue 105
Atom CA of residue 493
Atom O of residue 128
Atom CA of residue 40
Atom CB of residue 24
Atom CA of residue 91
Atom CA of residue 476
Atom CD1 of residue 97
Atom O of residue 42
LEU
Atom CA of residue 142
Atom C of residue 556
GLU
Atom CA of residue 121
THR
THR
Atom OE1 of residue 78
Atom OE1 of residue 113
Atom OE1 of residue 99
ASP
Atom CA of residue 465
SER
GLN
Atom CA of residue 33
GLU
Atom CA of residue 40
ARG
LYS
Atom CA of residue 569
ASP
Atom CA of residue 53
Atom CE of residue 14
Atom C of residue 58
Atom O of residue 43
PRO
Atom CA of residue 90
ALA
Atom CA of residue 72
ASP
Atom C of residue 56
Atom CD1 of residue 523
Atom CE1 of residue 551
Atom CD2 of residue 97
Atom CA of residue 126
PHE
LEU
Atom CA of residue 566
GLN
Atom CA of residue 457
Atom O of residue 556
LEU
P1
Atom NH1 of residue 84
Atom CA of residue 549
PHE
ASP
ARG
LEU
Atom CD of residue 21
SER
Atom CA of residue 439
Atom CA of residue 146
PRO
PRO
Atom CA of residue 81
LYS
ASN
Atom OG1 of residue 24
Atom O of residue 58
Atom CB of residue 43
Atom CE1 of residue 82
VAL
Atom C of residue 124
VAL
Atom CA of residue 28
Atom O of residue 56
Atom CD2 of residue 523
Atom CA of residue 102
Atom ND2 of residue 567
Atom OE2 of residue 78
Atom CB of residue 70
GLY
Atom CB of residue 101
Atom CB of residue 116
Atom C of residue 128
Atom CA of residue 100
Atom NH2 of residue 84
ASN
VAL
GLU
Atom C of residue 86
Atom CA of residue 96
Atom CA of residue 98
Atom CA of residue 496
LYS
Atom CA of residue 238
Atom CA of residue 496
VAL
HIS
THR
Atom CA of residue 148
Atom CA of residue 2688
LYS
Atom CE2 of residue 87
Atom OD1 of residue 527
GLU
Atom CA of residue 106
Atom CG2 of residue 45
Atom CA of residue 41
Atom CD of residue 21
THR
Atom N of residue 149
Atom CA of residue 477
Atom CA of residue 558
Atom O of residue 124
Atom CB of residue 126
Atom N of residue 448
Atom CA of residue 453
ILE
Atom CA of residue 143
Atom CA of residue 4
Atom CA of residue 47
ASN
Atom OG of residue 70
Atom CA of residue 83
LEU
Atom C of residue 14
Atom CA of residue 2648
Atom CA of residue 95
Atom N of residue 102
Atom CA of residue 66
Atom CG1 of residue 116
Atom O of residue 128
Atom CA of residue 48
Atom CA of residue 17
Atom CA of residue 41
Atom O of residue 86
Atom CA of residue 441
ALA
Atom CA of residue 523
Atom CA of residue 8
Atom C of residue 493
Atom CA of residue 573
Atom CG2 of residue 24
Model 26
GLY
Atom CZ of residue 87
Atom OD2 of residue 527
Atom CA of residue 139
Atom CA of residue 80
Atom CD of residue 27
Atom CD1 of residue 45
GLY
ARG
GLN
Atom CG of residue 126
ARG
PRO
Atom CA of residue 458
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/three_particles_in.em
Atom CB of residue 128
ASP
THR
Atom CA of residue 450
Atom CA of residue 477
Atom O of residue 14
Atom CB of residue 42
GLY
Atom CA of residue 251
Atom CE2 of residue 551
Atom CA of residue 344
Atom CA of residue 55
ALA
Atom OE2 of residue 113
Atom OE2 of residue 99
Atom CA of residue 2662
Atom CA of residue 147
Atom CA of residue 478
Atom C of residue 72
Atom CA of residue 65
Atom CA of residue 520
ALA
Atom O of residue 493
GLY
Atom CA of residue 74
TRP
Atom CA of residue 202
Atom CA of residue 17
SER
GLU
Atom NE of residue 27
Atom NZ of residue 14
Atom CA of residue 92
Atom CA of residue 2
ASP
Atom CA of residue 36
ASP
Atom CA of residue 6
Atom CG of residue 128
TRP
Atom CA of residue 122
Atom CE2 of residue 82
GLY
THR
Atom N of residue 98
ALA
Atom OG of residue 42
Atom CA of residue 239
Atom CB of residue 556
TYR
Atom CZ of residue 551
VAL
Atom N of residue 25
Atom C of residue 115
LEU
Atom O of residue 148
ASN
ARG
Atom O of residue 72
Atom CA of residue 570
ALA
Atom CA of residue 107
Atom C of residue 102
Atom CA of residue 42
Atom CA of residue 41
Atom CA of residue 478
LEU
Atom CA of residue 91
GLU
ALA
Atom CA of residue 144
Atom CA of residue 55
Atom CB of residue 58
Atom SG of residue 43
Atom CA of residue 127
HIS
GLY
ALA
Atom CA of residue 567
THR
LYS
rigid bodies list
Atom CB of residue 56
Atom N of residue 524
Atom N of residue 85
Atom CA of residue 42
Atom CA of residue 550
Atom CZ of residue 82
ALA
GLU
Atom N of residue 557
TYR
LEU
Atom C of residue 464
CYS
Atom CA of residue 440
PRO
Atom CA of residue 82
Atom O of residue 102
Atom CA of residue 459
Atom C of residue 17
Atom OG of residue 58
Atom CB of residue 124
Atom CA of residue 451
ILE
Atom CA of residue 43
LYS
Atom CA of residue 101
GLU
Atom CG1 of residue 56
LYS
LEU
PRO
ASP
GLY
Atom CA of residue 97
Atom CA of residue 99
Atom CA of residue 497
Atom CA of residue 148
Atom CB of residue 128
Atom C of residue 139
Atom CA of residue 21
Atom O of residue 464
NullModifier6
MET
ILE
TYR
Atom CA of residue 149
Atom CB of residue 86
Atom N of residue 71
SER
Atom CA of residue 2689
Atom CA of residue 464
TYR
Atom OH of residue 87
ASP
Atom CG2 of residue 116
VAL
Atom N of residue 114
Atom N of residue 100
Atom CA of residue 559
Atom CA of residue 454
Atom N of residue 528
Atom O of residue 17
Atom N of residue 46
GLU
Atom CA of residue 359
GLU
Atom CG of residue 124
Atom CA of residue 84
Atom CA of residue 2649
Atom C of residue 478
Atom CA of residue 96
P314
Atom CA of residue 240
Atom CA of residue 49
Atom CA of residue 29
NormalizeRotation6
Atom CA of residue 22
Atom C of residue 74
GLU
Atom CA of residue 25
Atom C of residue 17
Atom N of residue 15
Atom CA of residue 442
Atom CD of residue 126
ALA
Atom CB of residue 14
VAL
LEU
Atom CG of residue 128
Atom O of residue 139
Atom CA of residue 524
SER
Atom CA of residue 108
Atom CA of residue 574
Atom CG of residue 86
SER
Atom CA of residue 479
THR
GLN
Atom CA of residue 145
Atom N of residue 88
Atom CD1 of residue 116
ASN
Atom CA of residue 81
Atom CB of residue 493
VAL
Atom N of residue 44
ARG
ASP
ASP
PRO
ASN
LYS
Atom CZ of residue 27
PRO
Atom CA of residue 43
TYR
MET
Atom CA of residue 478
Atom O of residue 478
Atom CA of residue 252
Atom O of residue 74
Atom N of residue 552
Atom CA of residue 345
Atom O of residue 17
ALA
Atom CA of residue 56
PHE
Atom OE1 of residue 126
Atom OG1 of residue 14
Atom CA of residue 38
Atom CA of residue 521
MET
Atom CD1 of residue 128
Atom CA of residue 203
Atom N of residue 72
Atom N of residue 574
Atom N of residue 43
Atom CB of residue 72
Atom CA of residue 460
Atom N of residue 494
Atom CA of residue 93
ALA
Atom CB of residue 148
Atom CA of residue 452
Atom CA of residue 102
CYS
VAL
LYS
Atom O of residue 32
Atom C of residue 25
Atom CA of residue 123
Atom N of residue 83
GLY
THR
LEU
Atom CA of residue 149
Atom CA of residue 67
THR
TRP
PRO
ARG
VAL
TYR
Atom CA of residue 2647
Atom CA of residue 571
GLU
Atom CA of residue 535
Atom CD2 of residue 128
LEU
Atom CA of residue 448
Atom CA of residue 92
ASN
GLN
Atom N of residue 73
PRO
Atom CG of residue 570
Atom CB of residue 102
Atom CA of residue 56
CYS
Atom CA of residue 98
Atom CA of residue 128
PRO
THR
Atom CA of residue 568
GLY
Atom CA of residue 241
GLU
Atom CA of residue 551
HIS
ASP
ARG
LYS
VAL
ARG
Atom CB of residue 464
GLY
Atom CA of residue 109
SER
Atom N of residue 59
Atom CA of residue 449
Atom CA of residue 480
GLN
Atom CA of residue 146
LEU
Atom CA of residue 83
Atom CG2 of residue 56
LYS
LYS
Atom C of residue 448
Atom CA of residue 524
Atom CG of residue 102
Atom CA of residue 44
Atom O of residue 25
GLY
Atom CA of residue 44
Atom CA of residue 102
Atom CB of residue 17
Atom CA of residue 85
ALA
GLY
Atom CA of residue 432
Atom CA of residue 100
Atom CA of residue 117
Atom NE of residue 149
Atom CA of residue 498
Atom OG of residue 464
Atom CA of residue 39
GLY
Atom NH1 of residue 27
ARG
PHE
Atom CA of residue 150
ASP
Atom CA of residue 441
Atom CA of residue 2690
Atom OD1 of residue 124
Atom CA of residue 461
LYS
Atom C of residue 570
Atom CB of residue 139
Atom N of residue 57
Atom CB of residue 21
CYS
Atom CA of residue 71
Atom CA of residue 560
Atom CA of residue 453
Atom CA of residue 455
PRO
Atom N of residue 117
DensityMap15
Atom CD1 of residue 128
PRO
Atom CD1 of residue 86
Atom CA of residue 85
Atom CA of residue 150
Atom CA of residue 2650
Atom CA of residue 97
Atom CA of residue 557
Atom CA of residue 50
Atom CG of residue 17
ILE
PHE
Atom CA of residue 443
python stream rigid body rigid body positions
LEU
Atom CB of residue 478
GLU
TYR
Atom CA of residue 525
LEU
Atom CA of residue 30
Atom NH2 of residue 27
Atom CA of residue 14
Atom CB of residue 74
Atom CA of residue 575
Atom CB of residue 17
PRO
Atom CA of residue 114
Atom CA of residue 100
Atom ND2 of residue 124
Atom NE2 of residue 126
VAL
Atom CA of residue 528
Atom C of residue 102
Atom CG of residue 139
Atom CA of residue 82
Atom CA of residue 46
ASP
ALA
Atom CA of residue 31
Atom CB of residue 25
PRO
PRO
Atom CG2 of residue 14
SER
GLN
Atom CD2 of residue 128
PHE
Atom CA of residue 15
Atom CA of residue 44
Atom CD2 of residue 86
Atom CA of residue 479
ALA
python stream
PRO
Atom CA of residue 110
VAL
Atom CA of residue 253
Atom CA of residue 346
Atom CA of residue 57
Atom CA of residue 481
Atom OG of residue 478
THR
Atom CA of residue 242
Atom CA of residue 522
THR
GLU
Atom CG of residue 74
Atom CA of residue 204
Atom CG of residue 17
Atom C of residue 98
Atom C of residue 147
SER
Atom O of residue 102
ALA
Atom CE1 of residue 128
Atom CA of residue 45
Atom CA of residue 94
Atom N of residue 15
Atom CA of residue 43
Atom C of residue 150
ALA
ASP
Atom CA of residue 328
Atom CA of residue 124
Chain C
ALA
MET
THR
Atom CA of residue 68
Atom CA of residue 40
HIS
ALA
LEU
Atom CA of residue 2648
Atom CA of residue 462
Atom CA of residue 572
Atom CA of residue 536
Atom C of residue 524
Atom CA of residue 5
Atom CG of residue 25
Atom NH2 of residue 149
Atom O of residue 98
LEU
Atom CA of residue 454
Atom CA of residue 93
ALA
Atom CA of residue 57
Atom CA of residue 552
Atom CA of residue 129
ASN
Atom O of residue 448
Atom CA of residue 151
LYS
Atom CA of residue 569
GLY
Atom CA of residue 147
SER
LYS
Atom CA of residue 552
GLN
ALA
LYS
ILE
SER
LEU
Atom OD1 of residue 102
PHE
Atom CA of residue 72
Atom C of residue 71
Atom CA of residue 18
PHE
Atom CA of residue 494
Atom CA of residue 84
Atom O of residue 524
ILE
ASN
Atom CA of residue 59
Atom CA of residue 83
Atom C of residue 557
Atom N of residue 465
ALA
Fit restraint internal rb map
Atom CA of residue 442
Atom N of residue 127
ILE
Atom CB of residue 448
GLN
Atom CA of residue 88
Atom CA of residue 45
Atom CA of residue 103
THR
Atom CA of residue 111
Atom CA of residue 16
ARG
LEU
ALA
Atom CA of residue 101
Atom C of residue 114
Atom CA of residue 482
Atom C of residue 100
Atom CA of residue 499
ASP
Atom C of residue 528
Atom CA of residue 243
LEU
Atom N of residue 28
Atom C of residue 46
Atom OD2 of residue 102
ILE
Atom CA of residue 151
Atom CD of residue 25
Atom O of residue 71
Atom CA of residue 2691
SER
Atom CA of residue 73
Atom CD of residue 17
Atom CA of residue 46
Atom C of residue 15
LEU
Atom C of residue 44
Atom N of residue 125
Atom CA of residue 456
Atom O of residue 557
ASP
ASN
ASP
Atom CA of residue 86
Atom CA of residue 2651
Atom CA of residue 432
Atom CA of residue 11
Atom CE1 of residue 128
Atom CA of residue 51
Atom CD of residue 139
Atom CA of residue 359
MapReaderWriter3
Atom CE2 of residue 128
Atom N of residue 87
Atom O of residue 114
Atom CA of residue 444
Atom O of residue 100
ALA
Atom CA of residue 463
SER
Atom O of residue 528
Atom CA of residue 526
ALA
Atom O of residue 46
Atom CA of residue 576
Atom CA of residue 124
Atom CA of residue 455
CYS
Atom C of residue 43
Atom CA of residue 117
Atom CA of residue 83
Atom NE of residue 17
Atom CA of residue 41
Atom CA of residue 10
ASP
Atom CA of residue 32
Atom O of residue 15
Atom O of residue 44
ILE
Atom CA of residue 152
Atom N of residue 479
ALA
ARG
Atom CB of residue 102
GLN
Atom CD of residue 74
PRO
Atom CD of residue 17
ASP
Atom CA of residue 480
ILE
ARG
Atom O of residue 134
Atom OE1 of residue 139
MET
Atom CA of residue 254
Atom CZ of residue 128
Atom N of residue 26
Atom CA of residue 347
Atom CA of residue 58
THR
LEU
Atom CA of residue 523
GLU
Atom C of residue 552
PRO
Atom CA of residue 205
Atom CA of residue 433
MapReaderWriter45
Atom O of residue 43
Atom CA of residue 57
SER
Atom CA of residue 95
Atom CB of residue 98
ALA
VAL
Atom CG of residue 102
ILE
TRP
Atom CA of residue 112
Atom CE of residue 74
Atom CA of residue 390
Atom CA of residue 329
Atom NE of residue 17
Atom CA of residue 125
VAL
Atom C of residue 72
Atom CA of residue 483
GLN
THR
Atom CA of residue 244
Atom CA of residue 69
TYR
Atom C of residue 494
ARG
GLN
Atom C of residue 59
Atom C of residue 83
ASP
VAL
Atom CA of residue 2649
Atom CA of residue 573
Atom CA of residue 7
Atom O of residue 552
Atom CA of residue 47
Atom CA of residue 94
GLY
Atom C of residue 88
Atom CB of residue 524
Atom CA of residue 58
Atom CG of residue 98
LEU
Atom CA of residue 570
Chain C
Atom CA of residue 148
ILE
TYR
1tdx.pdb
PHE
LEU
Atom CA of residue 553
ARG
Atom O of residue 72
LEU
Atom CG of residue 448
Atom C of residue 73
Atom CA of residue 464
GLU
THR
Atom O of residue 494
ALA
ASN
Atom O of residue 59
Atom O of residue 83
Atom CA of residue 456
Atom CE2 of residue 128
Atom CA of residue 19
HIS
VAL
Atom N of residue 103
Atom CB of residue 71
Atom CA of residue 153
Atom O of residue 88
ILE
Atom CG of residue 524
Atom CA of residue 443
GLU
ASP
Atom CA of residue 15
Atom CA of residue 46
ALA
Atom CB of residue 557
Atom CA of residue 104
Atom CA of residue 465
Atom OE2 of residue 32
TYR
Chain
CoarseCC6
Atom CA of residue 26
LEU
PHE
Atom CA of residue 102
Atom CA of residue 500
Atom O of residue 73
Atom C of residue 117
LEU
Atom CA of residue 86
GLY
PRO
GLN
Atom CA of residue 152
P2
Atom CB of residue 114
Atom CA of residue 2692
Atom CB of residue 100
Atom CB of residue 147
Atom CA of residue 18
Atom CB of residue 528
Atom CZ of residue 128
Atom CB of residue 46
ARG
SER
ASP
Atom OG of residue 71
Atom CA of residue 127
LYS
Atom CA of residue 457
Atom CZ of residue 17
Atom CA of residue 113
Atom CB of residue 15
ILE
Atom CB of residue 44
Atom CA of residue 484
Atom CA of residue 2652
ALA
SER
Atom CA of residue 12
Atom CA of residue 259
Atom CG of residue 557
Atom CA of residue 52
GLU
Atom N of residue 129
Model 3
Atom CA of residue 445
SampledDensityMap25
THR
CYS
Atom O of residue 117
Atom NE2 of residue 139
Atom CA of residue 527
Atom C of residue 57
LYS
Atom CA of residue 577
Atom CA of residue 125
Atom CG of residue 114
Atom CG of residue 100
Atom CA of residue 125
LEU
Atom CA of residue 11
Atom CG of residue 528
Atom CA of residue 537
Atom CA of residue 84
Atom CA of residue 42
Atom CG of residue 46
LEU
TYR
Atom CB of residue 83
Atom CB of residue 43
LEU
VAL
Atom CA of residue 28
THR
LYS
Atom C of residue 26
Atom N of residue 16
Atom N of residue 45
Fit restraint
Atom CA of residue 87
ALA
Atom CA of residue 481
Atom CD of residue 448
Atom CA of residue 479
Atom CA of residue 465
Atom CA of residue 245
Atom CA of residue 255
Atom NZ of residue 74
GLY
Atom CA of residue 348
Atom CZ of residue 17
Atom CA of residue 59
LEU
Atom OD1 of residue 102
DensityMap887
Atom CD of residue 146
GLU
Atom CA of residue 524
Atom O of residue 57
Atom CA of residue 31
Atom CA of residue 206
Atom CA of residue 154
LEU
Atom CB of residue 552
Atom CA of residue 392
PRO
Atom CA of residue 96
Atom CA of residue 43
Atom CA of residue 434
Atom CG of residue 43
LEU
PRO
ARG
Atom CA of residue 11
Atom CA of residue 330
Atom CA of residue 126
VAL
ALA
LYS
Atom NE of residue 448
Atom CA of residue 70
Atom CA of residue 328
ASP
TYR
Atom CA of residue 76
ALA
Atom CB of residue 72
GLY
Atom CD of residue 98
Atom CA of residue 2650
Atom CA of residue 433
Atom CA of residue 574
Atom OD2 of residue 102
Atom CB of residue 494
Atom CB of residue 59
Atom C of residue 15
Atom CA of residue 95
LYS
Atom CA of residue 508
Atom C of residue 465
Atom CA of residue 114
LEU
Atom CA of residue 59
Atom CG of residue 552
Atom O of residue 26
LYS
Atom CA of residue 7
Atom CA of residue 571
ASP
Atom CA of residue 149
Atom CB of residue 88
ARG
GLU
CYS
Atom CA of residue 554
ILE
LYS
LYS
ASP
HIS
GLN
Atom NH1 of residue 17
Atom CD of residue 524
Atom NH1 of residue 115
ASN
ARG
ILE
Atom CG of residue 72
Atom OE1 of residue 98
Atom C of residue 127
Atom CA of residue 457
Atom CB of residue 73
Atom N of residue 129
GLY
PRO
Atom CG1 of residue 494
Atom CG of residue 59
Atom O of residue 15
Atom N of residue 140
Atom O of residue 465
Atom CA of residue 444
VAL
Atom CG of residue 88
Atom CA of residue 466
Atom CA of residue 47
Atom CA of residue 246
Atom CA of residue 105
GLY
Atom CA of residue 1
LYS
LYS
Atom CA of residue 103
Atom N of residue 72
Atom CA of residue 476
Atom C of residue 125
Atom CA of residue 501
Atom NH2 of residue 17
LYS
Atom CA of residue 87
Atom CE of residue 524
Atom CA of residue 103
Atom CA of residue 32
GLN
Atom CA of residue 153
THR
Atom CA of residue 2693
Atom O of residue 127
Atom CA of residue 155
Atom OG1 of residue 73
Atom CD of residue 557
GLY
LEU
Atom C of residue 28
Atom N of residue 75
Atom NH1 of residue 17
Atom CB of residue 26
ILE
VAL
Atom C of residue 87
Atom CA of residue 485
Atom C of residue 479
ILE
ASN
GLN
Atom CD of residue 114
Atom OD1 of residue 100
Atom CA of residue 2653
Atom CD of residue 528
Atom CA of residue 13
Atom CA of residue 85
Atom CD of residue 46
GLN
PRO
Atom O of residue 125
LYS
SER
Atom CA of residue 528
Atom CA of residue 23
GLU
Atom CA of residue 578
Atom CA of residue 126
TRP
ILE
Atom C of residue 43
SER
PHE
ASP
Atom N of residue 558
Atom CA of residue 538
LEU
Atom CA of residue 85
Atom O of residue 28
Atom CA of residue 115
Atom CB of residue 57
CYS
ASP
Atom NH2 of residue 17
Atom O of residue 87
Model 27
Atom O of residue 479
GLU
ARG
PRO
ALA
ALA
Atom NE of residue 114
Atom OD2 of residue 100
Atom CA of residue 482
Atom CE of residue 528
GLU
Atom N of residue 47
Atom CA of residue 256
PRO
Atom CA of residue 349
Atom CA of residue 60
ILE
Atom CZ of residue 448
Atom CD of residue 43
GLY
Atom C of residue 508
Atom CA of residue 525
Atom CA of residue 207
Atom CG of residue 26
Atom CA of residue 109
Atom O of residue 43
Atom N of residue 103
Atom CA of residue 72
Atom N of residue 58
Atom CA of residue 129
Atom CA of residue 97
GLU
Atom CA of residue 435
SER
Atom CA of residue 467
GLY
Atom CA of residue 247
P0
PRO
Atom CA of residue 331
Atom CA of residue 127
ILE
ALA
Atom CA of residue 71
Atom CA of residue 329
TRP
VAL
Atom CD of residue 552
Atom CA of residue 393
Atom CA of residue 332
LYS
Atom CA of residue 33
SER
Atom CA of residue 2651
Atom CA of residue 156
Atom OE1 of residue 43
Atom CA of residue 6
Atom CA of residue 575
Atom O of residue 508
Atom CA of residue 113
GLY
Atom OE2 of residue 98
THR
UpdateRigidBodyMembers6
Atom CA of residue 96
Atom CA of residue 434
ARG
Atom CA of residue 12
Atom CA of residue 60
Atom CA of residue 16
Atom CA of residue 45
Atom CD of residue 72
Atom CA of residue 455
Atom CB of residue 15
LEU
Atom CA of residue 572
Atom CA of residue 150
GLU
Atom CB of residue 465
Atom CG2 of residue 494
Atom C of residue 103
GLN
Atom CA of residue 555
Atom OD1 of residue 59
Atom C of residue 149
LYS
ARG
ARG
Atom N of residue 18
VAL
Atom N of residue 553
Atom CA of residue 48
HIS
GLN
Atom CD1 of residue 26
AccumulateRigidBodyDerivatives6
Atom CA of residue 458
ALA
Atom CD of residue 88
PRO
ALA
ASN
Atom CA of residue 116
Atom NZ of residue 524
Atom CB of residue 127
GLU
GLU
GLN
Atom CA of residue 445
Atom N of residue 73
PHE
Atom CG1 of residue 15
Atom CA of residue 4
Atom CG2 of residue 73
Atom CA of residue 48
Atom CG of residue 465
Atom CA of residue 106
Atom N of residue 495
Atom O of residue 103
VAL
LEU
LEU
Atom OD2 of residue 59
Atom CA of residue 104
Atom CA of residue 502
ALA
LYS
SER
Atom CA of residue 88
LEU
Atom CA of residue 154
ILE
Atom CA of residue 72
Atom CB of residue 125
Atom N of residue 89
Atom CA of residue 140
Atom CA of residue 73
Atom CB of residue 570
Atom N of residue 18
LEU
SER
Atom CA of residue 486
VAL
Atom CG of residue 127
Atom NH1 of residue 448
Atom CA of residue 468
Atom CA of residue 248
LEU
Atom CB of residue 28
Chain B
Atom CA of residue 37
ASP
Atom CB of residue 87
Atom CB of residue 479
Atom CA of residue 2654
Atom N of residue 74
Atom CA of residue 14
Atom CA of residue 129
THR
VAL
Atom CA of residue 333
LYS
Atom CD2 of residue 26
Atom CZ of residue 114
Atom N of residue 101
LEU
Atom CA of residue 157
PHE
Atom NZ of residue 528
Atom CA of residue 114
Atom CA of residue 529
Atom CA of residue 24
GLY
ILE
Atom CA of residue 75
Atom C of residue 129
Atom CA of residue 579
Atom CA of residue 127
SampledDensityMap37
Atom CG1 of residue 125
ILE
VAL
Atom CA of residue 539
Atom CA of residue 86
PHE
LYS
Atom CB of residue 43
Atom CA of residue 456
SER
Atom NH2 of residue 448
Atom CA of residue 12
SER
ALA
Atom N of residue 29
LEU
Atom OG1 of residue 87
Atom N of residue 99
Atom CA of residue 483
Atom CG1 of residue 479
LEU
SER
Atom CA of residue 257
CoarseCC9
Atom CA of residue 49
Atom CA of residue 350
Atom CA of residue 61
Atom CA of residue 115
LYS
ALA
PRO
Atom CA of residue 570
Atom OD1 of residue 136
THR
mol0
Atom CA of residue 526
Atom CA of residue 117
Atom CA of residue 208
Atom O of residue 129
Atom CA of residue 110
Atom C of residue 16
Atom C of residue 45
Atom NE2 of residue 43
LYS
Atom CB of residue 508
VAL
LYS
Atom CA of residue 98
Atom SG of residue 43
Atom CA of residue 436
GLU
LYS
ALA
Atom N of residue 525
LEU
created density map
Atom CA of residue 332
Atom N of residue 27
Atom CA of residue 128
ALA
GLU
PHE
Atom CA of residue 54
GLY
Atom CA of residue 72
Atom CA of residue 330
VAL
ILE
Atom CA of residue 394
LYS
Atom CA of residue 2652
Atom CA of residue 576
Atom CA of residue 103
Atom CA of residue 74
Chain B
GLY
LYS
Atom O of residue 16
Atom O of residue 45
VAL
LEU
Atom CA of residue 97
Atom CA of residue 435
Atom CA of residue 469
Atom CG of residue 508
Atom CA of residue 249
Atom CA of residue 558
P2
PRO
Atom CA of residue 573
Atom CA of residue 151
THR
SER
Atom CA of residue 65
Atom CA of residue 334
LYS
ARG
Atom CA of residue 556
PRO
Atom C of residue 72
Chain C
Atom C of residue 140
Atom CA of residue 115
VAL
LEU
ILE
THR
ASP
Atom CA of residue 47
GLN
Atom CB of residue 103
SER
ASP
Atom N of residue 60
Atom CA of residue 2630
Atom CA of residue 459
Atom CG2 of residue 15
LEU
VAL
Atom OD1 of residue 465
Atom CA of residue 58
Atom NH1 of residue 114
Atom CA of residue 457
SER
Atom N of residue 529
Atom C of residue 129
Atom CG of residue 21
ARG
Atom CA of residue 446
GLU
Atom CA of residue 49
Atom CA of residue 107
Atom CA of residue 23
Atom C of residue 75
Atom CA of residue 52
SER
ARG
Atom CA of residue 105
Atom O of residue 72
Atom CA of residue 503
Atom OD1 of residue 127
ALA
Atom O of residue 140
ALA
GLU
Atom CA of residue 118
Atom CA of residue 89
Atom CG of residue 103
LEU
Atom CA of residue 155
LYS
ARG
Atom CD1 of residue 15
VAL
GLU
Atom OD2 of residue 465
GLU
THR
Atom CA of residue 487
Atom NH2 of residue 114
Atom N of residue 449
VAL
Atom O of residue 129
Atom CA of residue 18
ARG
Atom CA of residue 27
PRO
Atom CG2 of residue 125
Atom CA of residue 2655
Atom N of residue 44
Atom CA of residue 15
ARG
Atom O of residue 75
CYS
Atom CG of residue 21
Atom OD2 of residue 127
LYS
ALA
ALA
Atom CA of residue 530
Atom CA of residue 75
Atom CA of residue 25
ARG
Atom CA of residue 20
Atom CA of residue 553
Atom CA of residue 580
Atom CA of residue 128
Atom CG2 of residue 87
ILE
LEU
Atom CG2 of residue 479
SER
SER
Atom CA of residue 470
Atom CA of residue 250
Atom CA of residue 540
Atom CA of residue 87
Atom N of residue 130
Model 33
LEU
CYS
GLN
GLU
Atom CA of residue 335
PRO
ALA
Atom CA of residue 73
Atom CA of residue 101
Atom CD1 of residue 125
Atom CA of residue 484
THR
Atom C of residue 103
Atom CA of residue 495
GLU
Atom CA of residue 258
Atom CA of residue 351
Atom CA of residue 18
Atom CA of residue 62
Atom N of residue 44
LEU
GLN
Atom C of residue 558
Atom CA of residue 527
Atom CA of residue 13
Atom CA of residue 209
Atom CA of residue 111
Atom N of residue 88
Chain B
Atom CA of residue 458
Atom N of residue 480
Atom CA of residue 89
ASN
Atom C of residue 27
Atom CB of residue 16
Atom CB of residue 45
LEU
Atom CA of residue 99
Atom CA of residue 437
Atom CA of residue 99
Atom CA of residue 14
LYS
ILE
Atom C of residue 47
Atom CA of residue 53
Atom CA of residue 333
Atom CA of residue 129
GLY
ASN
Atom CA of residue 74
Atom O of residue 103
Atom OD1 of residue 508
Atom CA of residue 55
Atom CA of residue 73
VAL
Atom CA of residue 331
Atom CA of residue 119
GLU
GLU
Atom C of residue 58
Atom CA of residue 395
PHE
ALA
Atom CA of residue 2653
Atom CA of residue 577
VAL
VAL
Atom O of residue 558
ARG
Atom CA of residue 98
Atom CA of residue 436
Atom CA of residue 29
Atom CA of residue 525
Atom CA of residue 9
ASN
Atom CG of residue 16
Atom CG1 of residue 45
PRO
Atom CA of residue 574
Atom CA of residue 152
LEU
Atom O of residue 47
Atom CA of residue 66
MET
Atom CA of residue 557
Atom C of residue 61
Atom CA of residue 433
Atom ND2 of residue 508
LYS
VAL
GLN
GLN
PRO
MET
Atom O of residue 58
LEU
PRO
Atom CB of residue 72
ALA
Atom CA of residue 2631
Atom CA of residue 460
Atom CA of residue 8
Atom CA of residue 471
Atom CA of residue 257
Atom CB of residue 140
MET
TYR
Atom C of residue 18
Atom O of residue 27
Atom N of residue 115
Atom N of residue 16
Atom N of residue 466
GLU
Atom CD of residue 103
Atom CA of residue 336
TRP
Atom CA of residue 447
GLY
THR
Atom N of residue 130
Atom CA of residue 108
LEU
Atom C of residue 553
GLU
MET
Atom CA of residue 60
Atom CA of residue 106
Atom CA of residue 504
Fit restraint scratch map
Atom CA of residue 17
ASP
Atom CB of residue 75
Atom CA of residue 90
ARG
Atom CA of residue 156
GLN
Atom CG of residue 72
Atom CA of residue 459
Atom N of residue 128
Atom N of residue 577
Atom CA of residue 529
Atom CG of residue 140
Atom CA of residue 70
Atom O of residue 18
GLU
Atom C of residue 73
python stream rigid body
Atom CA of residue 488
ARG
Atom C of residue 101
TYR
PRO
Atom C of residue 495
Atom NE of residue 103
Atom CA of residue 54
Atom C of residue 18
PHE
Atom CA of residue 2656
Atom CA of residue 16
ASN
GLN
Atom CA of residue 120
Atom O of residue 553
HIS
Atom N of residue 126
LEU
ARG
Atom C of residue 89
SER
GLU
Atom CA of residue 531
Atom CA of residue 26
Atom SG of residue 75
Atom CA of residue 130
Atom CA of residue 581
DensityMap890
Atom CA of residue 129
Atom CB of residue 27
Atom C of residue 99
PRO
GLU
THR
ARG
Atom CA of residue 541
Atom CA of residue 88
ASP
GLU
Atom O of residue 73
ASP
Atom CA of residue 20
Atom O of residue 101
PHE
Atom CA of residue 44
SER
Atom C of residue 74
ALA
Atom O of residue 495
ALA
Atom O of residue 18
PRO
Atom CA of residue 485
ASP
Atom CA of residue 259
Atom CA of residue 352
Atom CA of residue 63
GLN
GLN
GLN
Atom CA of residue 449
Atom O of residue 89
Atom CA of residue 472
Atom CB of residue 103
Atom CA of residue 258
THR
Atom CA of residue 528
Atom C of residue 29
Atom C of residue 525
Atom CA of residue 210
Atom CA of residue 112
Atom CA of residue 44
Atom O of residue 99
Atom CB of residue 558
Atom CA of residue 337
GLU
Model 46
LEU
Atom CA of residue 100
Atom O of residue 74
THR
LEU
Atom CA of residue 334
PRO
GLU
Atom CA of residue 438
SER
Atom CA of residue 56
Atom CA of residue 74
Atom CA of residue 332
Atom N of residue 48
GLU
VAL
VAL
Atom CA of residue 396
ALA
Atom CG of residue 27
Atom CD1 of residue 16
Atom CG2 of residue 45
Atom CA of residue 460
Atom CA of residue 2654
Atom CA of residue 9
Atom CA of residue 578
Atom CG of residue 103
Atom N of residue 509
Atom CA of residue 71
GLU
Atom O of residue 29
Atom O of residue 525
Atom CB of residue 58
MET
Atom CA of residue 2629
Atom CA of residue 99
Atom CA of residue 437
Atom CA of residue 52
Atom CG of residue 558
Atom CA of residue 4
Atom CA of residue 55
Atom C of residue 60
THR
Atom CA of residue 575
Atom CA of residue 153
ALA
Atom CA of residue 121
Atom CA of residue 67
ARG
Atom CA of residue 558
Atom CA of residue 2
Atom CA of residue 434
Atom C of residue 529
ALA
THR
ALA
LEU
ARG
LEU
LYS
Atom CA of residue 8
LEU
Atom CD2 of residue 16
Atom CD1 of residue 45
Atom CA of residue 461
SER
ALA
PRO
Atom C of residue 573
Atom OG of residue 58
HIS
Atom CA of residue 88
Atom CA of residue 480
Atom CA of residue 130
Atom CB of residue 18
Atom O of residue 60
Atom CA of residue 448
Atom CD of residue 72
rigid bodies list
LYS
Atom OD1 of residue 140
Atom CA of residue 109
Atom CZ of residue 103
Atom C of residue 130
GLU
Atom CD of residue 27
LEU
Atom CA of residue 107
GLN
Atom CA of residue 505
Atom CA of residue 147
Atom CA of residue 5
Atom O of residue 529
Atom CA of residue 473
Atom CA of residue 275
LYS
Atom CA of residue 91
Atom CB of residue 553
ASP
Atom CA of residue 157
ILE
Atom CA of residue 16
Atom C of residue 44
Atom CA of residue 466
Atom CA of residue 338
GLY
ASP
Atom CA of residue 489
Atom N of residue 19
Atom CA of residue 36
ASN
Atom N of residue 76
Atom CA of residue 6
Atom CB of residue 73
LEU
Atom N of residue 73
Atom CB of residue 101
Atom O of residue 147
Atom C of residue 449
Atom CA of residue 2657
Atom CA of residue 17
GLY
Atom ND2 of residue 140
Atom CB of residue 495
THR
Atom O of residue 130
Atom CB of residue 18
Atom C of residue 44
Atom CA of residue 461
Atom CA of residue 128
PRO
HIS
GLU
Atom CA of residue 532
Atom CA of residue 27
Atom N of residue 554
Atom CA of residue 582
GLU
Atom O of residue 44
LEU
Atom CB of residue 89
PRO
Atom CA of residue 542
Atom CA of residue 89
Atom CA of residue 56
Atom CB of residue 99
PHE
PHE
LYS
Atom CA of residue 122
LYS
ILE
Atom NE of residue 27
LEU
Atom CG of residue 73
Atom CG of residue 101
Atom CA of residue 126
Atom CA of residue 486
Atom O of residue 449
VAL
Atom CB of residue 74
PHE
DensityMap19
ARG
Atom CG of residue 495
Atom CA of residue 260
Atom CA of residue 353
Atom N of residue 19
UpdateRigidBodyMembers1
ALA
Atom CA of residue 64
Atom O of residue 44
THR
Atom CA of residue 529
SER
Atom CA of residue 211
Atom CA of residue 113
Atom OG of residue 89
ILE
Atom CB of residue 29
Atom CB of residue 525
ARG
Atom CA of residue 101
Atom CG of residue 99
Chain D
Atom CD of residue 103
ILE
ConjugateGradients
Atom CA of residue 48
GLU
Atom CA of residue 335
AccumulateRigidBodyDerivatives1
LEU
Atom CA of residue 439
THR
SER
Atom N of residue 75
Atom CA of residue 474
ILE
Atom CD1 of residue 558
Atom CA of residue 57
Atom CA of residue 75
Atom CA of residue 333
Atom CA of residue 21
ARG
TYR
Atom CA of residue 397
PRO
Atom C of residue 88
Atom CA of residue 2655
Atom C of residue 480
ALA
Atom CA of residue 579
Atom C of residue 130
Atom CA of residue 187
Atom NH1 of residue 103
Atom CA of residue 339
GLY
Atom NE1 of residue 16
Atom N of residue 46
ALA
Atom CA of residue 100
Atom CA of residue 53
GLU
Atom CG of residue 29
Atom OG of residue 525
python stream rigid body
Atom CZ of residue 27
GLU
PHE
Atom CA of residue 438
Atom CA of residue 576
Atom CA of residue 154
Atom NE of residue 103
Atom OE1 of residue 117
LEU
Atom CA of residue 28
Atom CA of residue 22
Atom N of residue 59
Atom CA of residue 68
GLN
Atom CA of residue 559
Atom CB of residue 60
Atom CA of residue 462
Atom C of residue 16
Atom CA of residue 435
Atom CA of residue 260
Atom CD2 of residue 558
ILE
HIS
Atom CA of residue 52
Atom C of residue 466
MET
SER
GLN
Atom O of residue 88
Atom CD of residue 118
Atom CA of residue 462
Atom O of residue 480
Atom CB of residue 529
Atom O of residue 130
LEU
SER
PRO
Atom NH2 of residue 103
Atom CA of residue 57
Atom O of residue 21
PRO
Atom CA of residue 123
Atom CA of residue 452
Atom CA of residue 21
Atom C of residue 128
PRO
LEU
Atom CA of residue 110
ASP
LEU
Atom CG of residue 60
Atom CA of residue 108
PRO
Atom CA of residue 506
Atom CA of residue 584
Atom O of residue 16
Atom N of residue 141
Atom O of residue 466
ASP
Atom CA of residue 38
VAL
Atom CA of residue 92
THR
ARG
Atom CB of residue 130
LEU
Atom CG1 of residue 529
Atom CA of residue 78
ALA
Atom C of residue 32
LYS
Atom CA of residue 490
input1.pdb
Atom C of residue 126
Atom CB of residue 44
ALA
ALA
ASP
Atom O of residue 128
Atom CA of residue 2658
Atom CA of residue 475
ILE
Atom CA of residue 34
VAL
LYS
Model 37
PRO
Atom CB of residue 449
SER
ARG
Atom CA of residue 533
Atom CA of residue 340
Atom CG of residue 130
LEU
Atom CA of residue 583
Atom CB of residue 44
Atom CD of residue 73
Atom CD of residue 101
ASP
TRP
Atom CA of residue 543
Atom CA of residue 90
Atom OD1 of residue 495
Atom C of residue 48
PRO
Atom C of residue 78
ASP
Atom CA of residue 473
Atom NH1 of residue 27
Atom O of residue 126
Atom OG1 of residue 44
LEU
ALA
LYS
GLU
LEU
Atom CE2 of residue 16
Atom CA of residue 463
Atom CA of residue 487
SER
Atom N of residue 90
Atom CA of residue 261
THR
GLY
GLY
Atom CA of residue 261
Atom CA of residue 360
Atom CD of residue 99
ASP
Atom CG of residue 449
Atom CA of residue 530
Atom CA of residue 212
Atom CA of residue 58
Atom CA of residue 114
Atom N of residue 45
Atom N of residue 74
Atom CE of residue 101
LEU
GLY
VAL
Atom CA of residue 19
Atom OD2 of residue 495
Atom O of residue 48
Atom CA of residue 124
Atom CA of residue 102
LYS
Atom CA of residue 336
ARG
LEU
Atom CA of residue 440
Atom CA of residue 73
SER
GLY
Atom CZ of residue 103
Atom NE2 of residue 117
Atom CA of residue 58
Atom CA of residue 76
Atom CA of residue 334
Atom CA of residue 39
Atom CD of residue 29
LEU
Atom N of residue 526
ARG
GLN
Atom CA of residue 554
Atom CA of residue 398
GLN
Atom OE1 of residue 99
Atom CA of residue 2656
Atom CA of residue 580
Atom CA of residue 141
Atom N of residue 559
TYR
Atom CA of residue 188
Atom O of residue 78
Atom N of residue 104
Atom NH2 of residue 27
Atom CB of residue 88
VAL
Atom CA of residue 101
Atom CB of residue 480
Atom CA of residue 35
Atom CA of residue 54
Atom CB of residue 130
LEU
THR
PHE
Atom CA of residue 439
Atom CA of residue 577
Atom CA of residue 155
VAL
Atom CA of residue 69
LEU
Atom CA of residue 19
Atom CA of residue 560
python stream rigid body rigid body positions
Atom CA of residue 436
Atom CG of residue 136
Atom CZ of residue 147
ALA
TYR
Atom CA of residue 53
ARG
Atom NE of residue 29
GLU
Atom CA of residue 14
Atom CA of residue 59
Atom CA of residue 341
PHE
THR
Atom CA of residue 46
Atom CA of residue 585
Atom CA of residue 463
Atom CB of residue 16
LEU
ASN
GLY
Atom CB of residue 466
GLU
ASN
TRP
Atom CD of residue 60
Atom CG of residue 88
Atom CG of residue 480
Atom CG of residue 130
Atom CA of residue 464
ALA
Atom CA of residue 75
Atom CG2 of residue 529
Atom CA of residue 262
LYS
Atom CG of residue 146
Atom CA of residue 111
PRO
PRO
SER
ASN
Atom CA of residue 109
Atom CA of residue 507
Atom CB of residue 128
Atom CA of residue 10
ARG
Atom CA of residue 29
LYS
THR
Atom CA of residue 93
GLU
Atom CA of residue 59
Atom N of residue 28
LEU
Atom CG of residue 16
ALA
Atom CG of residue 466
Atom CA of residue 125
Atom NE of residue 60
ASP
Atom CA of residue 491
Atom OD1 of residue 130
Atom CA of residue 450
PHE
Atom CB of residue 126
Atom CA of residue 2659
Atom N of residue 530
PRO
Atom CA of residue 141
Atom CA of residue 40
LYS
ARG
Atom CA of residue 454
Atom CG of residue 128
THR
Atom CG2 of residue 44
LYS
LEU
Atom CA of residue 142
Atom CA of residue 534
Atom C of residue 19
Atom CA of residue 5
Atom CA of residue 584
SampledDensityMap18
LYS
LYS
Atom NH1 of residue 103
GLU
Atom N of residue 118
Atom CA of residue 544
Atom CA of residue 91
LYS
Atom C of residue 73
Atom CA of residue 3
Atom NZ of residue 101
SER
Atom CD1 of residue 449
ALA
ARG
PHE
HIS
Atom N of residue 496
Atom CB of residue 48
LYS
Atom C of residue 554
Atom ND2 of residue 130
LEU
ILE
Atom CG of residue 126
Atom CA of residue 488
THR
Atom CA of residue 19
SER
Atom CA of residue 262
Atom CA of residue 342
LYS
Atom CA of residue 361
ALA
Atom CE3 of residue 16
TYR
THR
Atom N of residue 45
Atom CA of residue 90
Atom O of residue 19
Atom CA of residue 531
ILE
Atom N of residue 155
Atom CA of residue 213
Atom CA of residue 115
Atom CA of residue 473
Atom OE2 of residue 99
Atom NH2 of residue 103
GLU
Atom C of residue 19
Atom CA of residue 103
Atom O of residue 73
Atom C of residue 148
Atom CA of residue 465
Atom CD2 of residue 449
Atom C of residue 500
Atom CA of residue 263
GLN
ALA
Atom CG of residue 48
THR
Atom CA of residue 16
Atom C of residue 59
Atom O of residue 554
Atom CA of residue 337
SER
Atom C of residue 46
ARG
Atom CA of residue 449
PHE
VAL
Atom CG of residue 567
Atom CA of residue 59
Atom CA of residue 77
Atom CA of residue 335
LYS
GLU
Atom CA of residue 399
Atom CA of residue 118
Atom CA of residue 60
Atom CA of residue 28
Atom CA of residue 2657
Atom CA of residue 581
ARG
Atom CA of residue 189
Atom CA of residue 126
Atom CZ of residue 29
Atom CA of residue 526
Atom O of residue 148
GLN
Atom CA of residue 102
ALA
Atom C of residue 75
Atom CA of residue 55
Atom CA of residue 43
Atom O of residue 19
GLY
CYS
Atom CA of residue 440
Atom O of residue 500
Atom CA of residue 578
Atom CA of residue 156
Atom O of residue 59
Atom CA of residue 70
ASP
LEU
PHE
Atom CA of residue 455
Atom CA of residue 561
Atom O of residue 46
Atom OD1 of residue 88
Atom CA of residue 441
Atom CD1 of residue 480
Atom CA of residue 437
Atom CA of residue 143
Atom CA of residue 559
Atom OD1 of residue 130
ASN
SER
GLN
PHE
LEU
Atom CA of residue 45
Atom CA of residue 586
Atom CA of residue 464
HIS
THR
THR
Atom CA of residue 41
Atom C of residue 32
Atom CA of residue 10
Atom CZ2 of residue 16
Atom CA of residue 74
ASP
Atom O of residue 75
GLU
Atom C of residue 141
Atom CZ of residue 60
ASP
Atom CD1 of residue 16
ASP
PHE
Atom CD of residue 466
Atom CA of residue 112
Atom CA of residue 104
Atom CA of residue 343
LEU
LYS
Atom C of residue 28
Atom CA of residue 110
Atom OD2 of residue 88
PRO
Atom N of residue 102
Atom CA of residue 508
Atom CD2 of residue 480
LYS
Atom ND2 of residue 130
ALA
GLN
Atom CA of residue 155
Atom CA of residue 94
VAL
GLY
Atom CA of residue 30
TRP
Atom CA of residue 492
Atom CA of residue 466
Atom CD of residue 128
Atom CA of residue 264
Atom O of residue 141
Atom CA of residue 2632
VAL
Atom CA of residue 61
Atom CA of residue 451
SER
Atom N of residue 100
Atom CD2 of residue 16
Atom CA of residue 2660
Atom CA of residue 20
Atom C of residue 90
GLU
Atom CG of residue 149
MET
Atom N of residue 467
ASP
Atom N of residue 131
Atom CA of residue 61
ASP
PHE
LEU
Atom CA of residue 535
Atom CA of residue 127
Atom CA of residue 7
Atom CA of residue 585
Atom CD of residue 126
ASP
VAL
Atom N of residue 104
GLY
Atom CA of residue 545
GLN
Atom CA of residue 92
Atom CB of residue 19
Atom N of residue 129
PHE
HIS
ALA
Atom NH1 of residue 29
PRO
1tdx.pdb
ALA
Atom CA of residue 456
Atom O of residue 28
ALA
Atom CA of residue 454
Atom CB of residue 73
ASP
Atom CA of residue 489
Atom N of residue 450
Atom O of residue 90
Atom CA of residue 144
Atom CA of residue 20
Atom CA of residue 263
Atom C of residue 526
Atom C of residue 155
Atom CB of residue 554
PRO
Atom CA of residue 362
LYS
SER
PHE
Atom CA of residue 118
Atom C of residue 496
Atom CD of residue 48
VAL
Atom CA of residue 532
Atom CA of residue 214
Atom CA of residue 116
Atom CZ3 of residue 16
PRO
Atom OE1 of residue 126
TRP
ILE
Atom CG of residue 19
CoarseCC8
Atom CA of residue 104
Atom CB of residue 500
Atom C of residue 559
ILE
Atom NH2 of residue 29
TYR
Chain
Atom CA of residue 344
ARG
Atom CA of residue 338
Atom CB of residue 19
Atom C of residue 45
LYS
Atom CG of residue 73
ASN
GLY
Atom CA of residue 530
Atom CA of residue 60
Atom CA of residue 78
Atom CA of residue 336
ASP
TRP
Atom O of residue 526
GLN
Atom CB of residue 59
Atom N of residue 555
Atom CA of residue 400
Atom CB of residue 46
Atom NH1 of residue 60
Atom C of residue 74
Chain A
Atom CA of residue 2658
HIS
Atom CA of residue 582
Atom CA of residue 190
Atom O of residue 496
Atom CE of residue 48
Atom CA of residue 442
ASP
Atom CA of residue 467
Atom CA of residue 103
Atom CA of residue 56
Atom CA of residue 265
Atom CA of residue 44
Atom CA of residue 18
Atom C of residue 104
VAL
LEU
Atom CB of residue 28
SER
TYR
Atom CA of residue 449
Atom CG of residue 500
Atom CA of residue 579
Atom CB of residue 75
Atom CA of residue 157
TYR
Atom O of residue 559
Atom O of residue 155
Atom CA of residue 71
Atom CA of residue 62
VAL
Atom CG of residue 19
Atom CA of residue 562
Atom O of residue 45
LEU
GLY
LEU
Atom CA of residue 128
Atom CG of residue 59
TYR
Atom CG of residue 46
Atom NH2 of residue 60
Atom O of residue 74
Atom N of residue 89
Atom CA of residue 587
Atom CA of residue 497
Atom CE1 of residue 480
Atom CA of residue 438
Atom CA of residue 45
Atom N of residue 131
MET
VAL
ALA
Atom CA of residue 42
THR
Atom O of residue 104
TYR
Atom CA of residue 457
Atom CA of residue 455
MET
Atom CA of residue 441
Atom CA of residue 13
Atom CG1 of residue 75
Atom CA of residue 145
GLU
Atom CB of residue 141
Atom CA of residue 113
PRO
Atom CH2 of residue 16
Atom CA of residue 111
Atom CA of residue 509
Atom CE1 of residue 16
GLU
ILE
Atom CA of residue 95
GLY
ILE
ILE
Atom NE of residue 149
GLU
LEU
PRO
PRO
Atom N of residue 29
ARG
Atom CA of residue 493
Atom CB of residue 155
Atom CA of residue 11
Atom CA of residue 2633
Atom CA of residue 345
MET
Atom CA of residue 102
ALA
Atom CA of residue 2661
PRO
Atom C of residue 118
ASN
Atom CG of residue 141
PRO
TYR
PHE
GLN
Atom N of residue 91
Atom CA of residue 536
Atom CA of residue 586
SER
Atom CA of residue 468
TRP
GLY
Atom CA of residue 546
THR
Atom CA of residue 93
LEU
LEU
ILE
VAL
Atom CA of residue 100
Atom NE2 of residue 126
Atom SG of residue 573
SER
PRO
Atom C of residue 530
GLU
Atom CA of residue 266
Atom N of residue 30
THR
Atom CA of residue 131
Atom CA of residue 63
PHE
SER
Atom CA of residue 490
Atom O of residue 118
Atom CA of residue 21
Atom OD1 of residue 19
Atom CA of residue 129
Atom CA of residue 264
Atom CA of residue 363
VAL
LEU
THR
Atom CB of residue 496
Atom CA of residue 533
Atom CB of residue 526
Atom CA of residue 215
ARG
Atom CA of residue 117
Atom CD of residue 73
Atom NZ of residue 48
Atom CG of residue 155
LEU
ARG
Atom CA of residue 458
Atom N of residue 17
Atom CA of residue 105
Atom CA of residue 456
Atom C of residue 147
Atom CA of residue 450
Atom CE2 of residue 480
Atom O of residue 530
Atom CA of residue 146
TYR
LEU
VAL
ILE
Atom CA of residue 339
ALA
SER
Atom C of residue 45
Atom CA of residue 104
Atom CB of residue 559
Atom CA of residue 61
Atom CA of residue 79
Atom CA of residue 467
Atom CA of residue 337
Atom OD2 of residue 19
TRP
THR
Atom CA of residue 401
Atom N of residue 61
Atom CB of residue 45
LYS
Atom CA of residue 2659
Atom CD of residue 500
Atom CA of residue 583
ILE
Atom CA of residue 191
Atom N of residue 497
Atom CG of residue 526
Atom OD1 of residue 19
Atom CA of residue 29
Atom CB of residue 74
Atom CA of residue 443
Atom N of residue 74
ALA
Atom CE2 of residue 16
Atom CA of residue 104
Atom CA of residue 57
Atom CA of residue 19
Atom CB of residue 77
Atom OD1 of residue 59
LEU
Atom CA of residue 346
LEU
Atom CD of residue 46
Atom CA of residue 129
Atom CZ of residue 480
LYS
Atom CA of residue 580
LYS
Atom CA of residue 72
Atom CB of residue 104
ASN
Atom CA of residue 563
Atom O of residue 116
Atom O of residue 45
Atom CG of residue 559
Atom C of residue 134
TYR
HIS
PHE
GLU
LYS
SER
Atom CG1 of residue 45
Atom CA of residue 469
Atom CA of residue 439
Atom CA of residue 442
Atom CA of residue 15
Atom CE of residue 500
Atom CG2 of residue 75
VAL
CYS
GLN
Atom CD1 of residue 155
Atom OD2 of residue 19
ALA
Atom CG of residue 74
LEU
Atom C of residue 102
Atom CZ of residue 16
Atom OD2 of residue 59
Atom CA of residue 64
Atom N of residue 47
LEU
ASN
Atom CA of residue 114
Atom CA of residue 24
Atom CA of residue 555
Atom CG of residue 104
ILE
Atom CA of residue 112
Atom CA of residue 89
Atom N of residue 127
Atom CA of residue 510
Atom CA of residue 131
GLU
ALA
Atom CA of residue 96
ILE
Atom C of residue 29
GLN
ARG
Atom C of residue 100
Atom N of residue 76
Atom CD of residue 141
Atom CA of residue 31
ASP
Atom C of residue 131
Atom CA of residue 459
PRO
Atom CA of residue 457
Atom CA of residue 494
Atom O of residue 102
Atom CA of residue 2634
Atom CA of residue 91
SER
Atom N of residue 49
GLU
VAL
ASP
CYS
THR
Atom CB of residue 118
Atom CA of residue 537
Atom CD2 of residue 155
Atom CA of residue 587
PRO
Atom O of residue 100
Atom CA of residue 466
Atom C of residue 450
ARG
LEU
Atom NE of residue 141
Atom CA of residue 547
Atom CA of residue 94
GLU
Atom CA of residue 12
Atom CA of residue 347
Atom O of residue 131
PHE
LEU
Atom C of residue 104
Atom CA of residue 267
Atom C of residue 467
TYR
VAL
Atom CA of residue 491
Atom CB of residue 530
Atom CA of residue 22
LYS
Atom CA of residue 265
Atom CA of residue 364
Atom O of residue 29
Atom CA of residue 470
ALA
SER
Atom CA of residue 147
Atom CG of residue 118
Atom N of residue 20
Atom CA of residue 534
Atom CA of residue 216
GLN
Atom CA of residue 118
Atom CD of residue 21
ILE
Atom C of residue 129
Atom O of residue 450
ALA
GLN
Atom CA of residue 65
Atom CA of residue 106
LYS
Atom N of residue 481
Atom O of residue 104
GLN
Atom O of residue 467
LEU
LEU
THR
Atom CD of residue 526
Atom CA of residue 340
Atom C of residue 63
GLU
ASN
Atom CG of residue 530
Atom CA of residue 62
Atom CA of residue 80
Atom CA of residue 338
GLN
Atom CE1 of residue 155
GLY
Atom CA of residue 402
1z5s_C.pdb
VAL
Atom CA of residue 2660
Atom CB of residue 45
Atom CA of residue 584
ALA
HIS
Atom CA of residue 192
Atom CA of residue 30
Atom CA of residue 460
Atom CA of residue 458
Atom CA of residue 444
VAL
Atom O of residue 129
Atom OH of residue 16
Atom CA of residue 105
Atom NZ of residue 500
Atom CA of residue 58
Atom CD1 of residue 559
Fit restraint scratch map
Atom CA of residue 37
Atom C of residue 555
Atom N of residue 20
Atom CG2 of residue 45
Atom C of residue 89
LYS
Atom CA of residue 581
Atom C of residue 131
Atom OE1 of residue 526
Atom N of residue 60
Atom CA of residue 73
THR
ILE
THR
Atom CB of residue 29
Atom CA of residue 564
GLY
Atom CD of residue 74
VAL
GLY
GLU
VAL
VAL
Chain C
Atom CA of residue 17
LEU
PRO
Atom CA of residue 440
NullModifier2
Atom CG1 of residue 45
Atom CA of residue 443
Atom CA of residue 34
GLN
LEU
GLY
Atom CD1 of residue 104
LYS
Atom CA of residue 87
Atom N of residue 17
MET
Atom C of residue 91
Atom CD2 of residue 559
Atom O of residue 555
HIS
Atom O of residue 63
Atom CD1 of residue 45
Atom O of residue 89
Atom CB of residue 102
GLU
ALA
Atom O of residue 131
Atom CA of residue 115
Atom CA of residue 25
Atom CB of residue 574
LEU
ARG
ASP
Atom CA of residue 113
Atom CE of residue 74
Atom CA of residue 471
Atom CA of residue 511
ARG
Atom CA of residue 497
ASN
Atom CA of residue 97
PRO
GLN
GLU
ALA
Atom CA of residue 32
Atom CE1 of residue 77
Atom CD2 of residue 104
LeavesRefiner0
Atom CA of residue 67
ALA
Atom CA of residue 74
Atom CB of residue 100
Atom CA of residue 495
Atom CA of residue 19
Atom O of residue 91
Atom CZ of residue 141
LEU
Atom CB of residue 131
Atom CG of residue 29
Atom CG of residue 102
Atom CA of residue 127
LEU
Atom CE2 of residue 155
GLU
Atom CA of residue 2635
TYR
LEU
Atom CA of residue 538
GLY
Atom CA of residue 2629
Atom CA of residue 461
AccumulateRigidBodyDerivatives9
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom CA of residue 459
GLU
Atom CA of residue 467
PRO
PHE
Atom CA of residue 548
Atom CA of residue 95
ALA
Atom CG of residue 100
Atom N of residue 451
ASP
LEU
Atom CD of residue 118
Atom CA of residue 268
Atom CB of residue 146
Atom CA of residue 72
Atom CA of residue 49
ALA
Atom CG of residue 131
THR
Atom CA of residue 47
SER
Atom CA of residue 492
Atom N of residue 501
Atom CB of residue 104
Atom CA of residue 23
Atom CB of residue 467
Atom C of residue 21
Atom C of residue 30
Atom CA of residue 266
Atom CA of residue 365
python stream rigid body
PHE
PRO
Atom CA of residue 148
Atom CA of residue 535
Atom CA of residue 217
ASP
Atom CA of residue 119
TYR
Atom CA of residue 76
Atom CD of residue 530
Atom CA of residue 432
Atom CD of residue 29
Atom CA of residue 107
Atom CB of residue 129
PRO
Atom CA of residue 67
Atom OE1 of residue 118
VAL
GLY
PRO
ALA
Atom CZ of residue 155
Atom CA of residue 23
Atom CA of residue 341
Atom C of residue 17
GLU
Atom CA of residue 472
THR
Atom CA of residue 2663
ALA
Atom CG of residue 104
Atom CA of residue 63
Atom CA of residue 81
Atom CG of residue 467
Atom CA of residue 339
Atom CA of residue 20
Atom O of residue 30
GLU
Atom OE2 of residue 526
GLY
Atom CA of residue 403
THR
GLN
Atom CA of residue 2661
Atom CB of residue 576
Atom CA of residue 585
GLU
Atom CA of residue 193
Atom CA of residue 68
Atom C of residue 21
Atom CA of residue 445
ASP
Atom CA of residue 106
Atom CE of residue 530
Atom CA of residue 59
ALA
Atom C of residue 61
Atom N of residue 130
GLU
Atom CG2 of residue 45
Atom CA of residue 582
Atom N of residue 560
Atom C of residue 497
Atom CA of residue 74
Atom CB of residue 555
VAL
LEU
Atom CA of residue 565
Atom O of residue 17
Atom N of residue 46
Atom CB of residue 89
Atom CB of residue 131
Atom NH1 of residue 141
PRO
ALA
ASN
Atom O of residue 570
Atom CA of residue 20
Chain D
Atom CA of residue 462
PHE
Atom NZ of residue 74
Atom CA of residue 460
Atom C of residue 74
GLU
Atom CA of residue 481
Atom CA of residue 449
Atom CA of residue 444
GLN
SER
ILE
Atom CA of residue 20
Atom NE of residue 29
Atom CA of residue 18
Atom C of residue 127
Atom CA of residue 88
Atom CA of residue 73
Atom N of residue 156
Atom CA of residue 60
Atom NE1 of residue 104
ALA
LYS
Atom N of residue 46
Atom CB of residue 91
LEU
ALA
Atom CA of residue 116
Atom O of residue 497
Atom CA of residue 26
Atom CA of residue 299
Atom CG of residue 555
python stream rigid body
VAL
LYS
PRO
Atom CA of residue 114
Atom CG1 of residue 89
Atom CA of residue 512
VAL
Atom CG of residue 131
Atom NH2 of residue 141
P0
LEU
Atom CA of residue 13
PRO
TYR
LEU
Atom CA of residue 76
Atom O of residue 74
Atom OD1 of residue 102
Atom CA of residue 441
Atom CA of residue 33
Atom C of residue 49
Atom C of residue 47
Atom CA of residue 65
ILE
Atom CA of residue 496
Atom CA of residue 11
Atom O of residue 127
Atom CZ of residue 115
python stream rigid body
Atom CA of residue 473
ARG
THR
Atom OG1 of residue 91
ARG
Atom CA of residue 56
ILE
Atom CA of residue 2636
ASP
GLN
Atom OD1 of residue 100
LYS
Atom C of residue 76
TYR
Atom CA of residue 539
Atom CD of residue 131
Atom CA of residue 69
SER
Atom CZ of residue 29
LYS
Atom OD2 of residue 102
Atom CA of residue 468
Atom CA of residue 451
ALA
PRO
Atom CB of residue 575
LYS
Atom CA of residue 549
Atom CA of residue 96
THR
Atom O of residue 49
Atom N of residue 527
ALA
Atom CA of residue 9
Atom CA of residue 21
Atom O of residue 47
Fit restraint scratch map
Atom CA of residue 454
GLN
Atom CA of residue 269
Atom C of residue 20
THR
Atom CA of residue 7
Atom CA of residue 493
Atom CA of residue 36
Atom OE2 of residue 118
Atom CA of residue 24
Atom CA of residue 267
MET
Atom CA of residue 366
Atom CA of residue 463
python stream rigid body rigid body positions
Atom CA of residue 461
Atom OD2 of residue 100
GLU
Atom O of residue 76
Atom CA of residue 149
Atom CA of residue 536
Atom CB of residue 30
Atom CA of residue 218
Atom N of residue 132
Atom CA of residue 120
Atom CD1 of residue 104
Atom CD of residue 467
Atom CA of residue 74
ASP
Atom CA of residue 156
GLU
Atom CA of residue 108
Atom N of residue 75
PHE
Atom CA of residue 2
Atom CA of residue 501
Atom NZ of residue 530
ASN
Atom O of residue 20
ILE
LEU
ASP
Atom CA of residue 342
LEU
SER
PHE
Atom CA of residue 17
Atom C of residue 481
Atom CA of residue 2664
Atom CA of residue 64
Atom CA of residue 82
Atom CA of residue 340
MET
Atom CA of residue 17
Atom CA of residue 404
Atom CE2 of residue 104
PRO
Atom C of residue 20
Atom CA of residue 32
Atom CB of residue 17
GLN
Atom CA of residue 586
ARG
Atom CA of residue 194
Atom CG1 of residue 30
Atom C of residue 60
Atom CA of residue 446
ALA
Atom CA of residue 107
Atom CD2 of residue 104
Atom CA of residue 60
Atom CB of residue 567
Atom OE1 of residue 467
CYS
Atom CA of residue 474
Atom CA of residue 583
LEU
GLY
Atom CA of residue 75
TYR
Atom CA of residue 2630
GLN
THR
THR
Atom O of residue 481
ALA
Atom N of residue 142
LEU
THR
THR
Atom CB of residue 497
Atom CA of residue 300
Atom CE3 of residue 104
Atom CA of residue 70
Atom O of residue 20
Atom NH1 of residue 29
Atom CG of residue 17
LYS
Atom CA of residue 445
MET
ASP
ILE
ALA
PHE
Atom C of residue 156
Atom O of residue 60
Atom CD1 of residue 555
ASP
Atom CG2 of residue 89
Atom CB of residue 74
Atom CA of residue 560
Atom CD of residue 131
Atom CA of residue 46
ILE
Atom CB of residue 127
GLY
Atom CA of residue 442
ALA
Atom CA of residue 117
Atom CA of residue 27
GLN
Atom CA of residue 464
Atom CA of residue 115
Atom CA of residue 462
Atom CA of residue 513
Atom C of residue 451
ARG
VAL
Atom CG of residue 497
TYR
GLY
GLU
LEU
Atom CA of residue 37
Atom CG2 of residue 91
Atom N of residue 119
Atom CA of residue 34
Atom CA of residue 75
Atom CD2 of residue 555
THR
Atom CD1 of residue 89
Atom CG of residue 74
Atom CA of residue 497
Atom N of residue 103
LEU
Atom CA of residue 130
Atom N of residue 132
LEU
Atom CB of residue 49
TYR
Atom N of residue 48
LYS
Atom CG of residue 127
PRO
PHE
Atom O of residue 575
Atom CA of residue 57
GLY
VAL
Atom CA of residue 2637
SER
Atom NH2 of residue 29
Atom O of residue 451
LYS
Atom N of residue 531
Atom CA of residue 540
Atom N of residue 4
Atom O of residue 156
GLU
LEU
Atom N of residue 101
GLY
Atom CA of residue 469
ILE
Atom C of residue 501
Atom CB of residue 76
Atom N of residue 92
LEU
LEU
Atom CA of residue 550
Atom CA of residue 97
ILE
TRP
Atom CA of residue 475
Atom C of residue 17
THR
Atom CA of residue 270
Atom N of residue 50
Atom CA of residue 15
LYS
SER
LYS
ASP
Atom CA of residue 494
Atom CA of residue 46
Atom CA of residue 25
Atom CB of residue 20
Atom CA of residue 268
Atom CA of residue 8
Atom CA of residue 71
LEU
Atom CA of residue 367
python stream
LYS
ASN
ALA
Atom CA of residue 150
VAL
Atom CA of residue 537
Atom CA of residue 527
Atom CA of residue 219
Atom CA of residue 121
LYS
Atom CA of residue 6
Atom O of residue 501
Atom CG of residue 76
Atom CA of residue 523
Atom CA of residue 68
Atom CA of residue 109
Atom O of residue 17
SER
Atom NE1 of residue 104
LYS
Atom OE2 of residue 467
GLN
Atom CG2 of residue 30
Atom CA of residue 343
Atom CA of residue 465
Atom N of residue 30
LEU
Atom CA of residue 463
Atom CA of residue 2665
Atom CA of residue 65
Atom CA of residue 83
Atom CA of residue 341
Atom CG of residue 20
GLY
Atom CB of residue 156
Atom CA of residue 405
Atom CZ2 of residue 104
Atom CB of residue 481
Atom CA of residue 38
Atom CA of residue 587
Atom C of residue 560
LEU
Atom CA of residue 195
Atom CB of residue 20
Atom C of residue 46
Atom CA of residue 75
Atom CA of residue 447
LEU
Atom CA of residue 108
Atom CA of residue 61
Atom CA of residue 36
Atom CB of residue 60
Atom CA of residue 6
Atom CD of residue 17
PRO
Atom CA of residue 584
Atom CB of residue 136
Atom CA of residue 573
Atom CD1 of residue 30
LEU
Atom CA of residue 140
GLU
SER
GLU
Atom CA of residue 4
Atom CA of residue 141
MET
PHE
LEU
Atom CA of residue 301
Atom CZ3 of residue 104
Atom CA of residue 2631
VAL
Atom CG of residue 481
Atom CA of residue 446
DensityMap13
Atom O of residue 560
TYR
LEU
VAL
Atom CA of residue 132
Atom CG of residue 20
Atom O of residue 46
Atom CA of residue 130
Atom N of residue 575
Atom CA of residue 70
Atom CD1 of residue 497
ILE
Atom CG of residue 60
Atom N of residue 556
ASP
ILE
Atom NE of residue 17
Atom N of residue 90
Atom CA of residue 53
ILE
Atom CA of residue 443
GLY
ILE
Atom CA of residue 118
Atom N of residue 157
Atom CA of residue 72
VAL
TYR
Atom CA of residue 116
Atom CD of residue 74
LEU
ALA
GLY
MET
GLN
ASN
Atom CA of residue 148
Atom OD1 of residue 127
Atom CA of residue 2663
Atom CB of residue 451
Atom CA of residue 35
LEU
Atom CA of residue 76
Atom CA of residue 48
ILE
GLN
Atom CA of residue 498
Atom C of residue 46
VAL
Atom C of residue 575
Atom CA of residue 142
Atom CD2 of residue 497
ALA
GLU
Atom CA of residue 466
Atom CA of residue 30
ILE
ARG
ASP
LEU
Atom C of residue 527
Atom CA of residue 21
Atom CA of residue 58
PRO
Atom CA of residue 2646
Atom CE of residue 74
ASP
VAL
Atom CE2 of residue 104
Atom CA of residue 119
Atom CA of residue 541
Atom N of residue 468
GLY
LEU
Atom CA of residue 103
Atom OD2 of residue 127
Atom CA of residue 470
Atom CG of residue 451
THR
ARG
Atom CA of residue 551
Atom CA of residue 98
THR
TYR
TRP
Atom C of residue 130
Atom O of residue 46
Atom CB of residue 501
LEU
Atom CA of residue 271
Atom CA of residue 28
PRO
Atom CA of residue 22
PRO
Atom CA of residue 130
Atom CA of residue 142
Atom CA of residue 495
Atom CB of residue 17
Atom CA of residue 21
Atom SD of residue 76
Atom CA of residue 531
Atom CA of residue 26
Atom CA of residue 269
Atom O of residue 527
SER
Atom CA of residue 2638
ASP
Atom CA of residue 368
Atom C of residue 75
Atom CA of residue 101
Atom CA of residue 20
LEU
Atom CA of residue 151
Atom CE3 of residue 104
LYS
Atom CA of residue 538
Atom CA of residue 220
Atom CA of residue 122
Atom CA of residue 131
Atom ND1 of residue 20
Atom CA of residue 71
Atom CA of residue 524
PRO
Atom C of residue 30
Atom CA of residue 110
Atom CA of residue 54
Atom O of residue 130
PRO
Atom N of residue 502
ALA
Atom CA of residue 132
GLU
Atom CA of residue 157
Atom CA of residue 73
Atom CA of residue 344
ASP
Atom CG of residue 17
Atom CA of residue 2666
Atom CE of residue 76
Atom CA of residue 66
Atom CA of residue 84
Atom CA of residue 342
Atom N of residue 31
LEU
Atom CA of residue 38
Atom CA of residue 406
LEU
Atom C of residue 132
Atom O of residue 75
ARG
Atom CA of residue 2629
Atom CA of residue 68
Atom CA of residue 196
Atom CH2 of residue 104
ALA
Atom CA of residue 448
MET
Atom CA of residue 109
Atom CA of residue 92
Atom CA of residue 62
Atom CB of residue 560
Atom CD2 of residue 20
Atom CA of residue 50
Atom CA of residue 467
GLN
VAL
Atom CB of residue 46
VAL
Atom CA of residue 517
Atom CD of residue 481
Atom CA of residue 585
PHE
TRP
LYS
Atom ND1 of residue 20
Atom CZ of residue 17
ALA
ALA
GLN
Atom CA of residue 4
ALA
Atom CD of residue 60
Atom CA of residue 302
Atom O of residue 132
Atom CA of residue 2632
Atom C of residue 48
VAL
Atom CA of residue 447
Atom C of residue 142
ARG
PHE
GLU
ASN
Atom OD1 of residue 567
Atom N of residue 105
Atom O of residue 30
GLU
Atom CG of residue 560
Atom C of residue 157
PRO
Atom CA of residue 131
Atom CA of residue 119
Atom CG of residue 46
Atom CA of residue 143
ILE
Atom CE of residue 481
Atom CA of residue 444
PRO
Atom C of residue 119
ASN
Atom CA of residue 119
Atom N of residue 498
GLY
Atom CA of residue 2
ILE
Atom CD2 of residue 20
Atom CA of residue 117
Atom C of residue 103
GLN
GLY
PRO
Atom NE of residue 60
ARG
SER
Atom N of residue 432
GLU
Atom O of residue 48
Atom CA of residue 132
Atom NZ of residue 74
Chain A
Atom CA of residue 2664
Atom O of residue 142
Atom CA of residue 161
LYS
VAL
Atom CA of residue 556
GLU
LYS
Atom CA of residue 90
Atom CA of residue 499
Atom N of residue 128
Atom CA of residue 55
Atom C of residue 531
Atom CA of residue 74
Atom C of residue 101
Atom CD of residue 451
TYR
Atom CB of residue 46
Atom O of residue 119
PHE
MET
Atom CA of residue 39
Atom CA of residue 59
SER
ARG
Atom O of residue 103
Chain D
Atom CZ2 of residue 104
Atom CA of residue 542
ARG
TYR
Atom CB of residue 527
Atom CB of residue 30
GLU
ARG
Atom CA of residue 76
GLN
SER
Atom CA of residue 471
ILE
MET
Atom C of residue 132
Model 28
SampledDensityMap60
Atom CA of residue 552
Atom CA of residue 99
Atom O of residue 157
Atom CA of residue 84
Atom CA of residue 2639
Atom CA of residue 468
ALA
Atom C of residue 119
GLU
PRO
Atom CB of residue 130
LEU
TYR
Atom O of residue 531
Atom CA of residue 272
Atom O of residue 101
Atom CA of residue 496
Atom N of residue 452
Atom N of residue 47
Atom CA of residue 22
Atom CA of residue 27
Atom CA of residue 468
Atom CA of residue 270
Atom CA of residue 14
VAL
Atom CA of residue 369
LEU
PHE
Atom N of residue 77
Atom C of residue 92
Atom CA of residue 152
Atom CZ3 of residue 104
VAL
Atom CA of residue 45
Atom C of residue 50
Atom CA of residue 539
Atom CG of residue 527
Atom CA of residue 221
Atom CA of residue 123
Atom NH1 of residue 17
Atom CB of residue 75
Atom CA of residue 12
GLY
Atom CD of residue 17
Atom O of residue 132
Atom CA of residue 525
LYS
Atom CA of residue 132
Atom CA of residue 111
Atom CA of residue 144
Atom CG of residue 130
GLU
ARG
Atom CE1 of residue 20
LEU
Atom CA of residue 32
PRO
Atom CA of residue 345
GLN
Atom CA of residue 2667
Atom CA of residue 67
Atom CA of residue 85
Atom CA of residue 343
Atom CA of residue 29
SER
Atom CA of residue 407
THR
Atom CG1 of residue 30
Atom CA of residue 133
PRO
ARG
SER
Atom O of residue 92
Atom CA of residue 162
Atom CA of residue 52
Atom CA of residue 197
Atom O of residue 50
Atom CB of residue 157
GLU
Atom CB of residue 132
LYS
Atom NH2 of residue 17
Atom O of residue 119
Atom SG of residue 75
Atom CA of residue 453
GLN
GLU
Atom CA of residue 56
Atom OE1 of residue 17
Atom CA of residue 110
Atom CA of residue 63
GLU
Atom CA of residue 75
Atom N of residue 75
Atom CA of residue 586
Atom CA of residue 21
Atom CA of residue 31
Atom CA of residue 40
LYS
GLY
Atom NZ of residue 481
Atom CD1 of residue 560
LEU
ASP
GLU
Atom CA of residue 303
Atom C of residue 556
Atom CA of residue 2633
Atom CE1 of residue 20
Atom CD of residue 46
Atom C of residue 90
ALA
SER
VAL
Atom CA of residue 448
PRO
GLU
Atom CZ of residue 60
THR
Atom CG1 of residue 132
Atom CA of residue 469
Atom CB of residue 48
GLU
TYR
Atom CA of residue 502
Atom CA of residue 454
Atom CB of residue 142
Atom CA of residue 538
CYS
GLU
Atom CA of residue 445
PHE
LYS
Atom CA of residue 120
ALA
THR
Atom CG2 of residue 30
Atom CA of residue 118
Atom OG of residue 572
ALA
Atom CB of residue 119
Atom CD2 of residue 560
THR
VAL
1tdx.pdb
LEU
Atom O of residue 31
Atom CG of residue 157
ILE
Atom O of residue 556
LEU
Atom CA of residue 21
PRO
Atom CB of residue 119
Atom N of residue 47
Atom O of residue 90
Atom CB of residue 103
Atom CA of residue 147
GLY
Atom CA of residue 477
Atom CA of residue 2665
SER
Atom CA of residue 2629
Atom CA of residue 61
CYS
Atom CG of residue 48
Atom CA of residue 133
GLN
Atom CA of residue 500
Atom CA of residue 145
Atom CA of residue 3
Atom CG1 of residue 142
Atom C of residue 468
Atom CA of residue 498
THR
Atom CA of residue 87
Atom CA of residue 16
VAL
Atom CB of residue 531
Atom CA of residue 2630
GLU
ILE
Atom CA of residue 134
Atom CB of residue 101
Atom CA of residue 14
Model 31
LYS
Atom CG of residue 119
Atom CA of residue 163
Atom CA of residue 543
Atom NE2 of residue 20
GLY
Chain
ARG
VAL
Atom CG of residue 103
Atom CA of residue 128
Atom CA of residue 57
Atom CA of residue 472
LYS
ARG
Atom CH2 of residue 104
LEU
Atom CA of residue 553
Atom CA of residue 100
mol_3
Atom CE of residue 118
Atom CA of residue 2640
Atom CA of residue 76
Model 38
LYS
Atom CA of residue 273
Atom CB of residue 132
Atom O of residue 468
Atom OD1 of residue 527
Atom CD1 of residue 30
Atom CA of residue 497
Atom CA of residue 23
Atom N of residue 532
Atom CA of residue 28
Atom CD of residue 157
Atom CA of residue 271
LEU
Atom CA of residue 370
Atom CG1 of residue 119
TYR
Atom CG of residue 101
Atom CD of residue 130
SER
ARG
Atom CA of residue 153
Atom CA of residue 46
Atom N of residue 21
Atom CA of residue 540
Atom CA of residue 41
Atom CA of residue 10
Atom CA of residue 222
Atom CA of residue 470
Atom CA of residue 124
Atom N of residue 18
ALA
LEU
GLU
Atom N of residue 482
Atom CB of residue 92
Atom N of residue 105
Atom CA of residue 526
Atom N of residue 51
Atom C of residue 31
PRO
Atom NE2 of residue 20
Atom CA of residue 112
Atom CA of residue 8
Atom OE2 of residue 17
LYS
LEU
Atom CG1 of residue 132
LEU
Atom OD2 of residue 527
Atom NH1 of residue 60
Atom CA of residue 346
ASN
Atom N of residue 76
Atom CA of residue 2668
Atom CA of residue 77
VAL
Atom CA of residue 68
Atom CA of residue 86
Atom CA of residue 344
ARG
Atom CA of residue 408
LEU
Atom OE1 of residue 130
Atom CA of residue 478
ASP
Atom C of residue 502
Atom CA of residue 53
Atom CA of residue 30
Atom CA of residue 105
LYS
LYS
Atom CA of residue 134
LYS
Atom CA of residue 146
ASP
Atom CA of residue 111
Atom CG1 of residue 92
Atom CA of residue 64
THR
Atom CB of residue 61
Atom N of residue 21
Atom N of residue 31
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 47
Atom CA of residue 587
Atom C of residue 432
Atom NH2 of residue 60
Atom CA of residue 141
Atom CG2 of residue 132
ALA
Atom CG2 of residue 119
LYS
Atom CA of residue 135
ALA
Atom CA of residue 452
LEU
Atom CA of residue 164
PRO
ASN
LYS
UpdateRigidBodyMembers19
Atom CA of residue 7
Atom CA of residue 304
Atom CA of residue 2634
VAL
Atom CA of residue 58
ALA
Atom O of residue 502
Atom CA of residue 453
Atom N of residue 561
LYS
ASP
LEU
Atom C of residue 498
Atom CB of residue 556
PRO
Atom CA of residue 77
GLY
Atom CB of residue 90
Atom CA of residue 450
Atom CA of residue 75
Atom CA of residue 5
LYS
ALA
Atom CA of residue 539
PRO
Atom CA of residue 446
GLY
PRO
Atom CA of residue 121
Atom CD1 of residue 132
HIS
Atom CD of residue 48
THR
Atom CA of residue 119
Atom C of residue 128
Atom CA of residue 18
SER
LYS
Atom CG2 of residue 142
ALA
MET
VAL
VAL
GLU
Atom CA of residue 471
ASN
TYR
Atom CA of residue 2666
SER
ALA
GLU
Atom O of residue 498
Atom CA of residue 40
Atom N of residue 557
ALA
ILE
Atom CG1 of residue 90
Atom CA of residue 501
Atom CD1 of residue 119
ILE
TYR
Atom N of residue 120
Atom CD1 of residue 103
SER
VAL
GLY
Atom CB of residue 468
CYS
Atom CE of residue 48
LEU
Atom O of residue 128
Atom CA of residue 479
Atom N of residue 18
Atom CA of residue 2631
Atom N of residue 143
Atom CA of residue 544
PRO
SER
PHE
Atom CA of residue 135
Atom CA of residue 473
Atom CA of residue 7
GLN
ILE
PHE
Atom CA of residue 554
Atom CA of residue 101
Atom CA of residue 18
Atom CA of residue 2641
Atom CA of residue 31
Atom CD of residue 101
VAL
Atom C of residue 77
GLU
Atom CD2 of residue 119
Atom CA of residue 274
Atom O of residue 432
Atom CA of residue 142
Atom CA of residue 136
Atom CD2 of residue 103
Atom CA of residue 498
Atom CD1 of residue 575
Atom CA of residue 24
Atom CA of residue 29
Atom CA of residue 165
Atom CG of residue 468
Atom N of residue 528
Atom CA of residue 272
Atom C of residue 105
Atom CA of residue 371
SER
LEU
Atom CA of residue 154
Atom CG2 of residue 132
Atom CA of residue 47
Atom CA of residue 51
Atom CA of residue 541
Atom CA of residue 276
Atom CA of residue 42
Atom CA of residue 223
Atom CA of residue 78
ILE
Atom CA of residue 125
Atom CA of residue 47
GLY
Atom NE2 of residue 130
SER
Atom C of residue 47
Fit restraint scratch map
Atom CA of residue 527
THR
LEU
PRO
LEU
Atom CA of residue 113
Atom CA of residue 78
Atom CE of residue 101
Atom C of residue 452
LEU
Atom O of residue 77
ILE
Atom CA of residue 43
ASN
Atom N of residue 61
Atom CA of residue 347
Atom CG of residue 21
ILE
ILE
ALA
Atom CA of residue 147
VAL
Atom CA of residue 2669
Atom CG2 of residue 92
Atom CA of residue 69
Atom CA of residue 87
Atom CA of residue 345
LYS
GLU
Atom CA of residue 409
Atom O of residue 105
Atom CA of residue 472
THR
Atom C of residue 75
TYR
Atom CA of residue 482
LEU
Atom CD1 of residue 132
Atom CA of residue 22
PRO
MET
Atom C of residue 31
ALA
ARG
Atom CA of residue 112
Atom O of residue 47
Atom CB of residue 502
Atom CA of residue 65
ALA
Atom CA of residue 11
DensityMap1071
Atom CA of residue 120
Atom C of residue 78
Atom O of residue 452
Atom CA of residue 532
PHE
SER
ASN
Atom CA of residue 18
Atom CA of residue 9
Atom CA of residue 480
Atom N of residue 93
ASP
Atom O of residue 567
MET
HIS
GLY
Atom CA of residue 305
Atom N of residue 133
GLU
Atom CA of residue 136
Atom O of residue 75
PHE
ILE
ALA
LYS
LEU
PHE
THR
Atom CA of residue 2635
Atom CA of residue 451
Atom CG of residue 502
Atom CB of residue 78
Atom CB of residue 498
Atom CB of residue 432
Atom CA of residue 143
Atom CA of residue 540
Atom CA of residue 22
Atom CA of residue 137
LEU
Atom CA of residue 447
PHE
GLU
Atom CA of residue 166
Atom CA of residue 122
PRO
HIS
ALA
Atom CG2 of residue 90
Atom CA of residue 120
LYS
Atom CA of residue 561
ARG
ALA
Atom CD of residue 118
ILE
THR
PRO
Atom CA of residue 79
ILE
Atom NZ of residue 48
Atom CB of residue 128
Atom CA of residue 5
Atom CA of residue 2667
Atom CA of residue 450
GLU
ASP
Atom CA of residue 326
Atom CA of residue 41
Atom CA of residue 3
Atom C of residue 120
LEU
Atom O of residue 78
Atom CA of residue 502
GLN
Atom CG of residue 498
VAL
TYR
ARG
Atom N of residue 131
PHE
GLU
Atom N of residue 120
GLN
Atom C of residue 51
ARG
Atom CA of residue 513
ILE
Atom C of residue 47
Atom CD1 of residue 90
Atom NE1 of residue 103
Atom CA of residue 2632
Atom CA of residue 545
DensityMap26
Atom CB of residue 77
Atom CG of residue 128
Atom CA of residue 474
ILE
Atom CA of residue 105
Atom CA of residue 555
Atom CA of residue 102
Atom CD of residue 468
Atom CG of residue 78
Atom CA of residue 19
Atom O of residue 61
VAL
Atom CA of residue 2642
GLY
Atom CA of residue 313
Atom CA of residue 517
SER
Atom C of residue 570
Atom CG of residue 41
Atom NZ of residue 101
ALA
Atom CA of residue 481
Atom CA of residue 499
Atom CA of residue 18
Atom C of residue 482
Atom CA of residue 25
Atom CB of residue 77
Atom CA of residue 2
LEU
Atom CA of residue 30
Atom O of residue 51
Atom CA of residue 273
GLU
PRO
Atom CA of residue 372
LEU
Atom CA of residue 137
Atom O of residue 47
Atom CA of residue 155
Atom CA of residue 48
Atom CA of residue 542
LEU
Atom CA of residue 557
Atom CB of residue 105
Atom CA of residue 224
VAL
Atom CA of residue 126
Atom O of residue 120
PRO
LYS
Atom C of residue 532
Atom N of residue 133
Atom CE of residue 468
Atom CA of residue 528
Atom CB of residue 31
Atom CA of residue 144
MET
Atom C of residue 18
Atom CA of residue 114
Atom N of residue 432
Atom CA of residue 138
Atom CA of residue 2
Atom CA of residue 6
LEU
Atom CB of residue 47
GLY
Atom CA of residue 167
Atom CA of residue 44
GLU
Atom C of residue 6
Atom CA of residue 528
Atom CA of residue 24
Atom CA of residue 348
HIS
Atom C of residue 148
Atom CA of residue 148
Atom CB of residue 452
Atom O of residue 482
Atom CA of residue 2670
Atom CG of residue 77
Atom CA of residue 70
Atom CA of residue 346
GLU
ASN
Atom CA of residue 410
Atom CA of residue 80
Atom CA of residue 141
VAL
GLY
CYS
Atom CA of residue 143
Atom CA of residue 88
Atom CD of residue 78
Atom CA of residue 327
THR
Atom CB of residue 63
Atom CG of residue 105
Atom CB of residue 75
PHE
Atom CA of residue 113
Atom O of residue 532
PRO
NullModifier0
Atom CD1 of residue 41
Atom O of residue 18
Atom N of residue 49
CYS
LYS
Atom CG of residue 47
Atom C of residue 561
LYS
Atom N of residue 433
ARG
TYR
Atom N of residue 453
Atom CD1 of residue 502
VAL
MET
ALA
Atom CA of residue 306
Atom CB of residue 120
LEU
Atom CA of residue 4
VAL
LEU
ASP
GLU
GLN
Atom CA of residue 12
ALA
NormalizeRotation0
Atom CA of residue 2636
Atom O of residue 118
1z5s_C.pdb
Atom CA of residue 452
Atom SG of residue 75
Atom CE2 of residue 103
LEU
THR
Atom CA of residue 541
LYS
Atom CA of residue 10
Atom CA of residue 482
ARG
Atom CA of residue 448
VAL
Atom O of residue 561
ALA
Atom CA of residue 123
Atom O of residue 4
Atom CA of residue 133
PRO
MET
Atom CA of residue 138
ARG
Atom CA of residue 121
Atom CD2 of residue 502
PHE
Atom C of residue 105
MET
Atom SD of residue 498
LEU
GLY
Atom CG of residue 63
GLU
ALA
GLN
Atom N of residue 91
Atom N of residue 102
Atom O of residue 149
LEU
Atom CA of residue 2668
Atom CA of residue 451
LYS
Atom N of residue 32
Atom CA of residue 42
Atom CA of residue 145
GLN
Atom CD2 of residue 41
LEU
Chain C
Atom CA of residue 139
Atom CA of residue 503
Atom CE3 of residue 103
Atom C of residue 18
Atom NE of residue 147
Atom CA of residue 67
Atom CA of residue 168
Atom CG of residue 41
THR
THR
GLN
GLY
Atom CD of residue 128
VAL
GLU
ARG
Atom C of residue 557
HIS
python stream
Atom CA of residue 81
Atom CG of residue 120
Atom CA of residue 142
Atom CA of residue 93
Atom CA of residue 2633
Atom O of residue 105
Atom CA of residue 546
Atom CE of residue 498
Atom CB of residue 51
Atom CA of residue 328
Atom N of residue 48
GLY
ASP
Atom CA of residue 475
Atom CA of residue 34
LEU
Atom CA of residue 556
Atom CA of residue 103
Atom C of residue 528
Atom CA of residue 37
Atom CA of residue 2643
Atom CA of residue 532
Atom CA of residue 141
GLN
Atom CA of residue 131
ASP
Atom O of residue 18
Atom CA of residue 120
Atom NZ of residue 468
ASP
Atom CA of residue 63
CYS
Atom CA of residue 35
Atom N of residue 129
Atom CA of residue 500
Atom CA of residue 31
Atom C of residue 143
Atom CA of residue 274
Atom O of residue 557
Chain A
Atom CA of residue 373
Atom CB of residue 482
Atom CA of residue 156
VAL
Atom CA of residue 134
Atom CA of residue 49
Atom OG1 of residue 51
Atom CA of residue 543
ALA
Atom CA of residue 225
TYR
Atom NE1 of residue 41
Atom CA of residue 127
LYS
ALA
Atom CD of residue 77
VAL
Atom CD1 of residue 41
ILE
Atom CA of residue 529
Atom CG of residue 4
Atom O of residue 528
ALA
Atom CA of residue 115
Atom CA of residue 483
ARG
ARG
Atom CB of residue 532
PRO
Atom CA of residue 25
LEU
Atom CD of residue 105
LEU
Atom CA of residue 349
Atom CB of residue 18
Atom CA of residue 139
Atom CD1 of residue 120
VAL
PRO
Atom CA of residue 149
Atom CA of residue 2671
ASP
Atom O of residue 143
Atom CA of residue 71
Atom CA of residue 347
LEU
Atom CA of residue 411
ALA
SER
Atom CG of residue 482
Atom CD of residue 47
PRO
Atom CA of residue 477
Atom CA of residue 133
Atom CA of residue 89
GLU
THR
Atom CA of residue 146
ARG
Atom CA of residue 140
ASN
Atom CA of residue 20
SER
Atom CA of residue 114
Atom NE of residue 77
Atom CA of residue 169
Atom CA of residue 7
LEU
Atom C of residue 133
Atom CB of residue 31
Atom CG1 of residue 532
Atom CA of residue 276
Atom OE1 of residue 105
Atom CA of residue 82
ASP
Atom N of residue 19
Atom CA of residue 143
Atom N of residue 76
Atom CA of residue 26
LEU
Atom CB of residue 561
VAL
ASN
Atom CA of residue 433
GLY
LYS
Atom NE of residue 47
Atom CE1 of residue 502
ASP
ALA
TRP
Atom CD2 of residue 41
GLU
ILE
Atom CA of residue 2637
Atom CA of residue 142
Atom CA of residue 49
ASN
HIS
Atom CZ2 of residue 103
GLU
Atom CA of residue 31
Atom O of residue 6
Atom CA of residue 72
Atom CA of residue 33
Atom O of residue 133
Atom CA of residue 542
GLN
Atom CD2 of residue 120
VAL
Atom CA of residue 452
Atom C of residue 93
LYS
VAL
Atom CA of residue 130
Atom CA of residue 124
Atom CA of residue 314
GLN
Atom C of residue 116
Atom CA of residue 122
LYS
ALA
Atom N of residue 562
SER
GLU
Atom N of residue 469
ASN
VAL
LYS
Atom CE2 of residue 41
ASP
Atom C of residue 131
HIS
Atom CA of residue 2669
Atom CA of residue 452
Atom CB of residue 105
Atom C of residue 120
PHE
VAL
Atom N of residue 499
Atom CA of residue 43
Atom N of residue 32
GLY
Atom CA of residue 432
Atom CA of residue 504
Atom CZ3 of residue 103
Atom CA of residue 484
PRO
Atom CA of residue 23
SER
PHE
Atom CA of residue 140
GLU
ARG
Atom CA of residue 453
Atom CB of residue 18
LYS
GLU
Atom O of residue 93
ILE
ASN
GLU
Atom CA of residue 48
Atom CA of residue 91
Atom CA of residue 102
ILE
Atom CA of residue 21
ALA
ALA
Atom CA of residue 2634
Atom CA of residue 478
Atom CA of residue 547
VAL
Atom NE1 of residue 41
Atom CA of residue 6
Atom CA of residue 147
Atom CB of residue 557
VAL
Atom CA of residue 141
Atom O of residue 131
Atom CA of residue 476
LEU
python stream
Atom CG of residue 105
Atom O of residue 120
Atom CA of residue 170
Atom CA of residue 557
Atom CA of residue 104
GLN
ALA
Atom CA of residue 2644
Atom CA of residue 533
Atom N of residue 121
Atom CG2 of residue 51
Atom CB of residue 528
Atom CA of residue 83
Atom CA of residue 144
Atom CA of residue 501
Atom CG of residue 18
Atom CA of residue 32
Atom C of residue 133
Atom CA of residue 275
Atom CA of residue 374
Atom CE3 of residue 41
GLU
Atom CA of residue 157
GLN
Atom CB of residue 143
Atom CA of residue 50
Atom CA of residue 544
Atom CG of residue 557
Atom CA of residue 226
GLU
Atom CA of residue 143
GLU
Atom CA of residue 128
ARG
ALA
ALA
Atom CA of residue 530
Atom CA of residue 73
LEU
ASN
Atom CA of residue 116
Atom OD1 of residue 482
Atom CE2 of residue 502
ASN
Atom N of residue 52
Atom CG of residue 528
Atom C of residue 433
Atom CA of residue 26
Atom CA of residue 350
SER
Atom CA of residue 150
Atom CA of residue 2672
SER
Atom O of residue 133
Atom CA of residue 72
Atom CA of residue 348
Atom CB of residue 4
VAL
LEU
Atom CA of residue 412
Atom OE2 of residue 105
Atom C of residue 49
Atom CA of residue 13
GLU
Atom CG2 of residue 532
Atom CA of residue 131
Atom CG of residue 143
LYS
Atom CA of residue 159
HIS
Atom CA of residue 33
ASP
LYS
Atom C of residue 432
SER
Atom CA of residue 485
Atom CA of residue 115
Atom CZ of residue 47
LYS
HIS
TYR
Atom CA of residue 78
Atom OD2 of residue 482
LEU
Atom CZ of residue 502
Atom CA of residue 277
Atom O of residue 433
Atom CB of residue 133
Atom CZ2 of residue 41
PHE
Atom CA of residue 129
Atom NZ of residue 78
Atom CA of residue 479
GLN
ARG
Atom CE2 of residue 41
Atom CA of residue 148
Atom NE of residue 115
GLU
Atom O of residue 49
Atom CA of residue 74
Atom CA of residue 142
normalize rigid bodies
VAL
Atom CD1 of residue 532
ILE
Atom CA of residue 171
PRO
ARG
Atom C of residue 4
THR
GLN
ALA
Atom CA of residue 2646
Atom CA of residue 121
Atom O of residue 432
Atom C of residue 453
PHE
Atom CD2 of residue 575
Atom CA of residue 32
Atom CA of residue 84
Atom CA of residue 543
Atom CA of residue 145
Atom C of residue 48
Atom C of residue 91
Atom C of residue 78
Atom C of residue 102
Atom CH2 of residue 103
LYS
ILE
GLU
Atom CA of residue 125
MET
Atom CA of residue 315
Atom CG of residue 133
ARG
Atom CA of residue 123
Atom CB of residue 93
PRO
ALA
ARG
SER
HIS
ALA
Atom CA of residue 144
PRO
VAL
ARG
Atom CA of residue 14
Atom CA of residue 2670
Atom CA of residue 27
LYS
Atom CA of residue 74
Atom CA of residue 44
Atom CA of residue 2638
ILE
Atom CA of residue 505
Atom CB of residue 131
Atom O of residue 453
Atom CB of residue 120
Atom CG of residue 6
LEU
Atom CZ3 of residue 41
Atom CA of residue 19
Atom O of residue 48
Atom O of residue 91
Atom O of residue 102
Atom N of residue 104
ALA
Atom CA of residue 450
GLU
Atom CD of residue 105
VAL
ALA
Atom CA of residue 469
Atom CE3 of residue 41
VAL
ALA
PRO
Atom CA of residue 17
VAL
Atom SG of residue 93
Atom CA of residue 132
ASP
Atom CA of residue 548
Atom CA of residue 499
Atom C of residue 121
Atom CA of residue 15
Atom CA of residue 477
THR
Atom CD1 of residue 18
GLY
Atom CA of residue 2635
Atom CA of residue 558
Atom CA of residue 105
Atom N of residue 106
Atom CA of residue 2645
Atom CA of residue 534
PRO
LEU
GLU
Atom O of residue 78
Atom N of residue 132
Atom CG of residue 120
Atom CD of residue 557
Atom CA of residue 8
Atom CA of residue 502
Atom NH1 of residue 47
Atom OE1 of residue 105
Atom CA of residue 562
Atom CA of residue 33
Atom CA of residue 480
PRO
Atom CA of residue 119
Atom CA of residue 276
Atom CA of residue 149
Atom CA of residue 375
TYR
LYS
Atom CA of residue 143
Atom N of residue 79
Atom CA of residue 20
Atom CB of residue 133
Atom CA of residue 172
Atom CA of residue 51
ALA
Atom CA of residue 545
Atom CD of residue 528
Atom CA of residue 227
Atom CA of residue 129
Atom CA of residue 2
Atom CD2 of residue 18
Atom CA of residue 3
GLU
Atom CA of residue 531
HIS
Atom CA of residue 85
ASN
Atom CH2 of residue 41
Atom CA of residue 117
Atom CA of residue 146
Atom C of residue 129
Atom CA of residue 486
Atom N of residue 503
Atom CD of residue 143
Atom CZ2 of residue 41
ILE
Atom CA of residue 27
Atom N of residue 558
Atom CA of residue 351
ILE
Atom CA of residue 151
ARG
Atom N of residue 483
Atom CA of residue 2673
Atom NH2 of residue 47
GLU
Atom CA of residue 73
Atom CA of residue 349
Atom CB of residue 433
PRO
Atom CA of residue 413
LEU
Atom CA of residue 145
Atom O of residue 121
GLU
GLU
HIS
Atom CG of residue 133
Atom N of residue 5
Atom CA of residue 75
Atom CE of residue 528
LEU
Atom CB of residue 49
Atom CA of residue 75
SER
Atom CA of residue 116
VAL
Atom N of residue 533
LYS
Atom CB of residue 432
Atom CB of residue 150
Atom O of residue 129
GLY
ASN
Atom CA of residue 278
PHE
Atom OE1 of residue 143
Atom C of residue 119
LEU
PRO
SER
Atom CA of residue 9
GLU
Atom CA of residue 133
ASP
GLN
ASP
Atom CG of residue 433
GLU
Atom CA of residue 3
SER
VAL
LEU
PRO
VAL
LYS
ASN
Atom CD of residue 133
ASN
Atom N of residue 42
Atom C of residue 19
Atom N of residue 50
ALA
ALA
Atom C of residue 469
Atom CZ3 of residue 41
Atom CA of residue 33
Atom CA of residue 15
Atom CA of residue 544
Atom N of residue 433
Atom N of residue 151
Atom CB of residue 453
LYS
ALA
VAL
Atom CA of residue 481
Atom CA of residue 126
Atom C of residue 499
Atom CA of residue 52
Atom CA of residue 150
Atom CA of residue 316
Atom CA of residue 2639
TYR
GLU
Atom CB of residue 121
Atom CB of residue 48
Atom N of residue 92
Atom CA of residue 144
Atom CA of residue 124
Atom CB of residue 102
ARG
LEU
Chain B
Atom CA of residue 173
ASP
VAL
MET
VAL
Atom CA of residue 2671
ALA
Atom CA of residue 45
Atom N of residue 134
Atom CA of residue 86
Atom O of residue 19
GLN
Atom CA of residue 506
NormalizeRotation3
VAL
Atom CA of residue 28
Atom N of residue 94
Atom C of residue 562
Atom O of residue 469
Atom CA of residue 130
GLN
Atom OG of residue 453
Atom CA of residue 451
ASP
ALA
ASP
Atom O of residue 499
VAL
Atom CB of residue 117
VAL
Atom CA of residue 146
Atom CG of residue 48
LEU
TYR
Atom CG of residue 102
GLU
Atom OE2 of residue 105
Atom CD1 of residue 120
Atom CA of residue 549
GLU
CYS
Atom CA of residue 478
ILE
Atom CA of residue 2636
TRP
Atom CA of residue 559
Atom CA of residue 106
Atom CH2 of residue 41
Atom CA of residue 36
Atom CA of residue 2662
Atom CA of residue 535
Atom N of residue 119
GLN
Atom N of residue 19
LEU
Atom O of residue 562
LYS
GLN
ALA
Atom CG of residue 121
Atom CA of residue 34
ALA
Atom CA of residue 503
Atom N of residue 48
Atom CA of residue 66
Atom CA of residue 134
ASP
PHE
Atom CA of residue 277
LEU
Atom CA of residue 376
LYS
Atom CA of residue 147
Atom O of residue 150
GLU
Atom O of residue 136
Atom CD2 of residue 120
LEU
Atom CA of residue 546
Atom CA of residue 106
Atom CA of residue 228
VAL
Atom CA of residue 42
ARG
Atom CA of residue 532
Atom CA of residue 70
Atom NZ of residue 528
ILE
ASN
HIS
Atom CA of residue 118
rigid bodies list
Atom CA of residue 151
Atom CA of residue 487
GLU
Atom CA of residue 482
Atom CD of residue 133
GLN
Atom CA of residue 151
THR
Atom CA of residue 352
Atom CA of residue 145
ILE
Atom CB of residue 129
Atom CA of residue 152
Atom CA of residue 2674
MET
Atom CA of residue 79
GLU
Atom OE2 of residue 143
Atom CA of residue 174
Atom CA of residue 74
Atom CA of residue 350
TYR
Atom CA of residue 414
UpdateRigidBodyMembers5
GLU
Atom O of residue 576
Atom N of residue 570
Atom CA of residue 160
Atom N of residue 42
LYS
Atom CA of residue 18
Atom CA of residue 87
Atom CA of residue 76
SER
Atom CA of residue 132
Atom CA of residue 117
Atom C of residue 52
Atom CA of residue 131
Atom CA of residue 570
Atom OD1 of residue 433
Atom CD of residue 121
ARG
Atom CA of residue 483
Atom CA of residue 16
Atom CA of residue 279
TYR
Atom N of residue 134
Atom CA of residue 21
AccumulateRigidBodyDerivatives5
PHE
GLY
GLU
NullModifier4
Atom N of residue 130
Atom CA of residue 21
Chain A
Atom O of residue 146
ASP
PHE
Atom O of residue 119
Atom C of residue 42
ASP
Atom CA of residue 19
SER
Atom CA of residue 503
Atom CA of residue 533
TYR
THR
LEU
ALA
THR
LEU
Atom CA of residue 11
Atom C of residue 151
Atom N of residue 106
ASP
Atom CA of residue 34
Atom O of residue 52
ALA
Atom OD2 of residue 433
Atom CA of residue 28
ALA
GLY
Atom CA of residue 545
python stream rigid body
Atom CB of residue 19
Atom CA of residue 92
NormalizeRotation4
1z5s_A_fitted.pdb
Atom CA of residue 104
GLN
GLU
Atom CA of residue 135
ASP
Atom CB of residue 469
Atom CA of residue 127
Atom CA of residue 558
SER
Atom CA of residue 317
Atom CA of residue 2640
ALA
ARG
Atom CA of residue 125
GLU
Atom CB of residue 499
VAL
LYS
TYR
THR
Atom N of residue 454
Atom CA of residue 2672
Atom CA of residue 440
ILE
Atom OD1 of residue 6
Atom CA of residue 71
Atom N of residue 119
Atom CA of residue 46
ALA
Atom CA of residue 147
Atom CE of residue 121
GLU
Atom CD of residue 48
Atom OD1 of residue 102
Atom CA of residue 507
ARG
HIS
Atom CA of residue 483
Atom CA of residue 152
Atom CA of residue 7
Atom CG of residue 19
Atom CA of residue 146
Chain A
ALA
ASP
Atom CA of residue 94
Atom CB of residue 562
MapReaderWriter37
Atom CA of residue 175
ASN
Atom CA of residue 54
Atom CG1 of residue 469
Atom N of residue 529
Atom CB of residue 119
PHE
Atom CA of residue 38
Atom C of residue 106
LEU
Atom O of residue 42
Atom CA of residue 550
Atom CA of residue 42
Atom CG of residue 499
Atom CA of residue 88
Atom CA of residue 50
LYS
Atom O of residue 151
Atom CA of residue 36
Atom CA of residue 479
SER
GLN
Atom CA of residue 2637
Atom N of residue 121
Atom N of residue 144
Atom CA of residue 560
Atom CA of residue 107
Atom CA of residue 132
Atom CA of residue 536
ALA
Atom CE of residue 48
Atom CA of residue 433
Atom OD2 of residue 102
LYS
TRP
Atom C of residue 79
THR
SER
LYS
Atom CA of residue 504
Atom CG of residue 562
VAL
Atom CA of residue 278
Atom CA of residue 85
Atom O of residue 106
Atom CA of residue 377
Atom CA of residue 148
Atom C of residue 132
TYR
Atom CA of residue 547
Atom CA of residue 229
Atom NZ of residue 121
Atom CA of residue 19
Atom C of residue 483
ASN
GLU
TYR
LEU
Atom CA of residue 533
GLU
Atom CA of residue 2647
Atom CA of residue 134
MET
Atom CA of residue 473
Atom CA of residue 119
Atom CA of residue 488
ASP
Atom O of residue 79
SER
Atom CA of residue 136
VAL
ASP
Atom CG1 of residue 119
GLY
PRO
Atom CB of residue 42
Atom CA of residue 353
ILE
Atom CA of residue 153
Atom CA of residue 2675
Atom C of residue 503
Atom C of residue 533
GLY
Atom CA of residue 75
Atom CA of residue 351
Atom C of residue 42
GLN
Atom CA of residue 415
PRO
Atom CE of residue 118
Atom CB of residue 151
MET
Atom O of residue 132
GLU
LYS
ARG
Atom CA of residue 77
Atom C of residue 92
PHE
Atom C of residue 104
GLN
Atom O of residue 483
Atom CA of residue 118
Atom CA of residue 48
Atom CA of residue 484
Atom C of residue 440
Atom CD of residue 63
Atom C of residue 558
ILE
Atom CA of residue 147
Atom CA of residue 17
Atom CA of residue 280
Atom CA of residue 176
VAL
Atom CB of residue 52
Atom N of residue 434
Atom CA of residue 39
ILE
Atom CA of residue 11
Atom O of residue 503
Atom O of residue 533
Atom CA of residue 35
TYR
SER
ARG
TYR
Atom CA of residue 89
Atom CA of residue 37
VAL
Atom CA of residue 22
GLU
LEU
ILE
Atom CA of residue 133
TYR
Atom O of residue 92
SER
Atom O of residue 104
Atom C of residue 94
ILE
Atom O of residue 440
Atom CA of residue 35
Atom CG2 of residue 119
Atom O of residue 558
Atom CA of residue 546
Atom CG of residue 42
ARG
ALA
LEU
Atom O of residue 42
Atom CA of residue 128
Atom CG of residue 52
VAL
ASP
Atom CA of residue 318
Atom CA of residue 2641
VAL
Atom NZ of residue 118
Atom C of residue 50
VAL
Atom CA of residue 126
Atom CG of residue 151
GLN
GLN
GLU
GLY
Atom OD1 of residue 19
Atom N of residue 122
Atom CA of residue 2673
ARG
Atom CA of residue 106
ALA
Atom CG2 of residue 469
ALA
ALA
Atom OE1 of residue 63
Atom CA of residue 47
LEU
Atom CA of residue 148
LEU
Atom CA of residue 508
MET
Atom CA of residue 454
Atom O of residue 94
Atom CA of residue 137
Atom CD of residue 499
PRO
UpdateRigidBodyMembers21
Atom NZ of residue 48
Atom N of residue 103
Atom CA of residue 130
LYS
GLU
HIS
Atom CA of residue 55
SampledDensityMap12
Atom CA of residue 29
GLY
ASN
SER
SER
Atom O of residue 50
ASN
Atom CA of residue 12
Atom C of residue 19
Atom CA of residue 551
Atom CA of residue 52
Atom CA of residue 86
Atom CB of residue 106
Atom CA of residue 6
Atom C of residue 134
Atom OD2 of residue 19
PHE
Atom C of residue 433
Atom CA of residue 480
GLU
Atom CA of residue 2646
Atom CD1 of residue 562
Atom CA of residue 485
Atom CA of residue 561
Atom CA of residue 108
Atom N of residue 470
Atom N of residue 120
Atom CA of residue 537
AccumulateRigidBodyDerivatives21
Atom CB of residue 63
Atom CA of residue 148
ASP
VAL
Atom CA of residue 1
Atom CB of residue 42
Atom OE1 of residue 499
Atom CA of residue 529
Atom CA of residue 40
Atom CD of residue 42
Atom CB of residue 77
Atom CD of residue 151
TRP
Atom CA of residue 505
Atom CB of residue 79
PHE
Atom CG1 of residue 5
Atom CA of residue 279
Atom CA of residue 90
Atom CA of residue 378
Atom CA of residue 454
ASP
Atom CA of residue 149
Atom CA of residue 38
Atom O of residue 19
Atom C of residue 48
ILE
Atom CA of residue 121
Atom CA of residue 144
Atom CA of residue 548
Atom CA of residue 134
Atom NE2 of residue 63
TRP
Atom CG of residue 106
Atom CA of residue 230
Atom O of residue 134
Atom CB of residue 132
Atom CA of residue 21
Atom CA of residue 2638
Atom CD2 of residue 562
TYR
Atom CA of residue 68
Atom CA of residue 534
Atom CA of residue 2648
VAL
Atom CA of residue 120
VAL
Atom CA of residue 489
Atom CB of residue 483
PRO
Atom CA of residue 4
THR
Atom CA of residue 354
LYS
Atom CA of residue 154
Atom CA of residue 2676
Atom CG of residue 79
Atom CA of residue 177
Atom CA of residue 76
Atom CA of residue 352
GLN
Atom CA of residue 416
Atom CA of residue 122
ASP
Atom O of residue 48
Atom CB of residue 503
Atom CB of residue 533
TYR
LEU
LEU
VAL
Atom CG of residue 63
Atom CA of residue 78
ASN
Atom CG of residue 132
Atom CA of residue 119
LEU
Atom CA of residue 138
THR
Atom CB of residue 92
Atom OE1 of residue 151
Atom CB of residue 104
Atom CG of residue 483
Atom CA of residue 281
Atom CB of residue 440
VAL
Atom CG of residue 42
Atom CD1 of residue 4
Atom CB of residue 558
GLY
SER
ILE
LEU
Atom C of residue 106
Atom CA of residue 36
PHE
PHE
GLY
ARG
Atom N of residue 49
PHE
PRO
Atom C of residue 454
Atom CG of residue 503
Atom N of residue 534
Atom CA of residue 23
THR
ALA
THR
GLY
Atom CD of residue 52
Atom CA of residue 120
GLY
Atom OE1 of residue 42
Atom CA of residue 149
Atom C of residue 130
Atom CA of residue 434
Atom CA of residue 547
Atom CG of residue 92
Atom CG of residue 104
ILE
Atom CB of residue 94
VAL
Atom CG of residue 440
Atom CA of residue 129
Atom CB of residue 5
ASP
Atom CG of residue 558
Atom CA of residue 319
ASP
Atom CA of residue 91
Atom CA of residue 2642
TRP
Atom CA of residue 455
Atom C of residue 122
ARG
Atom CA of residue 127
Atom CA of residue 69
LEU
Atom O of residue 106
GLN
Atom CA of residue 135
Atom N of residue 64
Atom CA of residue 41
ARG
Atom CD of residue 63
Atom N of residue 51
LYS
Atom CA of residue 22
Atom O of residue 454
Atom CA of residue 2674
CYS
mol0
ASN
Atom N of residue 53
Atom C of residue 529
Atom CA of residue 48
ALA
Atom CA of residue 149
Atom N of residue 20
LEU
ARG
Atom NE2 of residue 151
Atom CA of residue 148
Atom CA of residue 509
Atom CA of residue 39
Atom O of residue 130
ALA
Atom CA of residue 486
VAL
LYS
ASP
Atom CG of residue 94
Atom C of residue 121
Atom C of residue 144
ILE
THR
Atom CA of residue 56
Atom NE2 of residue 499
VAL
ASN
Atom CA of residue 20
Atom CA of residue 552
Atom CA of residue 53
THR
Atom CA of residue 30
Atom C of residue 120
THR
GLU
Atom CA of residue 481
Atom CB of residue 19
LEU
Atom CA of residue 139
Atom CA of residue 562
Atom CA of residue 109
Atom CA of residue 45
PRO
Atom O of residue 529
Atom CA of residue 538
Atom N of residue 135
HIS
Atom CA of residue 103
Atom CE1 of residue 562
Atom CD of residue 42
Atom CA of residue 88
Atom ND1 of residue 106
THR
VAL
Atom O of residue 122
Atom CA of residue 506
PRO
Atom CA of residue 2639
Atom O of residue 121
ALA
Atom O of residue 144
Atom N of residue 572
MET
Atom CA of residue 280
Atom CA of residue 379
Atom OE2 of residue 42
Atom OE1 of residue 63
Atom CA of residue 150
PHE
LYS
GLY
Atom CA of residue 549
Atom CA of residue 231
python stream rigid body rigid body positions
Atom CA of residue 150
Atom CG of residue 19
Atom CB of residue 48
Atom ND1 of residue 79
Atom CA of residue 535
Atom CD2 of residue 4
ALA
Atom CA of residue 2649
LEU
GLN
Atom CA of residue 121
Atom CA of residue 18
Atom CA of residue 490
Atom C of residue 567
Atom CD2 of residue 106
Atom CA of residue 92
ALA
Atom CA of residue 456
Atom CA of residue 355
GLY
Atom CA of residue 155
Atom CD of residue 132
Atom CA of residue 2677
Atom CA of residue 70
Atom CA of residue 178
Atom CA of residue 77
Atom CA of residue 353
Atom CA of residue 136
Atom CA of residue 64
Atom O of residue 120
PRO
Atom CA of residue 417
VAL
Atom CA of residue 23
ASP
Atom CD of residue 483
GLN
Atom C of residue 434
LYS
ARG
Atom CA of residue 79
ALA
Atom N of residue 152
SER
MET
mol_2 rigid body
Atom CA of residue 120
Atom CG of residue 48
Atom CD2 of residue 79
VAL
Atom CA of residue 470
Atom CB of residue 122
Atom CE1 of residue 77
Atom OD1 of residue 503
ASN
Atom CA of residue 282
VAL
Atom NE2 of residue 63
LYS
MapReaderWriter10
Atom OE1 of residue 132
Atom CA of residue 37
PRO
ILE
SER
ILE
Atom CD1 of residue 92
Atom CD of residue 104
LYS
Atom CA of residue 15
Atom OE1 of residue 483
Atom CA of residue 24
Atom CB of residue 106
Atom CA of residue 140
Atom CD1 of residue 440
PHE
ILE
Atom OE1 of residue 42
VAL
Atom N of residue 500
Atom O of residue 434
Atom CA of residue 18
Atom CD1 of residue 558
PRO
Atom CB of residue 454
TRP
LEU
VAL
Atom CA of residue 548
Atom CG of residue 77
LEU
Atom CB of residue 130
LYS
Atom ND2 of residue 503
SER
THR
LYS
Atom C of residue 64
Atom CB of residue 120
Atom CA of residue 320
Atom CA of residue 2643
PHE
Atom CA of residue 51
ALA
Atom CA of residue 49
Atom CA of residue 128
Atom CE2 of residue 562
ASP
Atom CA of residue 42
TYR
GLN
Atom C of residue 21
Atom CD2 of residue 92
Atom CA of residue 151
ALA
Atom C of residue 103
Atom NE of residue 104
Atom CA of residue 2675
mol_1 rigid body rigid body positions
Atom CD1 of residue 94
Atom CA of residue 11
Atom CG of residue 106
Atom CD2 of residue 440
LEU
LYS
Atom CA of residue 49
Atom CD2 of residue 558
THR
Atom CA of residue 150
Atom CG of residue 122
ASN
Atom CA of residue 510
Atom CA of residue 40
VAL
Atom OG of residue 454
Atom CA of residue 487
UpdateRigidBodyMembers13
Atom CA of residue 43
Atom CB of residue 529
Atom CA of residue 93
Atom N of residue 43
Atom CA of residue 457
Atom CG of residue 130
PHE
PHE
Atom CA of residue 71
GLY
PRO
Atom CA of residue 57
Atom CA of residue 57
Atom CA of residue 137
MET
LEU
ALA
Atom CA of residue 534
Atom CB of residue 121
Atom CZ of residue 562
ASN
Atom CB of residue 144
Atom CA of residue 553
Atom CA of residue 12
Atom CA of residue 135
Atom CA of residue 20
PRO
GLN
Atom CA of residue 152
Atom O of residue 103
Atom CA of residue 482
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
LEU
DensityMap885
Atom CD2 of residue 94
Atom CA of residue 563
Atom CA of residue 110
Atom CA of residue 46
AccumulateRigidBodyDerivatives13
Atom CA of residue 539
Atom O of residue 64
Atom CG1 of residue 529
Atom CG of residue 120
Atom CA of residue 89
Atom N of residue 64
Atom CA of residue 507
Atom CD of residue 19
Atom CA of residue 2640
ASP
Atom OE2 of residue 42
Atom OG1 of residue 8
TYR
Atom CA of residue 281
Atom CE1 of residue 106
Atom CA of residue 380
Atom CA of residue 151
Atom CA of residue 16
LEU
Atom CG of residue 121
Atom CA of residue 74
Atom CG of residue 144
Atom C of residue 470
UpdateRigidBodyMembers14
Atom CA of residue 550
LEU
Atom CA of residue 232
GLU
Atom OD1 of residue 122
ASP
Atom CA of residue 536
Atom CA of residue 53
Atom CA of residue 2650
CYS
GLN
ILE
Atom CA of residue 122
Atom CA of residue 11
Atom CA of residue 491
AccumulateRigidBodyDerivatives14
SER
Atom CE1 of residue 79
Atom CA of residue 7
GLU
CYS
Atom CA of residue 356
TYR
Atom CA of residue 156
Atom OE1 of residue 19
Atom CA of residue 2678
Atom SD of residue 48
Atom CA of residue 179
Atom CA of residue 78
Atom CA of residue 354
PRO
Atom CA of residue 418
Atom CD of residue 115
Atom CA of residue 152
Atom C of residue 152
Atom OE2 of residue 132
GLU
Atom O of residue 470
GLU
ALA
Atom CA of residue 80
ASN
Atom OE2 of residue 483
mol_2 rigid body rigid body positions
Atom CA of residue 121
ARG
GLN
Atom CB of residue 64
Atom CB of residue 434
Atom CD1 of residue 120
VAL
Atom CA of residue 94
MET
Atom CA of residue 458
Atom C of residue 51
Atom C of residue 49
Atom CA of residue 72
SER
Atom CA of residue 283
LEU
ALA
Atom CA of residue 138
GLN
PRO
Atom CA of residue 19
Atom CE of residue 48
Atom N of residue 504
Atom CA of residue 38
LYS
ILE
ALA
Atom CG2 of residue 8
Atom CE1 of residue 77
Atom OD2 of residue 122
ALA
Atom N of residue 147
Atom CA of residue 25
VAL
LYS
ALA
Atom CA of residue 19
LEU
Atom N of residue 93
Atom CZ of residue 104
Atom CB of residue 572
Atom CE1 of residue 440
Atom CG1 of residue 434
MET
Atom N of residue 559
Atom CA of residue 549
Atom CA of residue 64
Atom O of residue 51
Atom O of residue 49
SER
Atom C of residue 534
PRO
Atom ND1 of residue 106
GLU
CYS
Atom CA of residue 321
Atom CA of residue 14
Atom C of residue 135
Atom CA of residue 2644
GLY
Atom C of residue 20
GLN
Atom CA of residue 129
Atom O of residue 152
LEU
Atom N of residue 455
SER
Atom N of residue 563
LYS
Atom CA of residue 473
Atom CA of residue 500
TYR
SER
Atom CD of residue 130
Atom CA of residue 2676
TYR
Atom CG of residue 64
Atom CA of residue 50
Atom CD2 of residue 120
Atom NE2 of residue 106
LYS
LEU
Atom CA of residue 43
Atom CA of residue 151
ALA
GLU
ASP
Atom CB of residue 103
Atom CA of residue 511
VAL
GLN
PRO
Atom N of residue 95
ILE
Atom CA of residue 488
Atom C of residue 574
Atom N of residue 43
Atom CA of residue 44
LEU
Atom CA of residue 24
ALA
GLU
Atom O of residue 534
Atom CD2 of residue 106
LYS
LYS
Atom CA of residue 58
Atom CA of residue 58
GLU
SER
TYR
Atom O of residue 135
Atom O of residue 20
Atom N of residue 123
Atom CA of residue 153
Atom CA of residue 7
Atom CA of residue 22
VAL
Atom NE2 of residue 79
VAL
Atom CA of residue 554
Atom C of residue 53
Atom CG2 of residue 529
PRO
Atom OE1 of residue 130
ASN
Atom CA of residue 75
Atom CA of residue 564
Atom CA of residue 111
Atom CA of residue 47
Atom N of residue 107
Atom CA of residue 540
Atom CA of residue 8
Atom CA of residue 95
Atom C of residue 64
Atom CA of residue 459
Atom CG of residue 103
Atom N of residue 133
GLY
Atom CA of residue 73
SER
Atom OD1 of residue 121
Atom CD1 of residue 144
Atom N of residue 9
Atom CA of residue 139
Atom CA of residue 90
Atom CB of residue 152
Atom CA of residue 508
Atom N of residue 484
Atom CA of residue 2641
PHE
Atom CA of residue 282
Atom CA of residue 381
Atom CA of residue 152
LYS
Atom OE2 of residue 19
Atom N of residue 80
GLY
Atom O of residue 53
Atom CA of residue 551
Atom SD of residue 64
P2
Atom N of residue 530
GLU
Atom N of residue 121
Atom CA of residue 233
Atom CA of residue 518
LYS
Atom CB of residue 470
Atom CA of residue 537
Atom CA of residue 2651
ASP
Atom C of residue 43
UpdateRigidBodyMembers8
Atom CA of residue 123
ALA
Atom CA of residue 492
Atom CA of residue 66
Atom ND2 of residue 121
Atom CD2 of residue 144
CYS
GLN
GLN
Atom CA of residue 357
VAL
ALA
Atom NH1 of residue 104
Atom CA of residue 157
ALA
Atom CA of residue 2679
Atom CA of residue 180
Atom CA of residue 79
Atom CE2 of residue 440
Atom CA of residue 355
GLU
ASP
Atom N of residue 49
Atom CA of residue 6
SER
Atom CA of residue 5
SER
GLN
GLN
Atom CA of residue 81
AccumulateRigidBodyDerivatives8
THR
VAL
Atom CA of residue 122
MET
Atom CG1 of residue 470
SER
GLU
THR
THR
Atom OE2 of residue 32
Atom N of residue 153
GLY
Atom CA of residue 284
PHE
SER
Atom C of residue 500
ASN
Atom CB of residue 51
Atom CA of residue 123
Atom CB of residue 49
Atom CA of residue 154
PHE
Atom NH2 of residue 104
Atom CA of residue 39
Atom CZ of residue 440
ALA
LYS
Atom CG of residue 77
Atom CE of residue 64
normalize rigid bodies
Atom CG2 of residue 434
LYS
Atom CA of residue 116
GLU
CYS
THR
GLN
ARG
Atom CG of residue 567
ASP
Atom CA of residue 96
Atom CA of residue 460
ASP
Atom CA of residue 26
Atom CA of residue 454
Atom CA of residue 140
GLU
Atom CA of residue 550
Atom CA of residue 6
ALA
Atom CA of residue 504
THR
Atom CA of residue 4
LYS
Atom N of residue 576
Atom O of residue 500
Atom CA of residue 322
LEU
Atom CA of residue 2645
GLY
Atom OG1 of residue 51
ALA
Atom N of residue 50
LYS
Atom CA of residue 130
Atom CB of residue 534
Atom CE1 of residue 106
PHE
Atom N of residue 435
Atom CA of residue 121
TYR
Atom CB of residue 135
Atom CB of residue 20
Atom CA of residue 93
Atom CG of residue 577
Atom CA of residue 455
Atom CA of residue 2677
Atom CG1 of residue 148
GLY
ILE
Atom CA of residue 51
Atom CA of residue 559
VAL
LEU
Atom CA of residue 152
PRO
LYS
Atom CA of residue 512
Atom NE2 of residue 130
ASP
Atom CA of residue 67
Atom N of residue 20
Atom CA of residue 489
ASN
Model 42
Atom CA of residue 25
Atom N of residue 33
Atom C of residue 123
PRO
THR
Atom CA of residue 39
VAL
GLU
Atom CA of residue 59
Atom CA of residue 59
Atom N of residue 23
Atom N of residue 65
SER
Atom CD1 of residue 103
Atom CA of residue 23
ARG
Atom CG of residue 534
Atom C of residue 136
Atom CA of residue 555
ALA
Atom CG of residue 135
ILE
GLN
Atom CG of residue 20
LEU
DensityMap52
GLU
Atom CA of residue 95
Atom CA of residue 76
Atom CA of residue 565
Atom CA of residue 112
Atom CA of residue 48
SER
Atom CB of residue 53
LYS
LEU
Atom CA of residue 2632
Atom CA of residue 153
Atom CA of residue 4
ARG
GLU
Atom CA of residue 563
Atom CA of residue 91
ALA
Atom CA of residue 155
Atom CA of residue 35
Atom CA of residue 509
Atom CA of residue 519
Atom CA of residue 2642
ASP
Atom N of residue 122
ASP
Atom CE1 of residue 144
GLY
Atom CA of residue 5
Atom C of residue 121
Atom CA of residue 283
Atom CA of residue 382
Atom CA of residue 153
P1
Atom CD2 of residue 103
Atom CD of residue 577
Atom CA of residue 552
Atom CA of residue 234
Atom CA of residue 97
Atom N of residue 23
Atom CA of residue 461
Atom CA of residue 133
VAL
Atom CA of residue 538
Atom CA of residue 455
Atom CG of residue 53
Atom CA of residue 31
Atom CA of residue 141
Atom CA of residue 72
LYS
Atom CA of residue 2652
TYR
ARG
Atom O of residue 123
Atom CA of residue 124
Atom CA of residue 493
Atom CA of residue 484
THR
Atom CA of residue 9
LYS
Atom CA of residue 358
PHE
LEU
Atom N of residue 105
Atom CA of residue 20
Atom CA of residue 2680
Atom CA of residue 20
GLU
Atom C of residue 146
Atom CA of residue 181
Atom CA of residue 80
Atom N of residue 441
Atom CG2 of residue 470
Atom CA of residue 356
Atom C of residue 5
SER
UpdateRigidBodyMembers11
PHE
TYR
GLY
ALA
Atom CA of residue 82
Atom C of residue 153
PHE
Atom CA of residue 123
Atom C of residue 504
Atom NE2 of residue 106
ALA
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.mrc
ARG
PRO
THR
MET
Atom CA of residue 285
LYS
ASP
Atom CA of residue 65
Atom O of residue 121
GLY
Atom C of residue 93
GLY
PRO
Atom N of residue 131
Atom NE of residue 577
Atom C of residue 455
Atom CA of residue 49
Atom CA of residue 40
PRO
LEU
Atom N of residue 471
Atom CB of residue 500
Atom C of residue 559
Atom CA of residue 107
LEU
THR
python stream rigid body rigid body positions
LYS
LYS
ILE
MET
VAL
Atom CA of residue 530
SER
ALA
VAL
Atom CB of residue 118
Atom CG2 of residue 51
Atom CB of residue 123
GLY
ASP
Atom O of residue 504
Atom CA of residue 27
Atom N of residue 107
ARG
Atom CA of residue 551
Atom CA of residue 156
Atom CA of residue 36
SER
HIS
Atom CA of residue 80
ALA
ARG
Atom CA of residue 323
Atom CA of residue 2662
SER
LYS
Atom O of residue 93
Atom CA of residue 131
ALA
Atom O of residue 455
Atom CA of residue 36
Atom C of residue 95
Atom O of residue 5
Atom CG of residue 500
PRO
Atom O of residue 559
VAL
Atom CA of residue 98
Atom CA of residue 462
Atom O of residue 153
Atom CA of residue 2678
Atom C of residue 563
Atom CE2 of residue 144
PRO
Atom CA of residue 456
ALA
Atom CA of residue 142
Atom CA of residue 2
Atom CA of residue 73
Atom CA of residue 52
LYS
Atom CA of residue 153
Atom N of residue 52
ASN
Atom CA of residue 514
Atom CA of residue 20
ALA
Atom OD1 of residue 534
GLN
Atom CA of residue 490
Atom C of residue 65
Atom CB of residue 121
Atom CA of residue 26
Atom CD1 of residue 135
Atom ND1 of residue 20
ALA
Chain B
Atom CZ of residue 577
ALA
Atom CA of residue 40
PHE
LEU
Atom CA of residue 60
Atom CA of residue 60
GLN
ASN
Atom CA of residue 24
Atom C of residue 133
Atom O of residue 95
Atom CA of residue 556
Atom C of residue 41
LYS
PHE
Atom CG1 of residue 123
Atom NE1 of residue 103
Atom C of residue 484
PRO
Atom O of residue 563
Atom CA of residue 77
Atom CZ of residue 144
Atom CA of residue 566
Atom CA of residue 113
Atom CA of residue 49
VAL
Atom CA of residue 2633
Atom CD2 of residue 62
THR
MET
Atom ND2 of residue 534
Atom CA of residue 12
Atom CD of residue 147
Atom CA of residue 92
Atom CD2 of residue 135
Atom C of residue 41
Atom CD2 of residue 20
Atom CA of residue 50
Atom CA of residue 510
Atom CA of residue 520
Atom CA of residue 2643
GLY
Atom CD1 of residue 53
Atom CA of residue 284
GLU
Atom CA of residue 383
ASP
Atom CA of residue 154
Atom CB of residue 153
Atom O of residue 133
Atom CA of residue 23
LEU
THR
Atom CA of residue 553
Atom CA of residue 6
Atom CA of residue 435
THR
Atom CA of residue 235
Atom O of residue 484
ILE
Atom CA of residue 539
Atom CA of residue 32
Atom O of residue 65
Atom CG of residue 121
Atom CA of residue 2653
SampledDensityMap84
PHE
Atom C of residue 33
Atom CA of residue 125
Atom CA of residue 157
Atom NH1 of residue 149
Atom CA of residue 494
Atom CA of residue 37
Atom C of residue 49
Atom CA of residue 122
Atom CA of residue 577
Atom CA of residue 3
Atom C of residue 107
ALA
GLU
Atom CA of residue 2681
Atom CA of residue 182
Atom CA of residue 81
Atom CD2 of residue 53
Atom C of residue 530
SER
Atom CA of residue 99
Atom CA of residue 463
Atom CG2 of residue 123
GLN
GLU
SER
Atom CA of residue 457
Atom CA of residue 143
Atom CA of residue 74
CYS
LYS
Atom CA of residue 83
Atom O of residue 149
Atom CA of residue 20
Atom CA of residue 124
Atom C of residue 80
VAL
VAL
LEU
Atom CA of residue 10
Atom CA of residue 23
Atom CA of residue 360
Atom NH1 of residue 577
Atom O of residue 49
Atom CB of residue 504
Atom CA of residue 286
LEU
ARG
Atom O of residue 9
LEU
Atom O of residue 107
ALA
Atom CG of residue 153
PHE
Atom CA of residue 41
ALA
Atom O of residue 530
Atom CB of residue 93
Atom CA of residue 12
Atom CB of residue 455
Atom CA of residue 50
GLU
PHE
PRO
LEU
GLU
GLU
Atom CB of residue 65
Atom CA of residue 13
Atom CD of residue 121
Atom CB of residue 559
LEU
Atom O of residue 33
Atom CA of residue 105
Atom C of residue 20
Atom O of residue 80
Atom CA of residue 28
Atom CA of residue 441
Atom CD of residue 500
PHE
GLY
Atom CA of residue 552
PHE
PRO
Atom CE2 of residue 103
Atom CA of residue 131
Atom CA of residue 21
GLU
MET
Atom OG of residue 504
GLU
VAL
Atom CB of residue 9
Atom CA of residue 324
GLU
MET
THR
Atom N of residue 124
LYS
PRO
Atom CA of residue 132
ILE
LYS
ALA
CYS
Atom CG of residue 93
Atom CA of residue 515
Atom CG1 of residue 455
Atom CA of residue 2679
Atom CB of residue 95
DensityMap5
Atom OH of residue 144
LEU
GLU
Atom CA of residue 85
Atom CG of residue 559
LEU
Atom CA of residue 154
ILE
Atom C of residue 50
Atom NH2 of residue 577
VAL
Atom CA of residue 13
Atom CB of residue 563
Atom CA of residue 491
Atom CE of residue 500
Atom CA of residue 27
Atom CA of residue 35
Atom CD of residue 153
Atom CE3 of residue 103
GLY
VAL
Atom N of residue 535
MET
GLY
Atom CA of residue 61
Atom CA of residue 61
Atom C of residue 23
Atom CA of residue 7
Atom C of residue 435
THR
Atom N of residue 136
Atom CA of residue 100
Atom CA of residue 2647
Atom CA of residue 464
Atom CE1 of residue 20
Atom CA of residue 25
Atom CA of residue 557
Atom CA of residue 471
Atom CA of residue 458
Atom CA of residue 144
Atom OG1 of residue 65
Atom CA of residue 75
Atom CE of residue 121
Atom CB of residue 33
HIS
Atom CB of residue 133
ASN
Atom OG of residue 95
Atom C of residue 122
Atom CA of residue 78
Atom N of residue 145
Atom CA of residue 567
Atom CA of residue 114
Atom CA of residue 50
GLU
Atom CA of residue 2634
Atom O of residue 50
Atom CB of residue 484
Atom CG1 of residue 563
Atom CA of residue 93
SER
Atom CA of residue 24
Atom CA of residue 511
Atom CA of residue 521
LEU
Atom CA of residue 2644
Atom CA of residue 14
VAL
Atom O of residue 23
Atom CB of residue 7
GLU
Atom O of residue 435
Atom CA of residue 285
ALA
ASP
Atom CA of residue 384
Atom CA of residue 21
Atom CA of residue 155
GLY
Atom CA of residue 107
Atom NE1 of residue 53
Atom CA of residue 554
TYR
Atom CA of residue 236
Atom C of residue 23
SER
Atom N of residue 134
Atom N of residue 578
GLY
Atom O of residue 122
Atom CA of residue 540
Atom CA of residue 33
Atom CA of residue 15
Atom CA of residue 2654
PRO
Atom CA of residue 52
Atom CA of residue 126
Atom CE of residue 153
Atom CA of residue 495
Atom N of residue 485
ASP
SER
Atom CA of residue 124
ALA
Atom CA of residue 13
TYR
Atom CA of residue 2682
Atom CB of residue 49
Atom CA of residue 183
Atom CA of residue 82
ALA
Atom CG2 of residue 65
Atom CA of residue 8
VAL
Atom NZ of residue 121
ALA
Atom CB of residue 107
Atom CG of residue 33
ARG
Atom C of residue 105
THR
Atom C of residue 441
Atom O of residue 77
Atom CB of residue 530
HIS
Atom O of residue 23
LYS
Atom CA of residue 84
Atom C of residue 131
Atom CA of residue 125
Atom CA of residue 8
GLN
Atom CA of residue 361
Atom CA of residue 14
PHE
Atom O of residue 20
Atom CB of residue 80
Atom CA of residue 287
ARG
SER
Atom CA of residue 101
LEU
Atom CA of residue 465
Atom CG of residue 49
Atom CA of residue 42
PRO
Atom CA of residue 459
Atom CA of residue 145
SER
Atom CG1 of residue 107
Atom O of residue 105
HIS
Atom N of residue 505
Atom CA of residue 51
GLU
Atom O of residue 441
ASN
LeavesRefiner1
LEU
ARG
Atom CG of residue 530
Atom NE2 of residue 20
Atom NZ of residue 153
Atom O of residue 131
Atom CA of residue 37
MET
ILE
Atom CA of residue 553
SER
Atom C of residue 124
Atom OD1 of residue 93
Atom CZ2 of residue 103
Atom CA of residue 25
Atom CG2 of residue 455
ALA
Atom CB of residue 20
GLY
Atom CG of residue 80
GLN
GLU
Atom C of residue 471
Atom NZ of residue 500
Atom N of residue 66
Atom CD1 of residue 559
Atom CA of residue 325
Atom CA of residue 21
LEU
Atom CD of residue 33
PHE
Atom CA of residue 133
Atom CA of residue 22
ALA
PRO
Atom CA of residue 516
Atom CA of residue 8
Atom CA of residue 578
Atom CA of residue 2680
SER
Atom CA of residue 5
MET
Atom CG2 of residue 5
ARG
Atom CA of residue 70
ILE
PRO
Atom CA of residue 155
Atom N of residue 21
GLN
ASP
Atom CB of residue 569
Atom CA of residue 29
Atom CA of residue 492
GLU
Atom CE2 of residue 53
LYS
ASP
Atom N of residue 51
Atom OD2 of residue 93
Atom CZ3 of residue 103
ARG
Atom N of residue 456
LYS
Atom N of residue 96
Atom C of residue 107
GLN
MET
Atom CA of residue 62
Atom CA of residue 62
Atom O of residue 471
GLN
Atom CA of residue 4
Atom N of residue 122
Atom CD2 of residue 559
GLN
Atom CA of residue 2648
Atom CG2 of residue 563
Atom CA of residue 558
Atom N of residue 24
Atom CB of residue 435
Atom C of residue 52
PRO
ILE
ASN
Atom CA of residue 79
Atom CA of residue 568
Atom CA of residue 115
Atom CA of residue 51
Atom O of residue 124
VAL
Atom CA of residue 535
GLN
Atom CB of residue 122
Atom CE3 of residue 53
PRO
Atom CA of residue 94
Atom CA of residue 2635
Atom CA of residue 136
Atom CA of residue 102
Atom NE of residue 33
Atom CA of residue 466
THR
TYR
Atom CA of residue 512
Atom CA of residue 522
ILE
Atom CA of residue 2645
LEU
Atom O of residue 107
LEU
Atom CA of residue 460
Atom CA of residue 286
Atom CA of residue 385
Atom CA of residue 156
Atom CA of residue 5
Atom C of residue 578
THR
Atom N of residue 564
PHE
Atom CA of residue 555
Atom OG of residue 435
THR
Atom CA of residue 237
Atom O of residue 52
Atom N of residue 154
Atom CA of residue 541
Atom CA of residue 34
Atom CA of residue 54
Atom CA of residue 28
Atom CA of residue 2655
LYS
Atom N of residue 24
Atom CA of residue 127
Atom CA of residue 496
Atom CA of residue 50
Atom CG of residue 122
Atom CA of residue 66
ALA
ASP
GLU
Atom CA of residue 26
ILE
Atom CA of residue 2683
Atom CA of residue 41
Atom CA of residue 184
Atom CA of residue 83
Atom N of residue 6
HIS
LEU
ALA
Atom N of residue 501
Atom CA of residue 71
PHE
Atom CA of residue 85
Atom CB of residue 124
LEU
Atom CB of residue 105
Atom CA of residue 126
Atom CD of residue 49
ASP
Atom N of residue 150
Atom CB of residue 441
Atom CG2 of residue 107
ASP
PHE
Atom CZ of residue 33
PRO
Atom CA of residue 362
DensityMap1070
Atom CB of residue 131
ALA
Atom CA of residue 288
MET
LEU
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
GLN
Atom CA of residue 5
Atom CD of residue 530
Atom CA of residue 122
ALA
Atom O of residue 578
Atom CG of residue 20
Atom CA of residue 43
LEU
ASP
ARG
LYS
Atom CA of residue 134
Atom CD of residue 80
PRO
SER
GLY
ASP
ALA
PRO
Atom CG of residue 105
GLY
Atom CA of residue 485
Atom OE1 of residue 49
Atom CA of residue 505
Atom CG of residue 441
GLU
Atom N of residue 108
VAL
Atom CA of residue 103
Atom CA of residue 554
Atom CA of residue 467
PHE
Atom N of residue 132
ALA
LEU
LYS
Atom CA of residue 9
GLY
Atom CA of residue 145
Atom CA of residue 461
LEU
Atom CE of residue 530
Atom N of residue 436
Atom CA of residue 326
ALA
ALA
Atom N of residue 94
Atom CA of residue 134
Atom CH2 of residue 103
Atom CA of residue 23
LEU
Atom CA of residue 30
Atom CB of residue 471
LEU
Atom N of residue 560
ASP
Atom CA of residue 15
Atom OG of residue 124
Atom CA of residue 154
Atom CA of residue 517
ALA
Atom CA of residue 2681
Atom NE of residue 80
Atom C of residue 535
ALA
LEU
ARG
PRO
Atom C of residue 136
Atom CA of residue 156
Atom CG of residue 62
ASP
Atom CA of residue 51
ALA
Atom CA of residue 51
Atom CA of residue 493
Atom CZ2 of residue 53
Atom C of residue 66
Atom C of residue 122
Atom CB of residue 578
LYS
TRP
GLU
GLU
Atom CA of residue 63
Atom CA of residue 63
Atom CA of residue 24
Atom CA of residue 3
LEU
Atom CA of residue 2649
ILE
Atom N of residue 104
Atom CA of residue 96
Atom CB of residue 107
Atom CA of residue 559
Atom OG of residue 471
LEU
ASN
Atom CA of residue 9
GLN
Atom O of residue 535
THR
Atom CA of residue 80
Atom CA of residue 569
Atom CA of residue 116
LEU
Atom O of residue 136
TRP
Atom NH1 of residue 33
GLU
Atom CA of residue 22
Atom CB of residue 52
THR
Atom CZ3 of residue 53
Atom CA of residue 95
Atom CA of residue 2636
Atom CA of residue 513
Atom CD of residue 20
Atom CA of residue 523
Atom CA of residue 2662
TYR
PHE
ARG
Atom CA of residue 287
TYR
Atom CA of residue 386
Atom N of residue 125
Atom CA of residue 157
Atom C of residue 154
Atom CG1 of residue 107
Atom CD of residue 122
Atom CA of residue 556
Atom CA of residue 238
Atom CA of residue 24
LYS
THR
Atom CA of residue 542
Atom CG of residue 9
Atom CA of residue 35
THR
Atom CA of residue 55
Atom O of residue 122
Atom CA of residue 2656
Atom CA of residue 104
ALA
Atom CA of residue 468
Atom CG of residue 52
Atom CA of residue 128
Atom CG of residue 578
Atom CA of residue 497
Atom CA of residue 462
Atom CB of residue 575
Atom CB of residue 78
LYS
LYS
Atom C of residue 134
Atom CA of residue 456
Atom OE1 of residue 20
Atom CA of residue 2684
Atom CA of residue 42
ASP
ASN
Atom CA of residue 185
Atom CA of residue 84
Atom CA of residue 33
TYR
LEU
VAL
Atom C of residue 485
Atom C of residue 505
Atom OE1 of residue 122
Atom O of residue 66
ALA
ALA
Atom NH2 of residue 33
Atom CA of residue 86
Atom CA of residue 127
ALA
Atom C of residue 145
Atom CA of residue 363
Atom OE2 of residue 49
LYS
Atom CA of residue 289
LEU
GLN
P1
Atom CA of residue 29
MET
THR
ARG
Atom O of residue 154
Atom CD of residue 105
Atom O of residue 134
Atom CA of residue 40
Atom CA of residue 44
Atom CD of residue 441
LEU
Atom CA of residue 501
Atom NZ of residue 530
Atom CA of residue 52
Atom C of residue 51
Atom CA of residue 27
GLU
Atom O of residue 485
Atom O of residue 505
Atom CA of residue 564
PRO
ALA
ILE
Atom CD of residue 9
MapReaderWriter5
Atom CB of residue 122
ARG
LYS
Atom ND1 of residue 578
Atom CZ of residue 80
Atom O of residue 145
Atom C of residue 24
ASP
GLN
TYR
Atom CA of residue 555
SER
Atom CG of residue 78
ILE
LEU
Atom C of residue 96
ILE
Atom CB of residue 567
Atom CA of residue 327
SER
PRO
Atom CA of residue 135
Atom N of residue 106
Atom CA of residue 24
Atom CA of residue 31
Atom N of residue 442
Atom CA of residue 54
ALA
LEU
LEU
Atom N of residue 34
Atom CA of residue 125
Atom O of residue 51
ARG
Atom CA of residue 518
LYS
Atom CA of residue 2682
LEU
Atom CA of residue 68
GLN
THR
Atom CA of residue 105
Atom CA of residue 157
Atom CA of residue 469
PRO
LEU
Atom CB of residue 535
Atom CA of residue 10
Atom CA of residue 494
Atom N of residue 472
Atom O of residue 24
Atom CA of residue 463
Atom CA of residue 34
Atom CB of residue 136
Atom CA of residue 94
Atom CB of residue 154
ASN
LEU
GLU
Atom O of residue 96
ALA
PHE
GLU
Atom CA of residue 64
Atom CA of residue 64
Atom C of residue 7
Atom CH2 of residue 53
Atom CB of residue 66
ILE
Atom CA of residue 560
GLN
Atom CA of residue 2650
Atom C of residue 24
Atom CA of residue 560
Atom CG of residue 122
VAL
Atom CD2 of residue 578
ASP
Atom CA of residue 81
Atom CA of residue 570
Atom CA of residue 117
Atom CD of residue 78
Atom CA of residue 132
Atom C of residue 456
Atom CG of residue 535
GLY
Atom CG2 of residue 107
ALA
Atom CA of residue 96
Atom CA of residue 108
Atom CA of residue 2637
Atom CG of residue 136
Atom CA of residue 41
Atom CA of residue 514
Atom CA of residue 524
HIS
Atom O of residue 7
Atom N of residue 54
Atom CA of residue 19
GLY
Atom CA of residue 288
ARG
Atom CA of residue 387
Atom O of residue 24
LEU
Atom CD of residue 52
Atom CA of residue 10
Atom OE2 of residue 20
Atom N of residue 50
GLY
Atom CA of residue 557
Atom CA of residue 239
PRO
VAL
Atom O of residue 150
VAL
Atom OE2 of residue 122
Atom CA of residue 543
THR
Atom N of residue 531
Atom CA of residue 56
Atom CA of residue 2657
LEU
Atom CA of residue 129
Atom CG of residue 154
Atom CA of residue 498
Atom O of residue 456
PRO
Atom CA of residue 35
Atom N of residue 108
Atom C of residue 501
ALA
LEU
Atom CA of residue 2685
Atom NH1 of residue 80
SER
Atom CA of residue 2647
Atom C of residue 564
Atom CA of residue 186
VAL
Atom OD1 of residue 122
ALA
Atom CA of residue 19
Atom CA of residue 34
Atom N of residue 53
GLY
Atom CB of residue 134
Atom CE1 of residue 578
LYS
ARG
Atom CA of residue 106
PRO
Atom CA of residue 470
Atom CA of residue 87
Atom CB of residue 485
Atom CA of residue 128
Atom CB of residue 505
Atom CG of residue 147
VAL
Atom CA of residue 464
Atom CG of residue 66
ALA
Atom CA of residue 364
Atom CA of residue 290
Atom CB of residue 145
Atom CA of residue 86
PHE
MET
Atom O of residue 501
Atom CA of residue 10
LYS
Atom CG of residue 41
Atom C of residue 125
Atom CA of residue 432
Atom NH2 of residue 80
ALA
Atom O of residue 564
Atom CA of residue 45
LEU
Atom CA of residue 53
Atom CA of residue 30
THR
Atom CA of residue 35
ALA
Atom CG of residue 134
ARG
LEU
SER
LEU
GLN
Atom CA of residue 45
Atom CB of residue 51
Atom C of residue 94
Atom CD of residue 154
Atom CA of residue 28
Atom OG1 of residue 485
Atom OG of residue 505
VAL
Atom C of residue 560
GLU
Atom CA of residue 556
GLY
MET
LYS
Atom CA of residue 29
SER
Atom CG of residue 145
Atom CB of residue 24
Atom OD2 of residue 122
Atom CA of residue 328
THR
Atom C of residue 34
Atom O of residue 125
Atom CA of residue 104
python stream
Atom CA of residue 25
Atom CB of residue 96
Atom CA of residue 32
Atom CA of residue 55
PRO
VAL
Atom CA of residue 36
ALA
VAL
Atom C of residue 132
Atom CA of residue 26
Atom CA of residue 2683
HIS
ASN
SER
ALA
GLY
Atom C of residue 108
PHE
Atom OG1 of residue 51
Atom O of residue 94
ALA
MET
Atom N of residue 21
Atom CA of residue 495
ALA
Atom O of residue 560
Atom CD1 of residue 41
ASN
LEU
Atom N of residue 123
LYS
Atom CA of residue 65
Atom CA of residue 65
Atom CA of residue 472
Atom CG of residue 24
VAL
Atom CA of residue 2651
GLN
Atom NE2 of residue 578
Atom CG1 of residue 96
Atom CD1 of residue 535
Atom CA of residue 561
GLU
Atom OD1 of residue 136
Atom CA of residue 107
Atom CB of residue 24
Atom CA of residue 471
TYR
Atom CE of residue 154
Atom O of residue 132
PRO
Atom CA of residue 82
Atom CA of residue 571
Atom CA of residue 118
Atom CA of residue 465
Atom C of residue 11
Fit restraint scratch map
Atom CD of residue 66
Atom O of residue 108
Model 43
GLU
Atom CA of residue 21
ASP
Atom CA of residue 11
Atom N of residue 123
Atom CA of residue 97
Atom CA of residue 2646
Atom O of residue 34
Atom CB of residue 456
Atom CA of residue 515
Atom CA of residue 525
MET
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
PRO
ILE
Atom C of residue 575
SER
Atom CA of residue 289
MET
Atom CA of residue 388
Atom CA of residue 524
Atom CA of residue 106
ALA
Atom CD2 of residue 535
Atom CA of residue 442
VAL
Atom CA of residue 558
Atom CA of residue 18
Atom CA of residue 240
Atom OD2 of residue 136
Atom CG of residue 24
TRP
Atom CA of residue 127
Atom CA of residue 544
Atom CA of residue 57
Atom CA of residue 2658
ALA
Atom CD2 of residue 41
HIS
Atom CA of residue 16
Atom CA of residue 499
THR
Atom CA of residue 2638
Atom N of residue 579
Atom CG of residue 456
Atom CA of residue 2686
Atom CA of residue 50
Atom N of residue 81
SER
Atom CA of residue 2648
Atom CA of residue 187
VAL
Atom CB of residue 501
LYS
Atom CA of residue 37
ILE
SER
Atom NZ of residue 154
LYS
LYS
Atom CB of residue 564
ASP
THR
Atom CA of residue 531
Atom CA of residue 88
Atom CA of residue 129
ASP
LEU
Atom CA of residue 43
VAL
Atom CB of residue 34
Atom CA of residue 365
Atom C of residue 104
Atom CA of residue 21
Atom CD1 of residue 134
Atom CA of residue 291
Atom CA of residue 87
THR
LEU
LEU
Atom CG2 of residue 485
Atom N of residue 506
LEU
Atom CA of residue 46
ALA
Atom N of residue 502
GLU
Atom CA of residue 108
Atom CA of residue 472
Atom CB of residue 125
LYS
Atom OG1 of residue 564
PHE
Atom CD of residue 145
GLU
GLU
Atom CA of residue 466
Atom CA of residue 46
Atom NE1 of residue 41
ALA
Atom C of residue 472
Atom CA of residue 123
ILE
Atom CA of residue 557
LEU
Atom CB of residue 94
Atom O of residue 104
Atom CD2 of residue 134
SER
ILE
SER
Atom CA of residue 30
Atom CA of residue 108
ALA
Atom CB of residue 560
Atom O of residue 13
Atom CA of residue 329
ASN
PRO
Atom CG2 of residue 51
Atom N of residue 486
SER
Atom CA of residue 33
Atom CA of residue 56
LEU
LEU
LYS
Atom CA of residue 53
Atom CG of residue 125
ASP
Atom CA of residue 26
Atom CA of residue 27
Atom CA of residue 2684
Atom CB of residue 149
Atom OE1 of residue 145
Atom CD1 of residue 24
HIS
VAL
PHE
Atom CG of residue 34
TRP
Atom CB of residue 132
GLN
Atom CG2 of residue 96
Atom CA of residue 496
Atom O of residue 472
Atom CB of residue 108
Atom CG1 of residue 94
Atom C of residue 106
Atom CA of residue 579
GLY
ALA
GLU
Atom C of residue 442
Atom CA of residue 66
Atom CA of residue 54
ASP
Atom CG of residue 560
SER
Atom CA of residue 38
THR
Atom CA of residue 2652
ALA
Atom N of residue 52
ALA
Atom N of residue 155
ARG
Atom CA of residue 562
PRO
PRO
Atom CA of residue 21
Atom N of residue 536
Atom CA of residue 83
Atom CA of residue 572
P2
Atom CA of residue 119
Atom CD2 of residue 24
GLN
Atom C of residue 123
Atom CG of residue 132
Atom C of residue 50
Atom CD1 of residue 96
Atom CA of residue 123
VAL
LYS
Atom CA of residue 98
Atom CD1 of residue 9
Atom CG of residue 108
Atom CD1 of residue 24
SER
Atom O of residue 106
Atom CA of residue 516
Atom CA of residue 526
SER
Atom O of residue 442
Atom CA of residue 67
Atom C of residue 531
Atom CA of residue 290
Atom CA of residue 109
Atom CA of residue 389
Atom CA of residue 513
VAL
Atom CA of residue 15
Atom CA of residue 467
ALA
Atom CA of residue 559
Atom CA of residue 19
Atom CA of residue 2639
Atom CA of residue 241
Atom CD1 of residue 34
Atom CE2 of residue 41
Atom CA of residue 128
Atom CD1 of residue 456
TYR
NullModifier1
LeavesRefiner3
Atom CA of residue 545
Atom CA of residue 58
Atom CA of residue 2659
PRO
ARG
Atom CA of residue 17
Atom C of residue 579
Atom CA of residue 500
Atom O of residue 50
LYS
Atom CA of residue 68
LEU
Atom CD2 of residue 24
LYS
PHE
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/em/test/input/in.mrc
Fit restraint
Atom CA of residue 2687
GLU
Atom CA of residue 2649
Atom CA of residue 188
VAL
Atom CB of residue 6
Atom O of residue 531
ALA
LEU
VAL
Atom CA of residue 28
LEU
Atom O of residue 123
Atom CA of residue 89
Atom CD2 of residue 456
Atom C of residue 108
ALA
PHE
Atom CD1 of residue 34
SER
Atom CA of residue 44
Atom CA of residue 366
Atom CA of residue 292
Atom CG2 of residue 564
Atom CA of residue 88
PRO
GLU
ILE
LYS
Atom C of residue 53
Atom CA of residue 476
Atom CA of residue 155
Atom CB of residue 104
Atom CA of residue 15
Atom CE1 of residue 134
Atom CA of residue 47
PHE
GLU
Atom CG of residue 12
Atom CD2 of residue 34
Atom CE3 of residue 41
Atom CA of residue 525
ARG
VAL
Atom CA of residue 506
HIS
SER
LEU
Atom CA of residue 47
Atom CD2 of residue 9
Atom CA of residue 39
Atom O of residue 579
Atom CA of residue 81
Atom O of residue 108
Atom OE2 of residue 145
Atom C of residue 54
Atom CD2 of residue 34
PHE
Atom CA of residue 558
THR
Atom CD of residue 125
LEU
GLU
Atom CA of residue 31
LEU
Atom N of residue 565
LEU
Atom CB of residue 472
Atom CA of residue 330
Atom CA of residue 110
GLU
Atom O of residue 53
Atom CG of residue 104
PRO
Atom C of residue 21
Atom CA of residue 34
TYR
Atom CA of residue 57
Atom CA of residue 468
LEU
Atom CB of residue 123
GLU
THR
GLU
PRO
Atom CG2 of residue 94
PRO
Atom CA of residue 27
Atom CA of residue 2685
ALA
Atom C of residue 123
MET
GLY
PRO
Atom CD1 of residue 560
CYS
ASP
LYS
Atom CA of residue 497
Atom CA of residue 146
Atom CE1 of residue 24
Atom O of residue 54
Atom NE of residue 125
Atom C of residue 155
LYS
Atom N of residue 97
THR
GLY
Atom CA of residue 67
Atom N of residue 473
Atom CA of residue 502
PHE
Atom CA of residue 2653
Atom N of residue 35
Atom CZ2 of residue 41
LYS
Atom CB of residue 106
Atom CD of residue 132
Atom CA of residue 29
Atom O of residue 21
Atom O of residue 569
Atom CB of residue 442
Atom CA of residue 563
Atom SD of residue 108
SER
Atom CD1 of residue 94
Atom CB of residue 579
Atom O of residue 123
Atom CA of residue 84
Atom CA of residue 573
Atom CA of residue 120
Atom CD1 of residue 12
THR
Atom CD2 of residue 560
SER
ILE
Atom ND2 of residue 40
VAL
Atom CA of residue 99
LYS
Atom CA of residue 517
Atom CA of residue 527
Atom CB of residue 50
LEU
ASN
Atom CA of residue 130
LYS
Atom CG1 of residue 123
Atom CA of residue 291
Atom N of residue 10
Atom N of residue 2
Atom CE1 of residue 24
Atom CA of residue 526
ALA
Atom N of residue 107
Atom OE1 of residue 132
Atom CA of residue 486
Atom CA of residue 536
Atom OG of residue 442
ARG
Atom CA of residue 560
Atom CB of residue 531
Atom CE of residue 108
Atom CA of residue 2640
Atom CA of residue 242
MET
Atom CA of residue 453
Atom CA of residue 129
Atom CE2 of residue 134
Atom CA of residue 546
Atom CA of residue 59
Atom CA of residue 2660
LEU
Atom CA of residue 141
Atom CA of residue 455
Atom O of residue 155
Atom CA of residue 501
TRP
Atom N of residue 457
ALA
ASN
Atom CA of residue 34
Atom CA of residue 111
GLU
Atom CZ3 of residue 41
Atom CA of residue 2688
Atom CG of residue 50
Atom C of residue 506
ILE
Atom CA of residue 2650
Atom N of residue 146
Atom CA of residue 189
GLN
ALA
Atom CA of residue 469
Atom CA of residue 49
THR
Atom ND2 of residue 40
Atom CA of residue 52
ILE
Atom OG of residue 579
ASN
Atom C of residue 81
Atom N of residue 532
ILE
Atom CA of residue 391
Atom CA of residue 90
Atom CZ of residue 134
LEU
Atom CA of residue 367
Atom CA of residue 17
ILE
LYS
Atom CB of residue 108
Atom CA of residue 293
Atom CA of residue 89
Atom N of residue 35
Atom CG2 of residue 123
LEU
Atom CA of residue 35
ALA
Atom O of residue 506
LYS
Atom CA of residue 48
LYS
VAL
Atom CE2 of residue 24
Atom CA of residue 6
Atom CB of residue 53
Atom O of residue 81
PRO
CYS
LEU
GLU
Atom CA of residue 48
LEU
Atom CA of residue 40
ARG
VAL
Atom CB of residue 155
Atom CD of residue 104
Atom CA of residue 34
Atom C of residue 502
LYS
GLN
Atom CA of residue 559
LYS
Atom CH2 of residue 41
PRO
ARG
ASP
Atom CA of residue 476
Atom CA of residue 32
Atom CG of residue 108
ARG
Atom CA of residue 131
VAL
Atom CB of residue 54
GLU
TRP
Atom CA of residue 331
Atom CZ of residue 125
Atom N of residue 580
Atom CA of residue 35
Atom CA of residue 19
Atom CA of residue 18
Atom CZ of residue 24
Atom CA of residue 58
LEU
PRO
PHE
Atom CG of residue 53
Atom CA of residue 28
Atom CA of residue 2686
Atom CB of residue 21
PHE
VAL
Atom N of residue 33
Atom CA of residue 31
MET
Atom CA of residue 72
TYR
Atom CE2 of residue 24
Atom CA of residue 142
Atom CA of residue 456
Atom N of residue 95
Atom NE of residue 104
ALA
ASP
Atom CB of residue 123
Atom CA of residue 498
Atom O of residue 502
Atom N of residue 124
DensityMap918
Atom N of residue 561
Atom CA of residue 112
Atom C of residue 35
Atom CA of residue 70
Atom C of residue 486
LEU
Atom C of residue 536
LYS
ARG
ALA
Atom CA of residue 470
Atom CG of residue 54
Atom CA of residue 50
LEU
GLY
Atom CA of residue 2654
Atom CA of residue 37
Atom CA of residue 11
THR
Atom CA of residue 564
Atom CA of residue 432
GLY
Atom CG of residue 155
Atom OE2 of residue 132
Atom CG of residue 21
Atom CA of residue 85
Atom CA of residue 574
Atom CA of residue 121
Atom N of residue 109
Atom CZ of residue 24
Atom N of residue 42
ASN
ILE
ASN
Atom CA of residue 97
Atom CG of residue 123
GLU
Atom N of residue 443
Atom CA of residue 100
ALA
Atom C of residue 52
Atom CA of residue 19
LEU
Atom CA of residue 518
Atom O of residue 486
Atom CA of residue 528
Atom O of residue 536
Atom CA of residue 565
PRO
Atom CA of residue 292
Atom CA of residue 7
MET
Atom CA of residue 561
ALA
Atom CA of residue 2641
Atom CA of residue 243
VAL
LEU
Atom N of residue 147
Atom OH of residue 134
SER
Atom CD of residue 50
Atom NE2 of residue 578
Atom CA of residue 7
Atom CA of residue 2
Atom CA of residue 547
Atom C of residue 19
Atom CA of residue 60
SER
SER
Atom CA of residue 2661
ILE
LEU
Atom O of residue 35
SER
Atom CA of residue 502
Atom CA of residue 38
PRO
PRO
Atom CA of residue 132
Atom CA of residue 473
VAL
TRP
ILE
PRO
Atom O of residue 52
THR
Atom CA of residue 580
Atom CA of residue 2689
HIS
Atom CA of residue 2651
ASN
Atom CA of residue 190
Atom CA of residue 69
SER
VAL
Atom CA of residue 3
Atom CD1 of residue 155
GLY
GLY
Atom CB of residue 506
ALA
Atom CA of residue 73
Atom CA of residue 143
GLU
Atom CA of residue 91
Atom NH1 of residue 125
Atom CA of residue 457
Atom N of residue 135
Atom CA of residue 457
Atom CA of residue 455
Atom NE of residue 50
Atom CB of residue 81
MET
SER
Atom CA of residue 124
Atom CA of residue 113
Atom CA of residue 368
Atom CA of residue 71
Atom CA of residue 294
Atom CA of residue 90
GLU
Atom CA of residue 471
SER
PRO
Atom CA of residue 36
Atom CA of residue 107
Atom CA of residue 38
Atom CA of residue 49
THR
Atom N of residue 25
Atom OG of residue 506
Atom SD of residue 108
ASN
Atom N of residue 579
SER
ASN
Atom CA of residue 49
DensityMap27
Atom CB of residue 35
Atom CA of residue 42
Atom NH2 of residue 125
LEU
Atom CG of residue 81
Atom CA of residue 35
TYR
Atom CA of residue 560
GLU
Atom CD1 of residue 53
Atom CZ of residue 104
Atom N of residue 133
Atom C of residue 580
ILE
LYS
Atom CA of residue 33
ASP
Atom CB of residue 502
Atom CA of residue 8
Atom CA of residue 332
Atom CA of residue 22
SER
Atom CD2 of residue 155
Atom CA of residue 36
VAL
Atom CA of residue 59
ALA
TYR
Atom CA of residue 532
THR
THR
ASN
GLU
ILE
LEU
Atom CA of residue 37
Atom CA of residue 2687
VAL
Atom C of residue 97
Atom CE of residue 108
ILE
ARG
GLN
Atom CD of residue 54
Atom CA of residue 32
ASN
Atom C of residue 124
Atom O of residue 567
LYS
Atom N of residue 25
SER
PHE
Atom CA of residue 39
Atom C of residue 565
Atom CA of residue 499
Atom CA of residue 133
SER
Atom CD2 of residue 53
VAL
MET
ALA
Atom CD of residue 21
TYR
LEU
LEU
ARG
rigid bodies list
Atom CG of residue 502
ILE
Atom CA of residue 2655
Atom CB of residue 486
Atom CB of residue 536
Atom CD of residue 123
SER
Atom CA of residue 565
Atom CA of residue 26
Atom CA of residue 74
Atom CG of residue 115
LEU
Atom CG of residue 35
Atom CA of residue 144
Atom C of residue 42
THR
Atom CA of residue 458
Atom CA of residue 95
Atom CA of residue 29
Atom CA of residue 456
Atom O of residue 97
Atom CA of residue 86
Atom CA of residue 575
Atom CA of residue 122
Atom C of residue 473
Atom O of residue 19
Atom OE1 of residue 54
Atom CA of residue 561
VAL
Atom CA of residue 72
Atom O of residue 580
Atom O of residue 565
VAL
ALA
Atom CA of residue 472
Atom CA of residue 101
ARG
Atom CE1 of residue 155
Atom CA of residue 37
Atom CA of residue 519
Atom OE1 of residue 21
Atom CA of residue 529
Atom CA of residue 39
ASN
GLY
Atom CA of residue 443
Atom CA of residue 293
Atom CB of residue 52
Atom C of residue 457
Atom CG1 of residue 486
Atom CG of residue 536
Atom N of residue 124
Atom CA of residue 579
Atom CA of residue 132
GLU
Atom CA of residue 562
Atom CA of residue 17
Atom O of residue 124
Atom CA of residue 109
Atom CA of residue 2642
Atom CA of residue 244
GLN
MET
Atom O of residue 473
Atom CA of residue 548
Atom CB of residue 19
Atom CA of residue 61
Atom CA of residue 114
LEU
ARG
Atom C of residue 107
THR
Atom CA of residue 503
Atom CZ of residue 50
Atom CA of residue 9
PHE
Atom CA of residue 561
Atom CA of residue 2690
PHE
Atom CA of residue 2652
Atom CA of residue 191
Atom CA of residue 6
ASP
ASP
ALA
Atom CD of residue 35
TYR
Atom O of residue 42
ALA
Atom CG of residue 52
Atom NH1 of residue 104
Atom O of residue 457
LYS
LEU
Atom CA of residue 66
Atom C of residue 35
Atom CA of residue 14
GLU
Atom CA of residue 92
Atom N of residue 126
PRO
Atom CB of residue 580
TRP
GLN
Atom CA of residue 134
ALA
Atom CA of residue 369
Atom CA of residue 513
Atom CB of residue 150
ALA
ASN
Atom O of residue 107
Atom N of residue 507
Atom CA of residue 295
Atom CA of residue 91
Atom CA of residue 41
Atom C of residue 532
PRO
ALA
Atom CD1 of residue 81
Atom CA of residue 50
Atom C of residue 579
LYS
Atom CA of residue 75
Atom CA of residue 145
Atom CA of residue 459
Atom NH2 of residue 104
Atom CA of residue 457
VAL
PHE
GLU
Atom CA of residue 50
Atom O of residue 35
SER
Atom CA of residue 73
Atom CA of residue 42
Atom N of residue 109
Atom CA of residue 4
TYR
ILE
Atom CA of residue 513
Atom CB of residue 124
LEU
LEU
Atom CA of residue 561
GLN
LEU
Atom N of residue 151
Atom CA of residue 16
Atom CE2 of residue 155
Atom CA of residue 38
Atom CA of residue 150
ASP
VAL
PHE
MET
GLU
Atom O of residue 532
Atom CA of residue 333
Atom CA of residue 23
Atom OE1 of residue 35
Atom CB of residue 42
Atom NE1 of residue 53
Atom C of residue 95
Atom CD2 of residue 81
Atom CA of residue 53
Atom CA of residue 60
PHE
ARG
Atom C of residue 561
ALA
LYS
TRP
Atom CG of residue 580
Atom CA of residue 2688
GLN
Atom CD1 of residue 502
Atom CA of residue 33
SER
LEU
Atom CA of residue 133
ASN
Atom CB of residue 97
SER
Atom CA of residue 500
Atom C of residue 443
Atom CA of residue 133
Atom CA of residue 25
LEU
Atom OE2 of residue 54
Atom CA of residue 10
Atom CA of residue 9
Atom CA of residue 30
LEU
LYS
Atom CB of residue 565
Atom O of residue 579
ALA
NullModifier3
VAL
Atom C of residue 109
ASN
Atom CA of residue 2656
GLU
Atom O of residue 77
GLN
Atom O of residue 95
Atom OE2 of residue 21
ILE
Atom NH1 of residue 50
GLN
Atom CA of residue 566
Atom CA of residue 15
Atom O of residue 561
VAL
PRO
GLU
ASN
Atom CA of residue 87
Atom CA of residue 135
Atom CA of residue 576
Atom CA of residue 123
Atom CD2 of residue 502
GLN
Atom CZ of residue 155
LEU
Atom CG2 of residue 486
Atom CA of residue 43
Atom CG of residue 97
Atom CD1 of residue 536
TYR
ASP
Atom O of residue 443
Atom CB of residue 473
Atom CG of residue 19
Atom C of residue 77
Atom CA of residue 102
Model 45
Atom OE2 of residue 35
Atom CA of residue 135
Atom CA of residue 520
Atom CA of residue 530
Atom CA of residue 40
Atom CG of residue 565
GLY
Atom CA of residue 294
Atom O of residue 109
Atom CA of residue 25
Atom CA of residue 146
Atom CG of residue 42
Atom CA of residue 460
Atom CD1 of residue 580
Atom CA of residue 458
Atom NH2 of residue 50
LYS
ARG
Atom CA of residue 563
Atom OG of residue 124
Atom CA of residue 2643
Atom CA of residue 245
em module unit tests succeeded
build/include/IMP/saxs/Restraint.h: In member function 'virtual IMP::ScoringFunction* IMP::saxs::Restraint::create_scoring_function(double, double) const':
build/include/IMP/saxs/Restraint.h:57: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::saxs::Restraint]' being inlined
build/include/IMP/saxs/RadiusOfGyrationRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::saxs::RadiusOfGyrationRestraint::create_scoring_function(double, double) const':
build/include/IMP/saxs/RadiusOfGyrationRestraint.h:37: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::saxs::RadiusOfGyrationRestraint]' being inlined
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/saxs/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/examples/profile.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/examples/profile_fit.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/examples/fast-test.results.out) > /dev/null
Run example profile.py ... in 4.185s ... ok
Run example profile_fit.py ... in 6.718s ... ok
----------------------------------------------------------------------
Ran 2 tests in 10.905s
OK
saxs examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/saxs/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.saxs --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/test/test_saxs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/saxs/test/test_surface.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_saxs_standards.py >/private/tmp/nightly-build-17099/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 ... in 1.653s ... ok
Check the surface area handle points on boundary ... in 7.758s ... ok
Check protein surface computation ... in 7.056s ... 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 19.417s
OK
saxs module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/gsl/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/examples/simplex.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/examples/fast-test.results.out) > /dev/null
Run example simplex.py ... ok
----------------------------------------------------------------------
Ran 1 test in 0.773s
OK
gsl examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/gsl/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.gsl --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/test/test_cg_optimizer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/test/test_qn_minimizer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/gsl/test/test_simplex_minimizer.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_gsl_standards.py >/private/tmp/nightly-build-17099/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 1.746s
OK
gsl module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/modeller/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/examples/imp_restraints_in_modeller.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/examples/load_modeller_model.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/examples/modeller_restraints_in_imp.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/examples/fast-test.results.out) > /dev/null
Run example imp_restraints_in_modeller.py ... in 3.909s ... ok
Run example load_modeller_model.py ... ok
Run example modeller_restraints_in_imp.py ... ok
----------------------------------------------------------------------
Ran 3 tests in 5.516s
OK
Exception exceptions.AttributeError: "'NoneType' object has no attribute 'mod_model_free'" in ignored
Exception exceptions.AttributeError: "'NoneType' object has no attribute 'mod_io_data_free'" in > ignored
Exception exceptions.AttributeError: "'NoneType' object has no attribute 'mod_libraries_free'" in > ignored
modeller examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/modeller/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.modeller --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/test_dynamic_restraints.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/test_imp_restraints.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/test_load_model_atoms.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/test_modeller_restraints.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/test_rsr_file_read.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_modeller_standards.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/modeller/test/fast-test.results.out) > /dev/null
Check loading of Modeller electrostatic restraints ... in 1.148s ... 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 3.213s ... ok
Check reading a dna with one chain ... in 1.565s ... ok
Check reading a Modeller model with one protein ... in 1.992s ... ok
Check using Modeller restraints in IMP ... ok
Check angle restraints against Modeller ... in 1.165s ... ok
Check bond restraints against Modeller ... in 1.003s ... ok
Check dihedral restraints against Modeller ... in 1.088s ... ok
Check improper restraints against Modeller ... in 1.003s ... ok
Check loading of Modeller static restraints ... in 1.010s ... ok
Check reading of arbitrary Modeller restraint files ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok
----------------------------------------------------------------------
Ran 18 tests in 18.663s
OK
modeller module unit tests succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/restrainer/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/nup84_complex_in_bead_representation.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/basic_setup.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/rigid_body_and_excluded_volume_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/em_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/saxs_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/basic_display.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/examples/fast-test.results.out) > /dev/null
Run example nup84_complex_in_bead_representation.py ... in 3.269s ... 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 ... in 1.186s ... ok
Run example basic_display.py ... ok
----------------------------------------------------------------------
Ran 6 tests in 5.896s
OK
restrainer examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/restrainer/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.restrainer --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_sphere.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_sphere.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_display.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_distance_for_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_distance_for_sphere.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_em.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_get_rigid_body.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_methods_for_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_methods_for_sphere.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_representation_mix.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_representation_pdb.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_representation_sphere.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_saxs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_molecules.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_rigid_bodies.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_simple_diameter.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_simple_distance.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_simple_em_fit.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/test_simple_excluded_volume.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_restrainer_standards.py >/private/tmp/nightly-build-17099/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 5.283s ... ok
Check connectivity restraint for sphere ... ok
Check diameter restraint for pdb ... in 2.534s ... ok
Check diameter restraint for sphere ... ok
Check display ... ok
Check distance restraint for pdb ... in 1.535s ... ok
Check distance restraint for sphere ... ok
Check EM restraint ... ok
Check get_rigid_body_by_id and get_all_rigid_bodies methods ... in 3.891s ... ok
Check multiple input restraints for pdb ... in 6.401s ... 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 ... in 1.783s ... 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 25.531s
OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
LEU
NullModifier1
Atom CD of residue 5
Atom NH2 of residue 5
GLY
Chain A
Atom CB of residue 99
Atom N of residue 5
Atom CG of residue 74
Atom C of residue 3
rigid bodies list
Atom CE1 of residue 3
P177 RigidBodyHierarchy 1
connectivity list
Atom N of residue 66
Atom CB of residue 41
Atom CB of residue 81
Chain A
Atom C of residue 122
Atom CZ of residue 23
Atom O of residue 4
Atom CG1 of residue 2
Atom CB of residue 2
Atom OD1 of residue 113
Atom N of residue 69
Atom CE of residue 1
PHE
LYS
Atom CA of residue 4
Atom NE2 of residue 57
Chain A
Atom CE1 of residue 3
P8
Atom CG of residue 7
Atom N of residue 2
AccumulateRigidBodyDerivatives13
Atom C of residue 1
P6
Atom CA of residue 50
ALA
Atom N of residue 113
Atom CE1 of residue 34
Atom CA of residue 57
Atom SG of residue 76
Atom CG of residue 48
LEU
SAXS restraint
Atom CA of residue 13
P354
Atom NZ of residue 1
Atom CG of residue 1
ARG
Atom NH1 of residue 5
Atom CA of residue 65
Atom CG1 of residue 99
Atom C of residue 115
Atom CE1 of residue 3
Atom NE of residue 73
Atom CA of residue 17
Atom O of residue 1
Atom CG2 of residue 118
Atom N of residue 94
ASP
Atom CE1 of residue 20
Atom CG of residue 41
Atom OG of residue 81
Atom CE1 of residue 23
Atom CD2 of residue 3
Atom O of residue 122
Atom N of residue 1
simple_input.pdb
Atom CB of residue 112
ARG
Atom CB of residue 125
ListSingletonContainer7
Atom ND2 of residue 113
Atom C of residue 3
UpdateRigidBodyMembers23
simple_input.pdb
Atom C of residue 45
Atom C of residue 68
Atom CB of residue 84
Atom CB of residue 2
NullModifier7
Atom O of residue 1
Atom CB of residue 17
Atom CZ of residue 5
Atom N of residue 14
Atom CB of residue 19
Atom CB of residue 3
ASN
TRP
Atom CG of residue 5
Atom N of residue 4
Atom CA of residue 35
P1
Atom CE2 of residue 53
Atom O of residue 1
Atom C of residue 5
Atom CD of residue 1
Atom O of residue 1
Atom N of residue 102
Atom CB of residue 3
Atom N of residue 4
Atom N of residue 23
Atom O of residue 115
Atom CD of residue 7
Atom CA of residue 46
Atom OD1 of residue 77
Atom CB of residue 1
Atom N of residue 119
Atom CB of residue 5
CYS
Atom C of residue 2
Atom NZ of residue 97
Chain A
Atom CG of residue 112
Atom C of residue 117
Atom CE2 of residue 3
Atom CG of residue 125
Atom CA of residue 4
Atom N of residue 28
TRP
Atom O of residue 3
Atom O of residue 1
Atom CD of residue 112
P1136
Atom O of residue 45
AccumulateRigidBodyDerivatives31
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/input/data/in.mrc
ALA
Atom N of residue 5
P303 RigidBodyHierarchy 0
Atom C of residue 61
Atom CA of residue 2
LYS
Atom CG1 of residue 2
Atom CG of residue 84
Atom CG1 of residue 2
Atom N of residue 35
Atom CA of residue 2
Atom O of residue 3
Atom CB of residue 41
Atom CG of residue 17
Atom OG of residue 91
P304
Atom CD1 of residue 53
ListSingletonContainer16
ARG
RigidCPF
Atom CG of residue 3
Atom NE1 of residue 28
Model 9
Atom CA of residue 104
Atom CZ of residue 53
Atom C of residue 60
Atom CA of residue 5
Atom C of residue 5
Atom N of residue 31
Atom CA of residue 11
Atom C of residue 109
Atom CE1 of residue 3
LeavesRefiner2
Chain A
Atom CA of residue 83
Atom CG of residue 3
Atom CE2 of residue 3
TYR
Atom CD2 of residue 8
Atom NH2 of residue 5
Atom ND2 of residue 77
Atom C of residue 12
Atom N of residue 86
Atom O of residue 117
Atom CZ of residue 3
Atom CE2 of residue 3
TRP
Atom CD of residue 125
Atom NE1 of residue 62
Atom NZ of residue 1
Atom CA of residue 106
Atom CB of residue 1
Atom NE of residue 112
Atom O of residue 4
Atom O of residue 61
Atom CD1 of residue 38
GLU
Atom CG of residue 41
Atom N of residue 1
Atom CZ of residue 73
Atom CD2 of residue 53
Atom N of residue 1
Atom O of residue 35
Atom N of residue 58
P125
Atom O of residue 60
Atom OD1 of residue 101
6lyz.pdb
LYS
Atom CG2 of residue 89
Atom O of residue 5
Atom N of residue 4
ALA
Atom C of residue 11
P1
Atom CA of residue 2
Atom CE2 of residue 20
Atom O of residue 109
Atom C of residue 4
Atom CA of residue 123
Atom CE2 of residue 34
Atom OH of residue 23
Atom CZ of residue 3
simple_input.pdb
P176
Atom CB of residue 1
Atom C of residue 50
simple_input.pdb
Atom C of residue 57
GLY
SER
P176
Atom OD1 of residue 74
Atom C of residue 13
Atom O of residue 69
Atom NE of residue 125
Atom O of residue 67
Atom NH2 of residue 68
Atom O of residue 5
Atom N of residue 1
Atom C of residue 65
Atom CE of residue 1
Atom CE2 of residue 23
Atom N of residue 1
Atom N of residue 2
GLY
P74 rigid body positions
Atom C of residue 17
P74 rigid body positions
Atom O of residue 2
Atom CA of residue 67
P176
LeavesRefiner5
ILE
UpdateRigidBodyMembers20
P355
ConjugateGradients
RestraintSet 24
ARG
Atom OD2 of residue 101
Atom CD of residue 1
Atom CB of residue 3
Chain A
Atom N of residue 90
Atom NH1 of residue 5
GLY
Atom N of residue 2
Atom CZ of residue 34
Atom N of residue 77
Atom OD1 of residue 48
Atom N of residue 24
Model 8
simple_input.pdb
Chain A rigid body positions
Atom CA of residue 3
Atom CA of residue 129
Atom CG of residue 1
Atom O of residue 50
Atom O of residue 57
Atom CB of residue 122
Atom ND2 of residue 19
Atom CG2 of residue 99
Atom CE1 of residue 20
Atom ND2 of residue 74
Atom N of residue 2
Atom O of residue 13
Atom N of residue 114
Atom CB of residue 69
input.pdb rigid body positions
Atom CB of residue 5
Atom N of residue 92
simple_input.pdb
Atom N of residue 8
Chain A
Atom O of residue 65
Atom CD of residue 41
Atom N of residue 82
Atom CZ of residue 23
Atom N of residue 98
LYS
Atom CA of residue 89
Atom N of residue 1
Atom C of residue 46
Atom N of residue 9
Atom CB of residue 3
Atom CA of residue 54
Atom O of residue 17
Atom CA of residue 66
Atom CE2 of residue 3
Atom O of residue 12
P74 rigid body positions
Atom CE of residue 1
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Atom NH2 of residue 5
Atom CZ of residue 20
Atom CG of residue 1
ASN
GLY
simple_input.pdb
Atom OD2 of residue 48
Atom C of residue 2
Atom CB of residue 115
Atom CG of residue 1
ASP
Atom C of residue 104
RigidCPF
Atom N of residue 123
Atom N of residue 100
VAL
Atom CG of residue 1
ARG
Atom C of residue 5
PairScore 5
VAL
Atom C of residue 5
P0
Atom CB of residue 45
Atom OE1 of residue 41
Atom O of residue 4
ALA
ILE
DistancePairScore 6
Atom OH of residue 53
Atom C of residue 83
Atom CD of residue 112
VAL
Atom CB of residue 2
Atom CD of residue 125
Atom CG2 of residue 2
Atom CH2 of residue 123
Atom CA of residue 23
Atom O of residue 46
ALA
Atom CE2 of residue 62
Atom CG of residue 3
Atom CB of residue 5
LEU
Atom CA of residue 94
Atom O of residue 5
Atom CD1 of residue 3
Atom N of residue 27
Atom CD2 of residue 3
Chain A rigid body positions
Atom CA of residue 5
Atom CD1 of residue 84
Chain A
simple_input.pdb
Atom CB of residue 35
Atom CA of residue 63
Atom CD1 of residue 17
Atom N of residue 2
Atom C of residue 106
Atom C of residue 3
Atom CB of residue 2
Atom CA of residue 113
Atom NZ of residue 1
Atom N of residue 20
Atom CD1 of residue 3
Fit restraint scratch map
Atom CB of residue 1
Atom SG of residue 115
UpdateRigidBodyMembers14
P19
Atom NH1 of residue 73
Atom N of residue 78
ExcludedVolumeRestraint8
GridCPF
Atom O of residue 104
P4 RigidBodyHierarchy 0
ModelScoringFunction5
Atom N of residue 118
Atom CE2 of residue 3
KClosePairsPairScore 5
ARG
FixedRefiner5
Atom CB of residue 109
Atom CG of residue 45
Atom N of residue 5
Atom C of residue 123
Atom CZ of residue 3
Atom N of residue 54
Atom O of residue 83
Atom NE of residue 112
P251
Atom CB of residue 61
Atom NE of residue 125
Atom N of residue 3
Atom N of residue 4
Atom CE3 of residue 62
Atom CG of residue 5
Atom CG of residue 5
Atom CE1 of residue 53
Atom CD2 of residue 3
VAL
Atom CA of residue 1
Atom CA of residue 4
simple_input.pdb
Model 3
Atom CB of residue 60
Atom CD2 of residue 84
Atom C of residue 36
Atom N of residue 4
GLY
Atom CA of residue 28
Atom CD of residue 41
Atom CD2 of residue 17
Atom O of residue 106
Atom CA of residue 31
Atom CZ2 of residue 108
Atom CG1 of residue 2
Atom CB of residue 109
Atom CD2 of residue 3
Atom N of residue 1
Atom CA of residue 4
LYS
Atom C of residue 10
P20
ILE
Atom CB of residue 5
Atom C of residue 5
Atom CG1 of residue 2
Atom CA of residue 86
THR
Atom CE2 of residue 20
Atom CZ of residue 125
P3
Atom N of residue 5
Atom CG of residue 1
UpdateRigidBodyMembers19
SingletonModifier 5
Atom CG1 of residue 109
Atom OH of residue 20
Atom O of residue 123
Atom N of residue 5
UnaryFunction22
Atom CG of residue 61
Atom O of residue 2
AccumulateRigidBodyDerivatives16
Atom CZ of residue 3
Atom C of residue 129
Atom CB of residue 68
Atom N of residue 5
Atom N of residue 35
P4 rigid body positions
Atom OG of residue 60
Atom N of residue 102
Atom N of residue 124
Atom CA of residue 5
ALA
Atom OE1 of residue 41
Atom O of residue 5
Atom CD of residue 1
Atom CA of residue 119
Fit restraint
NormalizeRotation0
P16
Atom CG1 of residue 109
Atom CA of residue 102
SER
Atom CG of residue 5
Atom C of residue 89
Atom O of residue 2
P16
Atom CD of residue 1
Atom NH2 of residue 73
Atom C of residue 54
P175
Atom CB of residue 50
Atom C of residue 66
ListSingletonContainer14
Atom CA of residue 58
Atom OH of residue 23
Atom N of residue 4
Atom CB of residue 57
P0
Atom N of residue 11
Chain A RigidBodyHierarchy 9
P1 rigid body positions
Atom N of residue 75
Atom CB of residue 13
P2
ARG
Atom O of residue 3
Atom CB of residue 65
Atom N of residue 1
Atom CA of residue 2
SoftSpherePairScore 0
Atom O of residue 2
Chain A
Atom CA of residue 2
Atom CA of residue 1
P51
ListSingletonContainer2
Atom N of residue 74
AccumulateRigidBodyDerivatives24
Atom CA of residue 10
Atom O of residue 129
Atom CB of residue 17
Atom CA of residue 8
ARG
GridCPF
simple_input.pdb
GLU
Atom N of residue 3
PHE
GLY
Atom CE of residue 1
ILE
ARG
Atom NZ of residue 1
Atom CD1 of residue 3
Atom N of residue 4
RigidCPF
Atom CD of residue 5
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom CE of residue 1
Atom CA of residue 77
LYS
Atom N of residue 49
P253
Atom O of residue 89
Atom C of residue 23
Atom CB of residue 2
P175
P18
Atom CE of residue 1
Atom O of residue 54
Atom C of residue 94
Atom OG of residue 50
Atom O of residue 66
P10
Atom N of residue 24
GLY
Atom CG of residue 57
P2
Atom C of residue 102
LYS
SER
Atom C of residue 5
Atom CZ of residue 20
LEU
Atom CG of residue 13
GLY
PHE
Atom C of residue 63
Atom CE1 of residue 3
P6
Atom CA of residue 92
AccumulateRigidBodyDerivatives37
Atom CG of residue 5
Atom C of residue 113
Atom CG of residue 65
ASN
Atom N of residue 2
Atom NE2 of residue 41
Atom CA of residue 82
TRP
Atom O of residue 2
Atom CB of residue 46
Atom CD of residue 1
Atom CG of residue 17
Atom NZ of residue 1
UnaryFunction21
SoftSpherePairScore 8
ConnectivityRestraint 6
ExcludedVolumeRestraint6
ARG
Atom CB of residue 2
PHE
RestraintSet 0
Atom CA of residue 114
Atom N of residue 1
Atom CD2 of residue 3
GLY
Atom CD1 of residue 3
Atom CE2 of residue 53
Atom N of residue 21
ARG
UpdateRigidBodyMembers11
Atom CA of residue 98
TupleRestraint 6
GLY
Atom O of residue 23
Atom CG1 of residue 2
Atom N of residue 4
Atom CB of residue 5
Atom O of residue 94
P11
Atom CA of residue 4
Atom C of residue 4
UpdateRigidBodyMembers8
Chain A
Atom CB of residue 2
Atom CG2 of residue 2
Atom C of residue 28
Atom N of residue 116
P74 RigidBodyHierarchy 1
Atom O of residue 63
Atom CZ2 of residue 62
P7
Atom C of residue 31
Atom O of residue 113
GLY
LYS
Atom CB of residue 83
Atom CZ of residue 112
Atom CZ of residue 125
Atom C of residue 4
Atom NZ of residue 1
Atom CA of residue 90
Atom CG of residue 46
P10
Atom NH1 of residue 125
Atom NE of residue 5
Atom CD of residue 5
ListSingletonContainer19
Atom CB of residue 3
Atom CE1 of residue 3
Atom CD of residue 45
Atom CA of residue 5
AccumulateRigidBodyDerivatives11
Atom OE2 of residue 35
Atom C of residue 86
Atom CG1 of residue 2
Atom CD of residue 5
Atom CA of residue 75
Atom N of residue 85
P1 RigidBodyHierarchy 4
Atom CD2 of residue 3
Atom N of residue 18
Atom CB of residue 106
Atom CZ of residue 53
Atom CZ3 of residue 108
Atom CG2 of residue 2
Chain A
Atom CE1 of residue 3
P303
ASN
Atom CA of residue 1
Atom CG of residue 5
Atom C of residue 69
P12
Atom CE1 of residue 3
Atom CG of residue 1
Atom O of residue 28
LYS
Atom CA of residue 9
Atom CZ3 of residue 62
Atom NZ of residue 1
P8
P253 rigid body positions
Atom CE of residue 1
AccumulateRigidBodyDerivatives20
Atom O of residue 31
Atom C of residue 119
Atom CA of residue 27
VAL
Model 24
simple_input.pdb
UpdateRigidBodyMembers13
SER
Atom CG of residue 83
Atom CE1 of residue 3
RestraintSet 1
Atom CD of residue 1
P16
Atom CD2 of residue 3
P11
Atom NH2 of residue 125
Atom CA of residue 2
Atom CA of residue 78
Atom NE of residue 5
Atom CG of residue 3
Atom CG2 of residue 109
Atom CD of residue 5
LYS
Atom NE of residue 45
Atom C of residue 58
Atom CA of residue 123
P8 rigid body positions
Atom CA of residue 5
Chain A RigidBodyHierarchy 14
SampledDensityMap2
Atom O of residue 86
Atom O of residue 5
Atom CD of residue 61
Atom OH of residue 20
Atom NE of residue 5
Atom CG of residue 1
SER
GLY
P51 RigidBodyHierarchy 3
Atom NE2 of residue 41
ASP
Atom CG of residue 106
Atom CH2 of residue 108
Atom N of residue 3
Atom CB of residue 5
Atom CA of residue 5
simple_input.pdb
Atom CA of residue 24
Atom C of residue 2
Atom CA of residue 100
Atom N of residue 61
Atom C of residue 4
Atom N of residue 2
Atom CG of residue 3
Atom C of residue 8
P13
Atom CG2 of residue 109
Atom C of residue 36
Atom C of residue 4
Atom CG of residue 3
Atom CZ of residue 5
Atom N of residue 5
P17
Atom N of residue 2
Atom O of residue 119
ARG
Atom CA of residue 36
VAL
Atom CE of residue 1
Atom CD1 of residue 3
Atom CB of residue 129
P12
Atom N of residue 110
Atom N of residue 42
Atom O of residue 58
Atom O of residue 4
Atom CG2 of residue 2
Atom NE of residue 61
rigid bodies list
Atom CA of residue 4
P15
Atom NE of residue 68
Atom C of residue 92
Atom CB of residue 1
Atom NZ of residue 1
Atom C of residue 82
Atom CB of residue 5
ARG
Atom CA of residue 3
Atom CB of residue 89
Atom O of residue 4
Atom CA of residue 1
Atom CD2 of residue 38
Atom NZ of residue 1
Atom N of residue 55
Atom CA of residue 1
normalize rigid bodies
Atom CB of residue 66
P14
Atom CG of residue 5
Atom N of residue 110
Frag2
SER
Atom N of residue 4
Atom O of residue 1
Atom CA of residue 102
P13
Atom N of residue 2
Atom C of residue 114
Atom CE1 of residue 3
Chain A RigidBodyHierarchy 1
P19
VAL
Atom N of residue 51
Atom NE of residue 5
Atom CD of residue 1
Atom CD of residue 57
Atom CB of residue 3
Atom C of residue 98
Atom CG of residue 68
Atom CA of residue 1
Atom CD of residue 13
Atom CA of residue 3
Atom CG of residue 129
P13
Atom OD1 of residue 65
ALA
Atom NH1 of residue 112
Atom CA of residue 3
Atom CB of residue 1
Atom NH1 of residue 125
Atom CE1 of residue 3
Atom O of residue 92
Atom CD1 of residue 17
Atom C of residue 4
Atom CE2 of residue 3
Atom O of residue 82
Atom CA of residue 126
Atom CB of residue 5
Atom C of residue 75
Atom CD of residue 1
Atom OG1 of residue 89
Atom CA of residue 74
Atom O of residue 13
Atom C of residue 90
Chain A
Atom N of residue 4
ILE
rigid bodies list
Atom CB of residue 94
Atom CG of residue 66
PHE
P15
Atom C of residue 5
P253
Atom CB of residue 2
Atom CE2 of residue 3
Atom N of residue 21
GLY
Atom O of residue 3
Atom NZ of residue 1
VAL
Atom O of residue 114
Atom O of residue 4
VAL
Atom CB of residue 63
PHE
P20
Atom CA of residue 2
PairScore 6
THR
rigid bodies list
Atom OE1 of residue 57
Atom CG2 of residue 78
PHE
Atom O of residue 98
Atom CA of residue 49
Atom N of residue 3
Atom O of residue 2
Atom CE of residue 13
Atom CA of residue 124
P14
Atom CA of residue 119
Atom OH of residue 53
Atom O of residue 8
Atom ND2 of residue 65
Atom C of residue 70
Atom O of residue 20
Atom CB of residue 96
Atom NH2 of residue 112
Atom CG2 of residue 2
Atom NH2 of residue 125
P0
Atom CA of residue 4
Chain A rigid body positions
Atom CE1 of residue 3
Atom C of residue 1
Atom CD2 of residue 17
Atom CZ of residue 3
UpdateRigidBodyMembers22
Atom C of residue 27
AccumulateRigidBodyDerivatives23
SoftSpherePairScore 6
Atom N of residue 5
P0
Model 10
Atom CG of residue 5
UpdateRigidBodyMembers6
Atom CB of residue 13
Atom CB of residue 2
Atom O of residue 90
Atom CA of residue 5
Atom N of residue 42
Atom CD of residue 5
GLY
Atom NH1 of residue 5
Atom C of residue 78
Atom SG of residue 94
Atom CZ of residue 5
P28
Atom C of residue 123
P303
Atom C of residue 5
Atom CZ of residue 3
Atom N of residue 5
Atom CB of residue 28
Atom CA of residue 116
Atom CA of residue 4
Atom CG of residue 63
Atom N of residue 126
Atom CH2 of residue 62
Atom CA of residue 19
P33
Atom CB of residue 31
KClosePairsPairScore 6
PHE
Atom C of residue 24
Atom C of residue 100
Atom OD1 of residue 46
P15
Atom CG of residue 1
Atom CZ of residue 5
Atom N of residue 54
Atom CD1 of residue 3
Atom CZ of residue 45
AccumulateRigidBodyDerivatives22
Atom CA of residue 21
Atom CD of residue 5
P11
Atom CG of residue 96
Atom C of residue 2
Atom CB of residue 86
normalize rigid bodies
Atom N of residue 3
Atom CZ of residue 5
P125
Atom CA of residue 4
Atom O of residue 1
Atom CE1 of residue 38
Atom C of residue 1
Atom N of residue 109
P2
Atom O of residue 27
Atom CE2 of residue 3
Atom OE2 of residue 35
Atom CE of residue 1
Atom CD of residue 1
Atom CA of residue 32
Atom CD1 of residue 3
Atom N of residue 1
Atom CA of residue 2
Atom CA of residue 1
ALA
Atom NE of residue 5
Atom OD1 of residue 106
Atom CA of residue 2
Atom O of residue 78
Atom N of residue 2
Atom C of residue 2
P29
Atom N of residue 108
Atom O of residue 123
Atom C of residue 1
Atom CE2 of residue 3
Atom CD1 of residue 38
Atom CA of residue 85
P1
Atom C of residue 4
Atom CG of residue 28
Atom C of residue 3
GLY
Atom N of residue 63
Atom CA of residue 18
P34
Atom N of residue 32
Atom CB of residue 119
P0
Atom O of residue 70
Atom CB of residue 20
Atom CA of residue 3
Atom O of residue 24
Atom O of residue 100
P125 RigidBodyHierarchy 1
Atom CA of residue 3
Atom C of residue 3
Atom CB of residue 114
Atom N of residue 5
Atom CE of residue 1
Atom ND2 of residue 46
P28
P304
LeavesRefiner1
Atom CD2 of residue 3
ALA
Atom CD of residue 68
P251
Atom O of residue 5
Atom CB of residue 58
Atom CB of residue 2
Atom OG of residue 86
Atom CZ of residue 61
ARG
Atom O of residue 4
Atom C of residue 102
Atom CB of residue 1
Atom NH2 of residue 5
VAL
Atom CB of residue 8
Atom CA of residue 6
Atom CE of residue 1
Atom CA of residue 61
Atom N of residue 2
Atom CE2 of residue 3
Atom ND2 of residue 106
Atom O of residue 2
Model 22
P30
TRP
ALA
Atom CA of residue 24
ARG
Atom CA of residue 2
Atom O of residue 3
P9
Atom CG of residue 119
P2
Atom C of residue 126
Atom C of residue 74
ARG
GLY
P29
P251
Atom CA of residue 55
Atom C of residue 5
Atom CG1 of residue 58
P251
Atom O of residue 5
Atom CA of residue 1
Atom CG1 of residue 2
Atom O of residue 1
Atom N of residue 68
Atom N of residue 5
Atom O of residue 102
AccumulateRigidBodyDerivatives25
Atom CG1 of residue 2
Atom CD1 of residue 129
LYS
GLY
Atom CB of residue 92
Atom NH1 of residue 5
Atom CB of residue 5
Atom CB of residue 82
Atom C of residue 49
P1
PHE
Atom CB of residue 3
Atom CA of residue 3
Atom C of residue 124
Atom CZ of residue 3
P1
Atom CA of residue 5
Atom CE2 of residue 3
Atom C of residue 119
Atom CB of residue 2
UnaryFunction1
P31
Atom CA of residue 42
simple_input.pdb
Atom CB of residue 70
Atom CG of residue 20
Atom CG2 of residue 89
Atom CB of residue 3
Atom N of residue 3
P5
Atom CD of residue 1
Atom O of residue 1
Atom CA of residue 51
Atom OD1 of residue 66
Atom CA of residue 3
P3
Atom NZ of residue 1
Atom NE2 of residue 57
Atom CD1 of residue 78
Atom CB of residue 98
Atom O of residue 126
Atom N of residue 113
AccumulateRigidBodyDerivatives6
Atom N of residue 126
Atom CZ of residue 14
pdb_log_000.py
Atom O of residue 74
Atom N of residue 5
UnaryFunction5
P30
LYS
Atom O of residue 5
UpdateRigidBodyMembers3
Atom N of residue 4
Atom N of residue 66
Atom CZ of residue 3
P12
Atom NZ of residue 1
Atom O of residue 1
Atom C of residue 3
Atom C of residue 1
Atom NH1 of residue 68
ARG
Chain A
Atom O of residue 4
Atom CG of residue 13
Atom C of residue 116
Atom C of residue 4
Atom CD2 of residue 129
Atom CG1 of residue 92
Atom N of residue 18
Atom NH1 of residue 5
P74 RigidBodyHierarchy 3
Atom NH1 of residue 45
P303
Atom N of residue 83
UnaryFunction9
Atom O of residue 49
P3
Atom N of residue 4
Atom N of residue 4
Atom NH1 of residue 5
Atom CZ of residue 3
Atom NZ of residue 1
Atom CB of residue 90
Atom N of residue 115
Atom N of residue 1
P8 RigidBodyHierarchy 1
Atom CZ of residue 3
Atom O of residue 119
Chain A
Atom CG of residue 8
P18
Atom C of residue 21
Atom CA of residue 5
Atom N of residue 90
Atom C of residue 2
PHE
P3
Atom CE2 of residue 38
Atom CE of residue 1
Atom N of residue 95
Atom N of residue 4
Atom OD2 of residue 66
Chain A
Atom N of residue 1
Atom C of residue 68
Atom N of residue 79
Atom CG1 of residue 98
Atom C of residue 32
ASN
AccumulateRigidBodyDerivatives7
GLY
Atom CA of residue 5
ARG
RestraintSet 3
Atom CD1 of residue 63
P31
TRP
Atom O of residue 3
Atom CA of residue 1
GLY
PairScore 1
Atom NH2 of residue 5
LYS
ASP
LYS
Atom O of residue 3
Atom CZ of residue 68
Atom C of residue 85
Atom O of residue 116
Atom C of residue 18
P253
ASP
Atom NH2 of residue 5
Atom NH2 of residue 45
Atom CB of residue 27
Atom CA of residue 110
Atom CG of residue 70
P253
UpdateRigidBodyMembers43
ListSingletonContainer1
Atom CD of residue 96
P4
GLY
Atom NH1 of residue 61
Atom CA of residue 21
Atom NH2 of residue 5
GLY
ConnectivityRestraint 5
Atom N of residue 91
CYS
Atom CZ of residue 5
Atom CB of residue 78
LYS
RigidCPF
Atom O of residue 21
Atom CB of residue 123
Atom N of residue 47
Atom CG1 of residue 2
ALA
PairScore 3
FixedRefiner1
Atom O of residue 32
Atom CB of residue 24
Atom CB of residue 100
Atom C of residue 61
Atom CD1 of residue 28
LeavesRefiner3
Atom CA of residue 42
Atom CD2 of residue 63
P33
Atom CB of residue 1
ALA
Atom CZ of residue 3
AccumulateRigidBodyDerivatives43
Atom O of residue 85
ARG
Atom O of residue 19
Atom C of residue 2
Atom CB of residue 1
Atom O of residue 18
Atom CA of residue 108
Atom CG of residue 27
Atom CG1 of residue 2
Model 16
Atom CA of residue 2
Atom CD1 of residue 20
Atom CE of residue 96
Atom CB of residue 1
P2
Atom N of residue 87
Atom NH2 of residue 61
Chain A
ARG
Atom N of residue 5
Atom CG of residue 114
Atom N of residue 1
P304
Atom N of residue 107
Atom CG1 of residue 78
Atom C of residue 55
GLY
GLY
Atom N of residue 4
Atom CA of residue 18
Atom CG of residue 123
ARG
P51 rigid body positions
Atom CB of residue 3
Atom CA of residue 3
Atom O of residue 4
RestraintSet 4
THR
Atom O of residue 5
Atom CZ of residue 38
ConnectivityRestraint 7
Atom N of residue 6
Atom N of residue 1
GLY
Atom OG of residue 24
Atom OG of residue 100
Atom O of residue 61
Atom CA of residue 2
Atom N of residue 4
Atom CD of residue 13
Atom CD2 of residue 28
Atom CA of residue 2
ARG
P34
Atom CD of residue 1
THR
Atom OD1 of residue 119
Atom CG of residue 1
Atom N of residue 4
Atom C of residue 42
Atom N of residue 58
Atom CD of residue 70
Atom CE2 of residue 38
Atom N of residue 103
P125
Atom NH1 of residue 14
Atom N of residue 4
Atom C of residue 4
Atom C of residue 1
P303
Atom CD1 of residue 8
Atom C of residue 51
Atom C of residue 3
P35
RestraintSet 17
Atom CD of residue 1
KClosePairsPairScore 3
Atom N of residue 2
Atom C of residue 2
P303
Atom CG of residue 1
P9
ASP
Atom CA of residue 6
ListSingletonContainer13
Atom C of residue 24
ALA
Atom O of residue 55
Atom CA of residue 19
Atom N of residue 1
Atom CD1 of residue 3
Atom CA of residue 3
Atom CA of residue 2
UnaryFunction2
P0
Atom CB of residue 74
Atom CE of residue 13
UpdateRigidBodyMembers25
Atom CZ of residue 3
Atom N of residue 2
P21
Atom OD2 of residue 119
Atom CG2 of residue 2
Atom O of residue 42
ILE
Atom C of residue 5
Atom CZ of residue 38
ASN
UpdateRigidBodyMembers38
Atom O of residue 4
Atom OXT of residue 129
P14 RigidBodyHierarchy 1
Atom O of residue 1
Atom N of residue 4
Atom CA of residue 32
connectivity list
Atom CA of residue 109
Atom C of residue 5
Atom O of residue 51
Atom CB of residue 1
P36
simple_input.pdb
GLY
Atom N of residue 50
P5
Atom C of residue 5
P1 RigidBodyHierarchy 2
Atom O of residue 24
Atom CB of residue 2
Atom CB of residue 119
Atom CG2 of residue 92
ExcludedVolumeRestraint2
Atom CD of residue 5
Atom CA of residue 67
LEU
Atom C of residue 1
Atom C of residue 2
GLY
Atom CB of residue 1
ALA
ARG
P1
Atom O of residue 2
UnaryFunction13
Atom NH1 of residue 5
Atom N of residue 1
Atom NZ of residue 1
Atom CE of residue 1
Atom CB of residue 9
Atom N of residue 67
Atom C of residue 110
Atom C of residue 1
Atom N of residue 1
P13
Atom N of residue 71
PRO
Atom CD2 of residue 20
AccumulateRigidBodyDerivatives29
Atom C of residue 21
Atom CG of residue 74
P13
Atom N of residue 5
P22
Atom CB of residue 69
Atom CA of residue 54
P303 rigid body positions
SingletonConstraint 1
Atom N of residue 46
Atom CA of residue 2
Atom CG2 of residue 98
Atom O of residue 1
normalize rigid bodies
VAL
Atom CD of residue 114
Atom CB of residue 116
Atom N of residue 5
simple_input.pdb
VAL
P3
Atom N of residue 39
Atom O of residue 5
P37
VAL
Atom CE1 of residue 3
Atom CG of residue 3
SER
P6
simple_input.pdb
Atom C of residue 42
Atom CG of residue 119
Atom N of residue 93
Atom NE of residue 5
ListSingletonContainer9
Atom CA of residue 66
Atom CB of residue 21
Atom CA of residue 97
Atom C of residue 18
Atom CB of residue 32
Atom CD2 of residue 3
Atom O of residue 2
Atom NH2 of residue 14
rigid bodies list
GLY
Atom CG of residue 1
SER
Atom N of residue 3
Atom NH2 of residue 5
Atom CE of residue 1
Atom CB of residue 1
Atom N of residue 1
Atom N of residue 2
Atom N of residue 3
Atom CA of residue 95
Atom CD2 of residue 8
GLY
Atom O of residue 3
Atom C of residue 108
Atom O of residue 110
Atom CE of residue 1
ExcludedVolumeRestraint1
Atom O of residue 21
Atom N of residue 2
P0
Atom CB of residue 5
Atom NE1 of residue 63
Atom CA of residue 4
ASN
PHE
P1 rigid body positions
Atom CA of residue 121
Atom CD1 of residue 98
Atom CA of residue 113
Atom N of residue 62
Atom CA of residue 126
Atom CA of residue 2
Atom CB of residue 85
ExcludedVolumeRestraint7
Atom NE of residue 114
Atom CG of residue 116
Atom NE of residue 68
Atom CB of residue 18
P38
Atom NZ of residue 96
Atom CB of residue 1
P7
Atom CA of residue 4
P1 rigid body positions
Chain A
Atom CA of residue 115
Atom O of residue 42
Atom NZ of residue 1
Atom OD1 of residue 27
RestraintSet 18
Atom CG of residue 21
Atom O of residue 18
Atom O of residue 5
GLY
ConnectivityRestraint 9
Atom N of residue 33
Atom C of residue 2
VAL
P1 rigid body positions
PHE
ARG
Atom CA of residue 63
GLY
Atom CG2 of residue 78
PHE
Atom O of residue 108
Atom CA of residue 83
Atom CD1 of residue 123
Atom CB of residue 61
Atom O of residue 5
VAL
Atom CB of residue 2
Atom NE1 of residue 28
Atom C of residue 67
Atom CD of residue 1
Atom C of residue 5
Atom N of residue 10
Model 2
Atom CG of residue 5
Atom CD1 of residue 108
Atom N of residue 25
Atom N of residue 101
TRP
Atom C of residue 3
Atom CB of residue 2
Atom OG of residue 85
UpdateRigidBodyMembers29
ARG
Atom CA of residue 47
Atom CG of residue 18
VAL
P21
Atom NH1 of residue 68
LYS
P1
Atom CD of residue 1
P8
Atom CG of residue 3
Atom CA of residue 87
Atom CA of residue 90
VAL
Atom N of residue 7
Chain A
Atom NZ of residue 1
Atom C of residue 1
Atom CG1 of residue 2
Atom CB of residue 55
Atom CE2 of residue 28
Atom ND2 of residue 27
Atom CA of residue 71
Atom CD2 of residue 3
Atom CA of residue 103
ListSingletonContainer15
ASN
Atom CD1 of residue 78
Atom CA of residue 3
Atom C of residue 32
UnaryFunction17
Atom C of residue 109
UpdateRigidBodyMembers15
Chain A
Atom CA of residue 4
Atom CD2 of residue 123
Atom CA of residue 79
Atom CG of residue 61
Atom C of residue 2
Atom N of residue 39
Atom CA of residue 2
Atom CZ of residue 14
ARG
Atom CG1 of residue 2
Atom O of residue 35
Atom CA of residue 91
Atom CA of residue 107
Atom CG of residue 1
Atom N of residue 2
Atom N of residue 120
Atom CE of residue 1
Atom CB of residue 3
UpdateRigidBodyMembers21
Atom CB of residue 5
Atom CB of residue 42
Atom CD2 of residue 108
LEU
ASP
Atom CA of residue 4
Atom N of residue 15
Atom CA of residue 3
Atom N of residue 3
GLY
P1
Atom N of residue 9
Atom CB of residue 51
P22
Atom NZ of residue 1
Atom CE of residue 1
P17
Atom CA of residue 5
Atom CA of residue 2
GLU
Atom C of residue 9
Atom CB of residue 24
Atom N of residue 2
Atom CG1 of residue 55
Atom C of residue 54
UpdateRigidBodyMembers12
AccumulateRigidBodyDerivatives15
Atom CA of residue 58
P253 RigidBodyHierarchy 0
Model 17
P0
NullModifier0
Atom O of residue 32
PairScore 7
Atom O of residue 109
P1
Model 1
Atom C of residue 5
Atom CB of residue 5
Atom CG of residue 19
WriteOptimizerState0
Atom CA of residue 50
Atom O of residue 2
ASN
Atom C of residue 105
Chain A
Atom CA of residue 69
VAL
Atom CG of residue 3
Atom C of residue 66
Atom C of residue 97
Atom N of residue 43
Atom CB of residue 118
Atom N of residue 5
simple_input.pdb
Atom O of residue 2
Atom OD1 of residue 74
Atom CB of residue 5
Atom CA of residue 5
Atom CE2 of residue 63
AccumulateRigidBodyDerivatives2
Atom N of residue 2
NormalizeRotation8
Atom C of residue 95
Atom O of residue 5
ALA
Atom OG1 of residue 51
P23
Atom C of residue 71
SoftSpherePairScore 1
simple_input.pdb
simple_input.pdb
Atom CG1 of residue 2
LYS
Atom OG of residue 24
VAL
ASN
Atom O of residue 54
Atom C of residue 4
Atom CZ of residue 5
Atom NH2 of residue 68
Atom C of residue 121
Atom CD of residue 5
Atom CG2 of residue 2
Atom N of residue 97
Atom C of residue 113
Atom O of residue 3
Atom C of residue 126
Atom N of residue 86
SoftSpherePairScore 7
P51
P0
Atom C of residue 2
P14
PHE
Atom CA of residue 1
KClosePairsPairScore 7
ALA
Atom CB of residue 110
LYS
Atom CG of residue 5
FixedRefiner0
connectivity list
Atom C of residue 4
Atom CB of residue 21
Atom CB of residue 2
Atom CB of residue 5
Atom O of residue 105
Atom C of residue 115
Atom O of residue 1
Atom OG1 of residue 69
Atom O of residue 66
Atom O of residue 97
P51 RigidBodyHierarchy 2
Atom OG1 of residue 118
Atom N of residue 99
Atom CE2 of residue 3
Atom N of residue 127
Atom CE1 of residue 3
Chain A
P124
Atom ND2 of residue 74
Atom CG of residue 5
Atom CZ of residue 114
Atom O of residue 19
Atom C of residue 2
Atom CE2 of residue 28
Atom CD2 of residue 3
Atom CE3 of residue 63
Atom N of residue 2
Atom C of residue 63
Atom CD of residue 1
VAL
Atom CE3 of residue 28
Atom O of residue 95
P24
Atom C of residue 83
Atom CA of residue 14
ConjugateGradients
Atom CG of residue 1
Chain A
Atom CD of residue 116
Atom CB of residue 42
Atom CA of residue 2
UpdateRigidBodyMembers30
Atom O of residue 121
Atom CB of residue 18
Atom O of residue 113
Atom O of residue 126
P35
Atom CA of residue 1
HIS
simple_input.pdb
Atom O of residue 2
Atom NE of residue 5
Atom C of residue 47
Atom O of residue 9
Atom N of residue 4
Atom CE2 of residue 3
simple_input.pdb
Atom C of residue 10
Atom CB of residue 108
Atom N of residue 111
Atom CA of residue 2
Atom CD of residue 21
ARG
P177 RigidBodyHierarchy 0
Atom C of residue 87
Atom CG of residue 21
Atom C of residue 90
DiameterRestraint3
Atom O of residue 115
Atom CG of residue 5
Atom CA of residue 3
GridCPF
Atom CB of residue 1
AccumulateRigidBodyDerivatives18
Atom O of residue 71
VAL
CYS
Atom C of residue 103
simple_input.pdb
Atom NH1 of residue 14
Atom O of residue 2
ExcludedVolumeRestraint4
Atom CE3 of residue 28
Atom CB of residue 1
Atom CD of residue 5
Atom O of residue 63
Atom CA of residue 39
Atom CA of residue 46
P25
P1 rigid body positions
Atom C of residue 4
Atom O of residue 83
Atom O of residue 5
UpdateRigidBodyMembers24
Atom C of residue 79
LYS
Atom C of residue 95
LYS
GLY
LYS
P175
THR
Atom CB of residue 2
Atom CD1 of residue 3
Atom CE of residue 116
Atom C of residue 91
Atom N of residue 43
Atom C of residue 107
Atom C of residue 5
Atom OD1 of residue 18
P9
Atom N of residue 28
Atom CG of residue 18
Atom CG2 of residue 2
Atom C of residue 4
P36
simple_input.pdb
Atom CB of residue 2
Atom CZ of residue 5
Atom O of residue 47
Model 14
Atom N of residue 79
Atom O of residue 20
Atom CG2 of residue 69
Atom CG of residue 108
Atom N of residue 2
Atom NE of residue 21
Atom NE1 of residue 123
SingletonModifier 0
Atom O of residue 87
Atom CB of residue 3
Atom OD1 of residue 19
Atom O of residue 90
Atom CG2 of residue 2
Atom CE of residue 1
Atom O of residue 1
Atom NZ of residue 1
Atom C of residue 1
Atom O of residue 4
Atom C of residue 58
DistancePairScore 7
Atom NE1 of residue 108
Atom CA of residue 25
Atom CA of residue 101
Atom CD of residue 61
Atom O of residue 103
Chain A
Atom O of residue 2
Atom CB of residue 2
Atom C of residue 2
Atom CA of residue 93
GLY
Atom C of residue 9
P26
Atom O of residue 79
Atom CA of residue 1
Atom NZ of residue 1
Atom CA of residue 5
Atom C of residue 50
Atom O of residue 4
Atom CA of residue 62
Atom CG1 of residue 2
Atom O of residue 91
Atom CA of residue 1
Atom O of residue 107
Atom OD2 of residue 18
TRP
Chain A RigidBodyHierarchy 6
Atom CD1 of residue 58
Atom CG1 of residue 2
P37
P1
Atom C of residue 5
Atom OE1 of residue 7
Atom C of residue 5
PRO
Atom CG2 of residue 55
Atom CZ2 of residue 28
Atom CB of residue 32
Atom NH1 of residue 5
Atom CA of residue 1
P4
Atom N of residue 72
Atom CZ of residue 3
ModelScoringFunction6
ConjugateGradients
Atom CG of residue 3
Atom N of residue 3
Atom CA of residue 1
Atom C of residue 1
Atom CD1 of residue 3
Atom O of residue 58
Atom CD of residue 1
Atom CB of residue 2
Atom NE of residue 61
Atom CA of residue 69
Atom CB of residue 2
Atom O of residue 2
Atom CA of residue 2
Atom N of residue 5
P27
THR
SingletonConstraint 0
Atom CA of residue 1
Atom O of residue 50
Atom N of residue 3
Atom NH1 of residue 114
DiameterRestraint center
Atom N of residue 55
Atom CA of residue 120
Atom O of residue 9
Atom CG2 of residue 51
Atom CB of residue 5
Atom O of residue 95
Atom CA of residue 33
Atom C of residue 4
P38
Atom CA of residue 15
P3
Atom NH2 of residue 14
Atom CB of residue 105
LYS
Atom NE of residue 5
Atom N of residue 25
Atom NZ of residue 1
Atom CD1 of residue 55
Atom N of residue 33
Atom NH2 of residue 5
VAL
simple_input.pdb
Atom O of residue 4
Atom CD of residue 5
P5
Atom C of residue 14
Atom CA of residue 5
Atom CG1 of residue 2
Atom CZ2 of residue 63
LYS
Atom O of residue 5
Atom N of residue 3
Atom CB of residue 20
Atom CD2 of residue 3
Atom CB of residue 66
Atom CB of residue 97
PairScore 2
UnaryFunction23
Atom CE of residue 1
Atom CB of residue 128
Atom O of residue 4
ListSingletonContainer5
Atom CA of residue 39
Atom N of residue 75
Atom CB of residue 2
Atom CB of residue 95
Atom N of residue 5
DiameterRestraint5
UnaryFunction7
PHE
Atom CA of residue 5
Atom NH2 of residue 114
P252
ILE
Atom O of residue 1
Atom CB of residue 9
Atom N of residue 52
Atom CG of residue 5
Atom CB of residue 121
SER
P7
Atom CA of residue 127
Atom CB of residue 95
Atom CB of residue 113
Atom N of residue 5
Atom N of residue 127
Atom O of residue 4
P23
DistancePairScore 0
Atom CG of residue 105
CYS
LEU
Atom C of residue 39
ARG
Atom C of residue 46
Chain A
Atom NE of residue 5
P10
P74 RigidBodyHierarchy 0
Atom O of residue 14
Atom CG1 of residue 2
Atom CG1 of residue 2
Atom CZ2 of residue 28
UnaryFunction11
Atom CB of residue 115
Atom CZ3 of residue 63
PHE
P15
Atom CG of residue 66
TRP
Atom CG of residue 5
Atom CG of residue 97
Atom CE2 of residue 123
Atom CG of residue 1
LYS
Atom CG of residue 128
Atom CD of residue 21
LEU
PHE
Atom O of residue 5
Atom OE2 of residue 7
Atom C of residue 1
Atom CB of residue 63
Atom CZ3 of residue 28
Atom CD of residue 5
Atom N of residue 2
Atom N of residue 96
Atom CB of residue 83
Atom N of residue 1
TupleRestraint 2
Atom CE2 of residue 108
Atom CG2 of residue 2
Atom CA of residue 3
Atom NZ of residue 116
NullModifier8
simple_input.pdb
Atom CG of residue 5
Atom C of residue 1
Atom CA of residue 43
Atom CG of residue 121
Atom CA of residue 72
Atom CA of residue 99
P1 RigidBodyHierarchy 6
Atom N of residue 2
Atom CG of residue 113
Atom C of residue 25
Atom C of residue 101
CYS
Atom N of residue 5
P24
P2
Atom CB of residue 47
THR
Atom C of residue 93
Atom O of residue 39
P252
Atom O of residue 46
Atom CZ of residue 21
Atom OD1 of residue 18
NullModifier3
Atom CB of residue 87
Atom C of residue 62
Atom CB of residue 90
P177
P0
Atom CZ3 of residue 28
Atom SG of residue 115
Atom CG1 of residue 2
P16
Atom CB of residue 5
Atom CB of residue 35
Atom CD of residue 5
Atom N of residue 5
Atom CE3 of residue 123
P5
Atom NE of residue 21
Atom CB of residue 103
Atom CG2 of residue 2
Atom N of residue 15
Atom CZ of residue 5
P51 RigidBodyHierarchy 1
input.pdb
Atom CG of residue 63
Atom CB of residue 5
Atom NE of residue 5
DiameterRestraint center
Atom CG of residue 83
P12
Atom N of residue 59
Atom C of residue 77
Atom N of residue 1
Atom CE3 of residue 108
Atom CG2 of residue 2
Atom N of residue 5
Atom CB of residue 91
Atom O of residue 4
Atom CB of residue 107
Atom N of residue 2
Atom N of residue 19
Chain A rigid body positions
Atom CG of residue 20
ARG
P6
Atom CG of residue 5
TupleRestraint 7
Atom O of residue 25
Atom O of residue 101
ARG
P25
Atom CG2 of residue 2
Atom OG1 of residue 47
Atom CA of residue 4
Atom O of residue 93
Atom C of residue 2
Atom CA of residue 2
Atom CD of residue 35
Atom C of residue 5
SampledDensityMap6
Atom OD2 of residue 18
ARG
Atom CG of residue 87
Atom CA of residue 3
Atom O of residue 62
Atom CD1 of residue 3
Atom CG2 of residue 118
Atom N of residue 91
Atom C of residue 120
PHE
Atom CB of residue 58
Atom N of residue 3
DistancePairScore 2
Atom C of residue 33
Atom CA of residue 4
Atom CZ of residue 61
Atom CG of residue 103
Atom N of residue 3
Atom N of residue 20
Atom CA of residue 79
Atom O of residue 1
Atom CA of residue 111
ASN
Atom C of residue 72
Atom CB of residue 50
Atom N of residue 3
Atom C of residue 1
Atom O of residue 75
P1137
Atom OG of residue 91
Atom CB of residue 5
Atom N of residue 108
VAL
ASN
VAL
Atom C of residue 1
Chain A RigidBodyHierarchy 12
Atom C of residue 3
Atom CA of residue 5
Atom C of residue 39
P26
Atom CG2 of residue 2
Atom O of residue 1
Atom N of residue 56
Atom CH2 of residue 28
VAL
Atom NE of residue 5
VAL
Atom CD2 of residue 3
Atom N of residue 29
Atom N of residue 119
Atom N of residue 3
Atom CA of residue 43
Atom CA of residue 55
Atom O of residue 120
LYS
Atom CA of residue 4
Atom CE1 of residue 3
Atom CD of residue 5
Atom O of residue 1
Atom CG2 of residue 58
PHE
Atom C of residue 127
Atom O of residue 33
Atom NZ of residue 1
Atom CB of residue 1
Atom CE2 of residue 3
Atom N of residue 68
PHE
Atom CB of residue 1
ARG
Atom N of residue 96
Atom OG of residue 50
Atom CB of residue 79
Atom CB of residue 75
Atom N of residue 3
Atom CG of residue 5
Atom CG of residue 5
normalize rigid bodies
ASP
Atom CA of residue 5
Atom CD of residue 5
Atom O of residue 3
Atom C of residue 5
ARG
Atom O of residue 39
P27
LYS
HIS
Atom N of residue 117
Atom N of residue 5
Atom CA of residue 25
Atom CG2 of residue 2
Atom CA of residue 5
LEU
Atom CG of residue 5
Atom CZ of residue 5
Atom O of residue 77
Atom CB of residue 14
Atom CA of residue 5
normalize rigid bodies
simple_input.pdb
PHE
Atom SD of residue 105
TYR
Atom CH2 of residue 63
Atom CA of residue 4
Atom NH1 of residue 21
Atom O of residue 5
Atom C of residue 43
Chain A RigidBodyHierarchy 7
Atom O of residue 72
Atom C of residue 99
Atom O of residue 127
Atom N of residue 1
P0
Atom CD of residue 128
Atom CA of residue 127
Atom O of residue 2
Atom CD1 of residue 20
Atom OD1 of residue 66
Atom CD of residue 97
Chain A rigid body positions
P51 RigidBodyHierarchy 4
Atom CD of residue 5
P4 RigidBodyHierarchy 1
Atom CG of residue 79
PHE
Atom CA of residue 3
P1
Atom CA of residue 118
P253 RigidBodyHierarchy 1
LYS
Atom CZ of residue 5
Atom NE of residue 5
Atom C of residue 2
Atom CE1 of residue 3
PHE
DiameterRestraint4
Atom CA of residue 75
GLY
ARG
Atom CB of residue 2
Atom CA of residue 1
Atom NH1 of residue 5
Atom CB of residue 39
Atom CD1 of residue 3
DistancePairScore 5
Atom CB of residue 5
Atom CB of residue 46
Atom CD of residue 121
Atom CZ2 of residue 123
LYS
Atom CG of residue 14
Atom OD1 of residue 113
Atom C of residue 3
Atom CD of residue 1
Atom NE of residue 5
Atom C of residue 15
Atom CA of residue 3
Atom CH2 of residue 28
Atom CE of residue 105
Atom CA of residue 20
Atom CB of residue 1
Atom N of residue 64
Atom CG of residue 1
Atom NH2 of residue 21
Atom O of residue 43
Atom O of residue 99
P1
Atom CB of residue 5
P0
Atom CA of residue 1
Atom NE of residue 128
Atom CB of residue 3
Chain A
Atom N of residue 3
Atom N of residue 116
Atom CZ of residue 5
Atom CA of residue 33
Atom OD2 of residue 66
Atom CB of residue 5
Atom CB of residue 1
Atom CE of residue 97
Atom CA of residue 5
Atom NE of residue 5
Atom NH1 of residue 61
Atom CA of residue 3
Atom CD1 of residue 63
NormalizeRotation3
Atom CA of residue 2
connectivity list
Atom CD1 of residue 83
Atom CD2 of residue 3
Atom NH1 of residue 5
Atom CB of residue 25
Atom CB of residue 101
Model 5
Atom CA of residue 5
Chain A
Atom ND2 of residue 19
Atom CB of residue 93
Atom CG of residue 39
Atom C of residue 79
Atom C of residue 7
Atom CG of residue 46
Atom C of residue 111
Atom CA of residue 1
Atom OE1 of residue 121
Atom CA of residue 68
Atom N of residue 19
Atom CZ3 of residue 123
Atom CB of residue 72
Atom CA of residue 2
Atom ND2 of residue 113
Atom O of residue 3
Atom CB of residue 62
P4 rigid body positions
Atom CZ of residue 5
NormalizeRotation1
Atom CG1 of residue 58
Atom CG2 of residue 47
Atom CG of residue 1
Atom CA of residue 20
RestraintSet 5
LYS
P3
Atom OD1 of residue 87
Atom C of residue 4
SER
LYS
Atom CD of residue 5
LYS
Atom N of residue 3
Atom CA of residue 52
Atom CE2 of residue 3
P32
ARG
Atom CG of residue 1
Atom CB of residue 77
Atom CB of residue 1
Atom N of residue 2
P355
Atom O of residue 5
Atom NH2 of residue 61
Atom CB of residue 123
P177 rigid body positions
Atom OD1 of residue 103
P176
Atom C of residue 43
Atom CD2 of residue 63
Atom CB of residue 2
Atom C of residue 118
Atom C of residue 55
Atom CD of residue 5
Atom CD2 of residue 83
Atom NH2 of residue 5
Atom CG of residue 25
P1
Atom CG of residue 101
SingletonModifier 4
P252
Atom CA of residue 15
Atom N of residue 92
Atom NZ of residue 13
Atom NH2 of residue 5
TRP
Atom CG of residue 93
AccumulateRigidBodyDerivatives38
Atom CD of residue 1
Atom O of residue 79
Atom CA of residue 96
Atom CD2 of residue 20
Atom O of residue 111
Atom CA of residue 59
ASN
Atom CB of residue 3
Atom CG of residue 62
Atom CE1 of residue 3
ASP
PHE
Atom N of residue 48
Atom CB of residue 120
ListSingletonContainer12
Atom C of residue 5
Atom C of residue 1
Atom NH1 of residue 5
Atom CB of residue 33
P7
Atom OD2 of residue 87
Atom C of residue 30
Atom O of residue 15
Atom C of residue 3
Atom CG of residue 75
Atom C of residue 3
Atom C of residue 25
Atom CA of residue 1
Atom C of residue 4
Atom CB of residue 68
AccumulateRigidBodyDerivatives9
Atom CZ of residue 3
Chain A
Atom CE1 of residue 3
Atom CG of residue 1
Atom CE2 of residue 3
Atom C of residue 5
Atom CG of residue 3
LYS
Atom CG of residue 123
Atom ND2 of residue 103
Atom CD of residue 5
Atom O of residue 43
DiameterRestraint2
Atom CG1 of residue 2
Atom O of residue 118
Atom O of residue 55
Fit restraint scratch map
UnaryFunction15
Atom OG of residue 72
Atom N of residue 51
Atom C of residue 127
Atom CB of residue 3
Atom CB of residue 39
SingletonConstraint 4
P1
VAL
RestraintSet 6
VAL
Atom CA of residue 4
Atom CB of residue 5
Atom C of residue 3
Atom CA of residue 5
PHE
Atom N of residue 70
Atom CG1 of residue 120
Atom NH1 of residue 5
Atom NH2 of residue 5
P1 RigidBodyHierarchy 8
Atom CG of residue 33
rigid bodies list
Atom O of residue 30
UpdateRigidBodyMembers26
Atom O of residue 3
Atom O of residue 3
Atom CA of residue 56
DistancePairScore 3
Atom O of residue 7
Atom CB of residue 5
Atom CA of residue 96
Atom CZ of residue 21
Atom CD1 of residue 3
UpdateRigidBodyMembers18
Atom CD of residue 79
UpdateRigidBodyMembers35
Atom CA of residue 91
Atom C of residue 70
Atom NE of residue 5
Model 6
Atom CG1 of residue 2
Atom CE of residue 1
Atom CG2 of residue 58
Atom NH1 of residue 5
TupleRestraint 5
Atom CZ of residue 5
VAL
THR
Atom CZ of residue 3
Atom CG of residue 39
Atom O of residue 127
AccumulateRigidBodyDerivatives26
Atom NE of residue 5
Atom C of residue 33
Atom N of residue 22
Atom C of residue 5
Atom CG of residue 77
UpdateRigidBodyMembers28
Atom CA of residue 3
Atom N of residue 106
CYS
Chain A
Atom CA of residue 108
Atom C of residue 2
P14
P1 rigid body positions
Atom NE of residue 5
Atom CB of residue 43
Atom N of residue 5
Atom CD of residue 14
Atom CB of residue 99
Atom CZ of residue 3
Atom CZ of residue 128
Atom CD1 of residue 62
Atom C of residue 5
Atom CB of residue 3
Atom C of residue 118
Atom CA of residue 117
Atom CB of residue 7
Atom N of residue 67
Atom NZ of residue 97
P1 RigidBodyHierarchy 3
Atom N of residue 73
Atom O of residue 1
Atom CZ of residue 5
Atom C of residue 2
AccumulateRigidBodyDerivatives39
Atom N of residue 80
Atom CA of residue 3
Atom CB of residue 3
VAL
Atom NH2 of residue 5
ListSingletonContainer17
Atom O of residue 5
Atom O of residue 1
P304
Atom O of residue 1
simple_input.pdb
Atom CB of residue 3
AccumulateRigidBodyDerivatives10
PRO
RestraintSet 19
simple_input.pdb
Atom O of residue 33
Atom C of residue 52
Atom C of residue 6
GLY
Atom NE2 of residue 121
Atom CH2 of residue 123
Atom O of residue 5
Atom N of residue 114
P8 rigid body positions
FixedRefiner4
Atom CB of residue 15
Atom CD1 of residue 75
ListSingletonContainer11
ASN
Atom N of residue 14
Atom CD of residue 1
Atom OD1 of residue 39
P15
Atom OD1 of residue 46
Atom C of residue 3
ARG
Atom OG1 of residue 43
P74 RigidBodyHierarchy 2
Atom CE2 of residue 3
Atom C of residue 1
Atom NE of residue 14
Atom CG1 of residue 99
Atom CG2 of residue 2
LeavesRefiner6
Atom CE2 of residue 3
Atom CG of residue 5
Atom N of residue 62
Atom C of residue 4
Atom O of residue 70
Atom O of residue 118
Atom CA of residue 116
simple_input.pdb
Atom C of residue 96
GLY
Atom NH2 of residue 5
Atom CD of residue 1
UnaryFunction16
Atom C of residue 59
Atom C of residue 1
Atom O of residue 4
Atom O of residue 1
Atom O of residue 3
Atom NE1 of residue 63
Atom CA of residue 3
Atom N of residue 84
Atom CE2 of residue 111
P2
Atom CD2 of residue 3
Atom O of residue 1
Atom CA of residue 70
Atom CB of residue 79
RestraintSet 21
Atom O of residue 52
Atom O of residue 6
Atom CB of residue 5
Atom CB of residue 111
Chain A
Atom N of residue 124
Atom N of residue 4
Atom CD1 of residue 25
ARG
Atom OD1 of residue 101
KClosePairsPairScore 0
Atom CD2 of residue 75
Atom N of residue 29
ASP
ARG
Atom CE of residue 1
P1 RigidBodyHierarchy 1
Atom C of residue 69
Atom O of residue 25
Atom OD1 of residue 93
Atom ND2 of residue 39
P14
Atom N of residue 4
Atom ND2 of residue 46
P74
DiameterRestraint center
ARG
Atom CG2 of residue 2
P11
Atom N of residue 88
Atom CZ of residue 3
TRP
Atom CA of residue 2
Atom O of residue 4
SoftSpherePairScore 4
Chain A
Atom CZ of residue 5
ARG
Atom O of residue 96
P39
Atom CE of residue 1
P16
Atom O of residue 5
Atom O of residue 59
Atom CD of residue 1
Chain A RigidBodyHierarchy 3
Atom N of residue 104
Atom CG of residue 3
Atom CD1 of residue 58
Atom CB of residue 43
Atom C of residue 67
Atom CG2 of residue 2
Atom CB of residue 55
Atom O of residue 2
Atom CZ of residue 5
LEU
Atom OD1 of residue 77
Atom CA of residue 2
Atom O of residue 5
P32
Atom CD1 of residue 123
P1
Atom CA of residue 92
P2
Atom O of residue 36
Atom CG of residue 79
Atom C of residue 56
ALA
TupleRestraint 3
Atom CB of residue 6
P3
Atom CG of residue 111
Atom NH1 of residue 5
Atom CZ of residue 3
Atom C of residue 96
Atom O of residue 2
GLY
Atom NH1 of residue 21
Atom CD2 of residue 25
Frag3
Atom OD2 of residue 101
Atom CB of residue 30
Atom C of residue 91
Atom CB of residue 70
Chain A
Atom CG of residue 3
Atom CB of residue 2
Atom N of residue 5
Atom ND2 of residue 93
RestraintSet 20
Chain A
Atom CA of residue 73
Atom N of residue 3
Atom C of residue 1
ILE
ModelScoringFunction1
P4
P0
Model 4
VAL
Atom CG2 of residue 120
Atom CA of residue 6
P40
Atom CD of residue 5
Atom N of residue 70
Chain A RigidBodyHierarchy 10
Atom CE of residue 1
Atom NH1 of residue 128
Atom CD of residue 5
Atom C of residue 3
Atom CG of residue 15
GLY
Atom OD1 of residue 119
Atom CZ of residue 5
Atom OG1 of residue 43
Atom C of residue 108
Atom N of residue 3
Atom CG1 of residue 55
Atom O of residue 1
Atom O of residue 3
Atom N of residue 98
P177
Atom NH1 of residue 5
Atom CA of residue 51
Atom CA of residue 4
Atom CB of residue 127
Atom CD2 of residue 123
Atom CA of residue 1
Atom N of residue 5
Atom CB of residue 1
Atom CB of residue 3
Atom C of residue 117
Atom CB of residue 1
Atom O of residue 56
Atom NH2 of residue 5
simple_input.pdb
Atom O of residue 96
Atom CA of residue 4
Atom SG of residue 30
Atom OD1 of residue 39
Atom O of residue 91
Atom C of residue 15
Atom C of residue 3
Atom CB of residue 1
ARG
P0
Atom N of residue 122
Atom CD of residue 33
LYS
Atom CD1 of residue 3
Atom N of residue 36
Atom N of residue 121
P41
Atom OE1 of residue 35
Atom CE3 of residue 111
Atom NH2 of residue 128
CYS
AccumulateRigidBodyDerivatives0
Atom CA of residue 64
Atom CB of residue 25
Atom CB of residue 36
Atom O of residue 108
SoftSpherePairScore 2
RestraintSet 11
Atom SG of residue 6
P177
GLY
P0
P1
Atom CG of residue 5
ILE
Atom CB of residue 5
Atom NH2 of residue 5
Atom CE2 of residue 3
Atom SG of residue 127
Atom CG of residue 70
Atom CG of residue 3
Atom O of residue 117
Atom C of residue 116
Atom O of residue 7
Atom CE2 of residue 63
LYS
Atom CB of residue 33
Atom CB of residue 2
Atom O of residue 6
RestraintSet 25
Atom C of residue 73
Atom NH2 of residue 21
P177
Atom CB of residue 5
Atom ND2 of residue 39
LYS
LYS
Atom O of residue 15
Atom CG of residue 1
Atom C of residue 3
Atom N of residue 1
Atom CB of residue 1
LYS
LYS
ALA
PRO
Atom ND2 of residue 77
P125 RigidBodyHierarchy 0
NormalizeRotation5
Atom CB of residue 2
Atom NZ of residue 1
PHE
Atom NE of residue 5
simple_input.pdb
ARG
Atom CD1 of residue 3
VAL
P0
P42
Atom CG2 of residue 43
Atom CG2 of residue 99
P0
Atom CA of residue 106
UpdateRigidBodyMembers34
VAL
Atom CA of residue 48
P10
RestraintSet 2
Atom OG1 of residue 69
Atom NE of residue 5
Atom CG of residue 5
Atom C of residue 4
Atom N of residue 52
Atom O of residue 116
Atom CB of residue 7
Atom CE3 of residue 63
Atom NH1 of residue 5
PHE
Atom CG of residue 33
Atom CG1 of residue 2
Atom CB of residue 6
Atom CB of residue 52
Atom CB of residue 3
ILE
Atom N of residue 4
Atom CA of residue 1
Atom CG of residue 5
Atom O of residue 3
Atom N of residue 76
Atom N of residue 3
AccumulateRigidBodyDerivatives30
Atom NZ of residue 1
Atom NH1 of residue 5
Atom N of residue 47
Atom CA of residue 22
Atom CA of residue 70
Atom CA of residue 4
Atom C of residue 2
Atom CG1 of residue 2
Atom ND1 of residue 15
Atom CE2 of residue 3
UpdateRigidBodyMembers33
Atom C of residue 92
Atom OG of residue 36
Model 23
DiameterRestraint center
P252
P2
Atom CB of residue 96
Atom N of residue 3
P43
Atom NZ of residue 1
Atom CB of residue 59
Atom CB of residue 118
TYR
Atom N of residue 100
Atom CA of residue 114
Atom N of residue 69
Atom OD1 of residue 87
Atom CD of residue 70
Atom O of residue 3
Atom CB of residue 1
Atom CA of residue 29
LeavesRefiner4
Atom CG of residue 19
Atom O of residue 73
Atom CE of residue 33
RigidCPF
Atom CA of residue 4
Chain A RigidBodyHierarchy 2
Atom NH1 of residue 5
P6
Atom N of residue 40
Atom CG of residue 52
Atom CG of residue 3
Chain A rigid body positions
Atom CD of residue 5
Atom CZ2 of residue 111
Atom N of residue 26
Atom CA of residue 2
Chain A
Atom CD2 of residue 3
CYS
Atom N of residue 36
AccumulateRigidBodyDerivatives33
PHE
Atom CA of residue 1
Atom CG of residue 25
Atom N of residue 94
Atom CD of residue 79
THR
LeavesRefiner8
Atom CD1 of residue 111
Atom CA of residue 84
P7
Atom C of residue 51
Atom CA of residue 80
Atom N of residue 4
Atom CA of residue 52
Atom CG of residue 3
Atom O of residue 92
Atom CA of residue 5
P3
Atom CG of residue 1
Atom C of residue 5
Atom CG of residue 96
P51
Atom OD1 of residue 103
P44
Atom CG2 of residue 69
AccumulateRigidBodyDerivatives12
Atom CD of residue 5
Atom CG of residue 59
Atom C of residue 1
Atom O of residue 4
Atom N of residue 22
Atom C of residue 4
Atom CA of residue 62
Atom OD2 of residue 119
Atom O of residue 3
AccumulateRigidBodyDerivatives3
Atom N of residue 78
Atom NZ of residue 33
Atom CA of residue 88
P39
Atom N of residue 2
RestraintSet 9
Atom NH2 of residue 5
Atom CG2 of residue 43
THR
Atom CB of residue 56
Atom N of residue 2
Atom CG2 of residue 55
PHE
Atom CB of residue 3
Atom O of residue 36
Atom NE of residue 5
P1
VAL
GLY
Atom N of residue 2
Atom CA of residue 104
Atom C of residue 2
Atom N of residue 4
Atom C of residue 64
Atom N of residue 37
CYS
GridCPF
simple_input.pdb
Atom N of residue 80
Atom CA of residue 14
Atom CD2 of residue 111
P8
Atom C of residue 20
Atom O of residue 51
Atom N of residue 129
Atom N of residue 31
Atom CB of residue 3
Atom N of residue 71
Atom CG of residue 7
P9
GLN
P45
RigidCPF
Atom CA of residue 1
GLY
ListSingletonContainer4
GLY
Atom N of residue 120
Atom CB of residue 15
P13
Atom CB of residue 108
Atom NH2 of residue 5
Atom CA of residue 2
UnaryFunction10
Atom N of residue 44
Atom CG of residue 3
Atom CB of residue 73
Atom O of residue 2
Atom C of residue 45
P40
Atom CD2 of residue 15
VAL
Atom CE1 of residue 3
Atom CD1 of residue 3
Atom N of residue 118
Atom CB of residue 3
Atom CA of residue 4
Atom N of residue 44
Atom CG of residue 56
VAL
Atom CD1 of residue 55
Atom NH2 of residue 5
Atom C of residue 4
Atom C of residue 1
Atom N of residue 5
Atom CA of residue 3
Atom C of residue 2
GridCPF
Atom C of residue 1
Atom N of residue 40
Atom N of residue 128
P125 rigid body positions
VAL
GLY
Atom C of residue 106
P51 rigid body positions
Atom C of residue 48
Atom O of residue 64
Atom CD of residue 1
P11
Atom CA of residue 98
P355
GLY
LEU
ALA
Atom CG of residue 3
Atom N of residue 2
VAL
P46
Atom CZ3 of residue 111
6lyz.pdb
simple_input.pdb
Atom CG of residue 15
Atom CA of residue 29
Atom CB of residue 3
Atom CZ2 of residue 63
Atom CG of residue 108
UnaryFunction3
Atom O of residue 5
UpdateRigidBodyMembers0
Atom CA of residue 4
Atom N of residue 2
Atom C of residue 22
ASN
Atom CD of residue 5
Atom CB of residue 36
GridCPF
Atom O of residue 45
P51 RigidBodyHierarchy 0
UnaryFunction4
P41
Atom CD2 of residue 3
UpdateRigidBodyMembers16
THR
Atom CG of residue 3
Atom CB of residue 116
Atom CD1 of residue 25
Atom CB of residue 3
ASN
Atom CG2 of residue 2
Atom NE of residue 5
Atom O of residue 1
simple_input.pdb
GLY
Atom C of residue 114
ConnectivityRestraint 0
Atom CD of residue 5
THR
ARG
GLY
Atom CA of residue 5
Atom C of residue 52
Atom O of residue 106
Atom O of residue 48
Atom CE of residue 1
LYS
Atom CA of residue 3
Atom C of residue 29
Atom CD of residue 33
PairScore 4
P12
P0
Atom N of residue 59
ILE
Atom CG2 of residue 2
Atom C of residue 4
LYS
VAL
AccumulateRigidBodyDerivatives36
Atom N of residue 105
FixedRefiner2
simple_input.pdb
Atom CA of residue 3
P47
Atom CA of residue 81
P51 rigid body positions
Atom CA of residue 124
SER
ARG
PHE
Atom O of residue 1
Chain A
P125
Chain A
Atom OD2 of residue 87
Atom CZ3 of residue 63
Atom O of residue 22
Atom NE of residue 5
Atom C of residue 84
SER
P42
Atom C of residue 80
Atom CD1 of residue 3
AccumulateRigidBodyDerivatives19
Atom CG of residue 116
UnaryFunction12
Atom CG of residue 3
Atom CA of residue 37
Atom CB of residue 3
Atom N of residue 3
Atom CG of residue 1
Atom CD1 of residue 3
Atom CG2 of residue 2
Atom CB of residue 11
Chain A
Atom CB of residue 2
TRP
Atom O of residue 114
Atom NE of residue 5
Atom C of residue 62
LYS
Atom CA of residue 71
RestraintSet 10
Atom O of residue 52
Atom NH1 of residue 5
Atom O of residue 29
Atom CE of residue 33
Atom CA of residue 121
PHE
Atom OD1 of residue 52
P74
AccumulateRigidBodyDerivatives4
Atom CG of residue 73
Atom C of residue 1
Atom N of residue 3
Atom O of residue 4
Atom CD1 of residue 3
Atom C of residue 88
Atom CA of residue 2
Atom CE1 of residue 15
Atom CB of residue 92
MET
SingletonModifier 2
Chain A
RestraintSet 22
Atom CA of residue 10
Atom ND2 of residue 103
P48
Atom OG of residue 36
Atom O of residue 4
Atom C of residue 35
Atom CA of residue 5
Atom CA of residue 4
Atom CB of residue 1
Atom CG of residue 35
Atom C of residue 104
Atom N of residue 88
Atom CA of residue 76
Atom CA of residue 4
UpdateRigidBodyMembers17
VAL
P74
LYS
Atom CD of residue 96
Atom C of residue 14
Atom CA of residue 47
Atom CG1 of residue 2
Atom O of residue 84
Atom OD1 of residue 59
P1135
Atom O of residue 80
Atom CB of residue 10
Model 7
TupleRestraint 4
Atom CB of residue 1
Atom C of residue 75
VAL
Atom CD2 of residue 3
Atom CZ of residue 5
P125
Atom CH2 of residue 111
Atom CG1 of residue 2
LYS
Atom O of residue 62
Atom O of residue 4
UnaryFunction0
Atom OE2 of residue 7
Atom CA of residue 40
CYS
Atom CA of residue 4
Atom OD2 of residue 52
Atom NE1 of residue 111
simple_input.pdb
Frag1
Atom C of residue 1
Atom CB of residue 51
Atom O of residue 88
Atom N of residue 3
AccumulateRigidBodyDerivatives17
UpdateRigidBodyMembers39
Atom CG1 of residue 92
Atom CD2 of residue 25
Chain A RigidBodyHierarchy 5
SampledDensityMap0
Atom N of residue 3
Atom CA of residue 9
Atom N of residue 104
P49
Atom CZ of residue 5
Atom CA of residue 78
Atom N of residue 34
Atom C of residue 5
Atom CA of residue 26
Atom O of residue 104
VAL
Atom C of residue 3
Atom C of residue 37
Atom CA of residue 94
Atom CA of residue 1
Atom CE of residue 96
Atom O of residue 14
Atom CA of residue 1
Atom C of residue 98
Atom ND2 of residue 59
Atom CB of residue 12
Atom C of residue 71
ASN
Atom C of residue 1
Atom N of residue 56
ConjugateGradients
Atom O of residue 75
Atom O of residue 4
Atom CB of residue 2
Atom C of residue 2
P251
ExcludedVolumeRestraint3
Atom C of residue 29
Atom CA of residue 5
Atom CA of residue 7
Atom CB of residue 64
Atom CD1 of residue 56
PHE
ListSingletonContainer8
Atom N of residue 37
Chain A
GridCPF
Atom CA of residue 100
Atom CA of residue 86
Atom OG1 of residue 51
Atom CA of residue 111
Atom CA of residue 31
Atom CD1 of residue 3
PHE
Atom C of residue 1
PHE
CYS
Atom N of residue 12
PHE
Atom CB of residue 45
PHE
PHE
Atom ND1 of residue 15
DistancePairScore 4
SingletonConstraint 2
Atom C of residue 3
PHE
RestraintSet 7
RestraintSet 23
Atom O of residue 98
Atom CA of residue 44
Atom N of residue 5
Atom CG of residue 12
Atom C of residue 19
Atom CG of residue 1
Atom CE1 of residue 3
Atom CD1 of residue 3
P5
Atom CB of residue 48
Atom CD1 of residue 108
LEU
Atom C of residue 3
Atom C of residue 81
Atom CD of residue 73
ASN
Atom C of residue 124
Atom O of residue 2
Atom CA of residue 128
Atom O of residue 29
Atom C of residue 4
Atom CB of residue 106
PairScore 0
Atom SG of residue 64
Atom NZ of residue 1
Atom CG of residue 1
Atom CD2 of residue 56
UnaryFunction24
Atom C of residue 5
ListSingletonContainer6
LYS
ConnectivityRestraint 2
Atom O of residue 1
LYS
Atom CD2 of residue 3
Atom C of residue 4
Atom O of residue 37
Atom CA of residue 5
Atom N of residue 112
Atom CA of residue 129
Atom CG of residue 45
Atom N of residue 1
Atom CA of residue 40
Atom O of residue 71
Atom CD2 of residue 15
Atom O of residue 10
Atom CA of residue 2
Atom CH2 of residue 63
Atom C of residue 121
ModelScoringFunction2
Atom N of residue 23
Atom CZ of residue 5
Atom CE1 of residue 3
Atom NE of residue 5
Atom NE2 of residue 15
P354
Atom CD2 of residue 3
Atom CG of residue 48
P43
Atom N of residue 26
Atom CD1 of residue 3
Atom CD2 of residue 108
Atom CA of residue 80
Atom O of residue 81
Atom C of residue 2
Atom CA of residue 2
ASN
Atom O of residue 124
Atom CB of residue 114
P12
Atom CD of residue 1
Atom CB of residue 2
Atom CZ of residue 5
Atom C of residue 76
Atom CB of residue 52
Atom CG of residue 106
Atom CD of residue 116
Atom N of residue 1
Atom CB of residue 29
Atom NZ of residue 33
TupleRestraint 8
Atom C of residue 47
Atom NH1 of residue 5
Atom CB of residue 2
PHE
Atom O of residue 5
GLY
Atom C of residue 31
Atom CA of residue 1
VAL
ConnectivityRestraint 3
P177
FixedRefiner3
Atom CE2 of residue 111
AccumulateRigidBodyDerivatives28
connectivity list
Atom CB of residue 5
Atom CG2 of residue 2
Atom CA of residue 120
ILE
Atom C of residue 6
Atom N of residue 8
Atom CA of residue 44
Atom N of residue 1
Atom N of residue 64
Atom C of residue 40
Atom O of residue 121
TYR
Atom CB of residue 84
P124
connectivity list
Atom CG2 of residue 51
VAL
Atom CZ of residue 5
Atom CA of residue 1
Atom CB of residue 80
P44
Atom CD2 of residue 3
Atom CE1 of residue 3
Atom N of residue 3
Atom CA of residue 37
Atom CA of residue 68
ARG
Atom C of residue 78
Atom CG2 of residue 2
Atom C of residue 26
Atom CG of residue 114
AccumulateRigidBodyDerivatives14
Atom CB of residue 62
P1 RigidBodyHierarchy 0
Atom O of residue 76
Atom N of residue 1
Atom CG of residue 52
Atom CA of residue 4
Atom CE of residue 116
Atom CB of residue 37
Chain A
Atom C of residue 94
Atom O of residue 3
Atom CG1 of residue 29
Atom C of residue 35
Atom N of residue 53
Atom O of residue 47
P51
Atom NH2 of residue 5
Chain1
LYS
MET
Atom N of residue 1
LYS
Atom CB of residue 88
Atom N of residue 72
Atom CA of residue 3
Atom CA of residue 105
Atom NE of residue 5
Atom CB of residue 5
Atom O of residue 3
Atom CA of residue 2
Atom CE3 of residue 111
Atom NE of residue 73
P51 RigidBodyHierarchy 6
Atom OE1 of residue 35
SoftSpherePairScore 3
Atom N of residue 105
Atom CG2 of residue 92
Atom O of residue 40
Atom NZ of residue 96
Atom CB of residue 14
ModelScoringFunction4
Atom CG of residue 84
Atom N of residue 60
Atom C of residue 100
Atom CB of residue 1
Fit restraint
Atom C of residue 86
Atom CB of residue 5
Atom C of residue 111
Atom SG of residue 80
Atom N of residue 16
Atom C of residue 1
Atom N of residue 4
connectivity list
P45
Atom N of residue 4
RestraintSet 8
Atom CA of residue 4
Atom CB of residue 75
DistancePairScore 8
LYS
Atom CA of residue 5
PHE
Atom CA of residue 59
Atom O of residue 78
Atom CG1 of residue 2
ARG
Atom N of residue 3
UpdateRigidBodyMembers2
Atom O of residue 26
VAL
Atom CG of residue 62
Atom C of residue 4
Atom NH1 of residue 5
Atom CE2 of residue 3
Atom O of residue 94
TYR
Atom C of residue 44
Atom N of residue 1
LYS
Atom CG1 of residue 88
Atom CA of residue 118
UnaryFunction6
Atom N of residue 2
GLY
Atom CA of residue 3
NormalizeRotation7
Atom C of residue 128
rigid bodies list
MET
Atom N of residue 93
LEU
Atom C of residue 1
Chain A RigidBodyHierarchy 4
Atom CG of residue 14
Atom CB of residue 98
SER
Atom C of residue 37
Atom O of residue 100
Atom CG of residue 1
Atom O of residue 86
Atom CA of residue 34
Atom CA of residue 3
Atom O of residue 111
Atom CG1 of residue 2
Atom O of residue 31
Atom CA of residue 3
GLY
UpdateRigidBodyMembers41
P46
Atom CG of residue 37
GLY
input.pdb
Atom CG of residue 75
Atom O of residue 5
Atom NH1 of residue 5
Atom CA of residue 5
Atom SD of residue 12
Atom C of residue 129
Atom C of residue 40
VAL
SER
GLY
Atom CB of residue 29
Atom CZ of residue 3
Atom C of residue 2
Atom N of residue 57
Atom O of residue 44
Atom CA of residue 1
simple_input.pdb
KClosePairsPairScore 1
Atom CE1 of residue 3
Atom NH1 of residue 5
Atom N of residue 65
Atom CB of residue 3
Atom C of residue 80
Atom CB of residue 3
Atom CZ of residue 5
Atom N of residue 34
Atom CA of residue 56
Atom C of residue 2
Atom CA of residue 12
P9
Atom CA of residue 3
Atom O of residue 128
Atom CA of residue 88
Atom CE1 of residue 15
Atom CG of residue 35
DiameterRestraint center
Atom CB of residue 3
Atom CB of residue 81
Atom CG1 of residue 98
P74 rigid body positions
ASP
Atom C of residue 2
Atom N of residue 7
Atom NH2 of residue 5
Atom C of residue 4
P47
Atom NE1 of residue 108
Atom CB of residue 5
Atom NH2 of residue 5
Atom CZ of residue 73
Atom CB of residue 124
Atom CG of residue 5
Atom CE of residue 12
Atom O of residue 129
Atom O of residue 40
Atom C of residue 120
Atom CA of residue 72
Atom CG1 of residue 29
Atom C of residue 5
Atom N of residue 5
P8
Atom OD1 of residue 48
Atom C of residue 44
GLN
VAL
Atom CG of residue 5
Atom CA of residue 1
Atom CA of residue 23
Atom CE2 of residue 3
Atom C of residue 2
Atom CB of residue 5
Atom N of residue 2
Atom CB of residue 127
PHE
P354
Atom NH2 of residue 5
GLY
Atom CA of residue 4
Atom CD of residue 1
Atom OD1 of residue 106
AccumulateRigidBodyDerivatives40
ASN
Atom O of residue 80
Atom CG of residue 3
PHE
Atom O of residue 37
Atom C of residue 19
P0
VAL
Atom O of residue 1
CYS
Atom CA of residue 26
Atom OD1 of residue 37
Atom CB of residue 121
SingletonModifier 3
Atom CB of residue 1
Atom CG of residue 3
Atom OG of residue 81
GLU
Atom N of residue 4
SampledDensityMap4
TupleRestraint 1
P48
Atom CA of residue 4
Atom N of residue 97
Atom C of residue 2
P124
Atom CG1 of residue 124
P1 RigidBodyHierarchy 7
Atom CA of residue 3
Atom O of residue 120
Atom CB of residue 76
Atom O of residue 5
Fit restraint
P7
ARG
Atom NZ of residue 116
Atom OD2 of residue 48
Atom O of residue 44
P8
Atom CA of residue 5
Atom CB of residue 47
Atom CZ2 of residue 111
Atom CZ of residue 3
VAL
VAL
Atom CD of residue 114
Atom C of residue 2
Atom CA of residue 2
Atom CB of residue 31
Atom OD1 of residue 52
Atom ND2 of residue 106
KClosePairsPairScore 4
Atom CG of residue 1
Atom CG2 of residue 29
Atom O of residue 102
Atom C of residue 59
Atom CA of residue 1
Atom CG2 of residue 2
Atom C of residue 2
Atom CA of residue 8
Atom O of residue 2
Atom CB of residue 40
Atom CG of residue 121
Atom CD of residue 68
Atom CG of residue 5
UpdateRigidBodyMembers5
GLY
DiameterRestraint1
Atom CZ of residue 5
Atom C of residue 72
P49
Atom C of residue 3
SingletonConstraint 3
LYS
VAL
Atom CG2 of residue 2
Atom O of residue 2
Atom CD1 of residue 84
Atom CE1 of residue 3
Atom CB of residue 78
Atom O of residue 2
Atom N of residue 1
Atom N of residue 27
Atom N of residue 81
Atom CA of residue 105
Atom SG of residue 76
Atom CE of residue 1
Atom CB of residue 5
P1
PHE
Atom CB of residue 94
P251 RigidBodyHierarchy 0
Atom OG1 of residue 47
Atom CZ3 of residue 111
ARG
Atom CB of residue 37
Atom N of residue 5
Atom C of residue 34
Atom C of residue 3
Atom CD of residue 5
Atom NE of residue 114
VAL
RigidCPF
Atom CD1 of residue 62
Atom N of residue 5
Atom OD2 of residue 52
Atom O of residue 4
Atom O of residue 1
Atom ND2 of residue 37
Atom N of residue 30
Atom N of residue 5
Atom O of residue 59
Atom C of residue 5
AccumulateRigidBodyDerivatives5
Atom CG2 of residue 88
Atom CA of residue 7
Atom CE2 of residue 3
Atom CB of residue 1
Atom C of residue 5
VAL
DistancePairScore 1
P14 rigid body positions
ASN
GLY
Atom OG1 of residue 40
Atom CA of residue 3
Atom CA of residue 53
Atom CA of residue 110
Atom CB of residue 100
Atom CD of residue 1
Atom CB of residue 86
Atom CB of residue 111
Chain A
Atom CA of residue 4
Atom NE2 of residue 15
Atom N of residue 4
ConjugateGradients
Atom NH1 of residue 5
Atom C of residue 56
Atom CG of residue 1
Atom CD of residue 5
Atom CD of residue 14
Atom C of residue 3
Atom CD2 of residue 84
Atom CG1 of residue 78
Atom C of residue 12
ASN
SER
Atom C of residue 4
Atom CA of residue 16
Atom C of residue 88
Atom CB of residue 1
Atom CE2 of residue 108
Atom CD of residue 1
Atom SG of residue 94
Atom CD1 of residue 75
Atom N of residue 4
Atom CB of residue 44
Atom CA of residue 60
ARG
Atom O of residue 34
Atom CD2 of residue 62
ARG
UnaryFunction8
Atom O of residue 69
Model 0
ARG
Atom NH1 of residue 73
UpdateRigidBodyMembers40
Atom CD1 of residue 88
GridCPF
Atom CB of residue 128
Atom CZ of residue 3
P304
Atom O of residue 72
ARG
Atom C of residue 3
Atom O of residue 68
KClosePairsPairScore 9
Atom N of residue 3
Atom C of residue 23
AccumulateRigidBodyDerivatives35
Atom OG of residue 100
Atom CE of residue 1
Atom OG of residue 86
UpdateRigidBodyMembers32
Atom CG of residue 111
Atom CD1 of residue 3
Atom N of residue 32
Atom N of residue 16
Atom NZ of residue 1
Atom CB of residue 2
Atom O of residue 56
Atom NE of residue 14
Atom CG2 of residue 98
Fit restraint scratch map
Atom CG of residue 37
Atom SG of residue 127
Atom NE of residue 5
Atom N of residue 13
Atom C of residue 3
Atom CB of residue 129
Atom N of residue 3
Atom CB of residue 40
Atom O of residue 88
RigidCPF
ARG
Atom CG of residue 1
Atom C of residue 26
Atom CE3 of residue 108
Atom CB of residue 5
Atom N of residue 38
Frag4
Atom CD2 of residue 75
Atom CB of residue 2
Atom CG of residue 44
Atom CA of residue 5
Atom C of residue 7
Atom CG2 of residue 29
Atom CA of residue 5
Atom N of residue 117
Atom CA of residue 65
Atom CB of residue 80
Atom CD1 of residue 3
Atom O of residue 3
Atom N of residue 1
Atom CG of residue 3
Atom CA of residue 3
Atom CG of residue 128
Atom NH1 of residue 5
PHE
ModelScoringFunction3
Atom CA of residue 57
Atom CD1 of residue 3
PHE
Atom O of residue 4
Atom O of residue 23
Atom C of residue 3
Atom O of residue 3
Atom O of residue 4
Atom CG1 of residue 2
Atom N of residue 4
Atom CE of residue 1
Atom NH2 of residue 5
Atom CA of residue 34
Atom N of residue 82
Atom NH2 of residue 5
Atom CD1 of residue 98
Atom CB of residue 1
Atom O of residue 5
LYS
Atom O of residue 3
Atom CG of residue 129
Atom C of residue 4
Atom OG1 of residue 40
Atom CB of residue 120
Atom N of residue 49
Atom C of residue 8
Atom CB of residue 44
Atom CA of residue 64
Atom O of residue 26
Atom N of residue 103
Atom CG1 of residue 2
Atom CG2 of residue 124
P4
Chain A
Atom CB of residue 72
GLY
Atom N of residue 30
Atom N of residue 107
Atom CA of residue 93
GLY
Atom SG of residue 80
Atom CD2 of residue 3
Atom NE of residue 5
Atom C of residue 3
Atom NH2 of residue 73
Atom CD1 of residue 83
Atom O of residue 12
ConnectivityRestraint 1
Atom C of residue 105
Atom O of residue 4
Atom C of residue 4
Atom CD2 of residue 3
Atom CA of residue 3
Atom N of residue 5
Atom OD1 of residue 37
PHE
Atom CZ of residue 5
P303 rigid body positions
Atom C of residue 3
PHE
Chain A
P1 rigid body positions
ExcludedVolumeRestraint5
UnaryFunction20
PHE
simple_input.pdb
Atom CD of residue 121
ALA
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom CA of residue 5
Atom CA of residue 1
Atom CG1 of residue 120
Chain A
GLY
Atom CG of residue 44
Atom C of residue 2
ASN
Atom C of residue 53
Atom CH2 of residue 111
Atom C of residue 110
Atom CD1 of residue 124
Atom CZ of residue 114
P5
Atom NH2 of residue 5
Atom N of residue 77
Atom N of residue 53
Atom CG of residue 5
ALA
Atom CB of residue 3
P354
CYS
Atom CA of residue 97
PHE
Atom CG2 of residue 47
Atom CB of residue 59
Atom CD2 of residue 83
Atom C of residue 3
Atom CA of residue 27
Atom CD of residue 45
ALA
Atom O of residue 105
Atom C of residue 16
GLY
Atom N of residue 2
Atom NZ of residue 1
Atom CB of residue 3
Model 15
Atom CE2 of residue 3
Atom C of residue 60
P15
Chain A rigid body positions
Atom N of residue 128
PHE
Model 20
Atom CZ of residue 3
Atom CD2 of residue 3
Atom CG2 of residue 40
Atom OE1 of residue 121
Atom CG of residue 5
Atom N of residue 85
Atom CE1 of residue 3
Atom CB of residue 3
Atom CA of residue 5
Atom OG of residue 72
Atom O of residue 2
P11
Atom O of residue 53
Atom N of residue 112
ARG
Atom N of residue 1
Atom O of residue 110
Atom CB of residue 34
P10
Atom NE1 of residue 62
Atom N of residue 4
ASN
TYR
Atom CD of residue 5
GLY
Atom N of residue 95
Atom CE2 of residue 3
Chain A
Atom N of residue 48
Atom ND2 of residue 37
Atom CG of residue 59
Atom C of residue 3
Atom O of residue 124
Atom O of residue 3
P176
Atom N of residue 89
KClosePairsPairScore 2
Atom CG2 of residue 2
AccumulateRigidBodyDerivatives32
CYS
Atom O of residue 16
GLY
GridCPF
Atom O of residue 8
DiameterRestraint center
Atom CA of residue 28
Atom CG of residue 3
P1 RigidBodyHierarchy 9
P0
Atom O of residue 60
P16
Atom NZ of residue 1
ARG
connectivity list
Atom C of residue 65
Atom CZ2 of residue 108
Atom N of residue 41
Atom CB of residue 56
AccumulateRigidBodyDerivatives42
Atom CZ of residue 5
Atom C of residue 3
SER
Atom N of residue 74
Atom N of residue 101
Chain A RigidBodyHierarchy 11
LeavesRefiner0
Atom CB of residue 12
Atom N of residue 87
Atom C of residue 3
Atom CG of residue 3
Atom CD1 of residue 111
Atom C of residue 1
Atom CB of residue 88
Atom CD of residue 1
P253
Atom CD of residue 1
Atom CB of residue 2
Atom CA of residue 38
Atom C of residue 57
Atom N of residue 76
Atom CA of residue 5
Atom CG of residue 34
Atom CA of residue 3
Atom O of residue 67
P14 rigid body positions
RestraintSet 13
ALA
Atom C of residue 34
SER
Atom OD1 of residue 44
Atom CB of residue 3
THR
Atom CE1 of residue 3
Atom CA of residue 7
Atom C of residue 64
UnaryFunction19
Chain A RigidBodyHierarchy 13
UpdateRigidBodyMembers9
Atom O of residue 1
Atom CB of residue 23
Atom CA of residue 4
Atom C of residue 4
Atom CD of residue 128
Atom C of residue 4
Atom N of residue 73
simple_input.pdb
Atom CA of residue 4
Atom C of residue 93
Atom CG2 of residue 2
Atom O of residue 65
Atom CZ3 of residue 108
P355
Atom CG of residue 56
Atom O of residue 3
Atom N of residue 99
ASP
Atom CG of residue 12
ASP
Atom CB of residue 1
Atom CD2 of residue 111
P6
Atom C of residue 3
Atom NE of residue 45
Atom CA of residue 5
simple_input.pdb
Atom CG1 of residue 88
ConnectivityRestraint 4
Atom CE of residue 1
Atom C of residue 5
Atom CZ of residue 3
Atom O of residue 57
CYS
P1
P1 RigidBodyHierarchy 5
Atom C of residue 5
Atom CG2 of residue 2
simple_input.pdb
Model 18
Atom N of residue 38
Atom C of residue 4
Atom N of residue 3
Atom CD1 of residue 129
Atom CG2 of residue 40
ARG
CYS
P2
SoftSpherePairScore 5
Atom CG of residue 5
Atom CE1 of residue 3
Atom O of residue 34
UpdateRigidBodyMembers7
Atom CA of residue 36
Atom ND2 of residue 44
Atom CZ of residue 3
Atom CA of residue 13
Atom NH1 of residue 114
Atom OD1 of residue 19
Atom NE of residue 5
Atom CA of residue 11
Atom O of residue 64
Atom N of residue 81
Atom CA of residue 103
Chain A
Atom CD of residue 5
Atom CG of residue 23
Atom O of residue 3
Atom CE2 of residue 3
Atom NE of residue 128
GLY
Atom O of residue 4
AccumulateRigidBodyDerivatives21
Atom O of residue 93
UpdateRigidBodyMembers31
Atom CB of residue 8
Atom N of residue 3
Atom CG1 of residue 2
Atom C of residue 97
Atom C of residue 4
Atom CA of residue 82
VAL
The rigid members refiner
Atom C of residue 27
UpdateRigidBodyMembers1
Atom O of residue 3
Atom C of residue 5
Atom O of residue 5
Atom N of residue 3
LYS
Atom N of residue 125
GLY
Atom CZ of residue 3
P74
PHE
Atom C of residue 4
RigidCPF
Atom O of residue 2
Atom CD2 of residue 129
Atom CA of residue 4
Atom N of residue 41
Atom CG2 of residue 120
Atom OD1 of residue 44
Atom C of residue 28
P354
Atom CA of residue 6
Atom CB of residue 3
ASN
Atom N of residue 84
Atom O of residue 3
Atom NH2 of residue 114
Atom CE2 of residue 62
Atom CB of residue 105
P74
ARG
P2
Atom CE of residue 1
Atom CA of residue 49
SER
P9
Atom NE of residue 5
AccumulateRigidBodyDerivatives1
Atom CA of residue 107
Atom N of residue 4
Atom CA of residue 122
Atom CA of residue 30
Atom NE2 of residue 121
Atom O of residue 97
Atom C of residue 20
GLY
PHE
Atom N of residue 2
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Atom CE1 of residue 3
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restrainer module unit tests succeeded
/opt/local/include/boost/pending/disjoint_sets.hpp: In member function 'size_t boost::disjoint_sets::count_sets(ElementIterator, ElementIterator) [with ElementIterator = boost::range_detail::integer_iterator, RankPA = int*, ParentPA = int*, FindCompress = boost::find_with_full_path_compression]':
build/include/IMP/multifit/density_analysis.h:112: instantiated from 'bool IMP::multifit::DensitySegmentationByCommunities::Done::operator()(double, const B&, const IMP::multifit::DensityGraph&) [with B = boost::detail::edge_desc_impl]'
/opt/local/include/boost/graph/bc_clustering.hpp:133: instantiated from 'void boost::betweenness_centrality_clustering(MutableGraph&, Done, EdgeCentralityMap, VertexIndexMap) [with MutableGraph = boost::adjacency_list, boost::property, boost::no_property, boost::listS>, Done = IMP::multifit::DensitySegmentationByCommunities::Done, EdgeCentralityMap = boost::adj_list_edge_property_map, boost::edge_centrality_t>, VertexIndexMap = boost::vec_adj_list_vertex_id_map, size_t>]'
/opt/local/include/boost/graph/bc_clustering.hpp:146: instantiated from 'void boost::betweenness_centrality_clustering(MutableGraph&, Done, EdgeCentralityMap) [with MutableGraph = IMP::multifit::DensityGraph, Done = IMP::multifit::DensitySegmentationByCommunities::Done, EdgeCentralityMap = boost::adj_list_edge_property_map, boost::edge_centrality_t>]'
modules/multifit/src/density_analysis.cpp:194: instantiated from here
/opt/local/include/boost/pending/disjoint_sets.hpp:96: warning: comparison between signed and unsigned integer expressions
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
build/include/IMP/multifit/WeightedExcludedVolumeRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::multifit::WeightedExcludedVolumeRestraint::create_scoring_function(double, double) const':
build/include/IMP/multifit/WeightedExcludedVolumeRestraint.h:46: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::multifit::WeightedExcludedVolumeRestraint]' being inlined
build/include/IMP/multifit/ComplementarityRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::multifit::ComplementarityRestraint::create_scoring_function(double, double) const':
build/include/IMP/multifit/ComplementarityRestraint.h:95: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::multifit::ComplementarityRestraint]' being inlined
build/include/IMP/multifit/RadiusOfGyrationRestraint.h: In member function 'virtual IMP::ScoringFunction* IMP::multifit::RadiusOfGyrationRestraint::create_scoring_function(double, double) const':
build/include/IMP/multifit/RadiusOfGyrationRestraint.h:37: warning: control may reach end of non-void function 'IMP::ScoringFunction* IMP::internal::create_scoring_function(RestraintType*, double, double, std::string) [with RestraintType = IMP::multifit::RadiusOfGyrationRestraint]' being inlined
modules/multifit/src/symmetry_utils.cpp:344: warning: unused parameter 'dn_symm_deg'
modules/multifit/src/symmetry_utils.cpp:344: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:439: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:524: warning: unused parameter 'dn'
modules/multifit/src/CnSymmAxisDetector.cpp:164: warning: unused parameter 'symm_vec'
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/multifit/examples/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded=cgal --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/examples/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/examples/patchdock_multifit.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/examples/fast-test.results.out) > /dev/null
Run example patchdock_multifit.py ... --patchdock_binary is required
in 4.758s ... ok
----------------------------------------------------------------------
Ran 1 test in 4.758s
OK
multifit examples succeeded
tempfile /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp modules/multifit/test/fast-test.results.result
mkdir -p /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; cd /private/tmp/nightly-build-17099/imp-SVN.r14111/build/tmp; (/private/tmp/nightly-build-17099/imp-SVN.r14111/tools/imppy.sh python /private/tmp/nightly-build-17099/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.multifit --pycoverage=no --results=/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/fast-test.results /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_add_surface_index.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_anchor_graph.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_connected_components.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_geometric_hash.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_mol_coarsening.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_radius_of_gyration_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_read_anchors_data.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_read_fitting_solutions.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_read_settings.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_settings_data.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_surface_sample_protein.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint.py /private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint_3.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/multifit_cpp_test_programs.py /private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_multifit_standards.py >/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/fast-test.results.out) > /dev/null
Check that the surface indexes are added correctly ... in 1.909s ... ok
test_anchor_graph_formation (_test_2.AnchorGraphTest) ... ok
test_probability_calculation (_test_2.AnchorGraphTest) ... ok
test connected components ... in 1.903s ... ok
test_neighbors (_test_4.GeometricHashTest) ... in 2.154s ... ok
test_coarsening (_test_5.MolCoarseningTests) ... in 63.204s ... ok
test_density_coarsening (_test_5.MolCoarseningTests) ... in 64.040s ... 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 ... in 1.330s ... ok
Check that weighted excluded volume restraint works ... in 45.091s ... ok
Check that weighted excluded volume restraint 3 works ... FAIL
in 10.136s ... Running C++ test multifittest_geometric_complementarity ... skipped 'subprocess module unavailable'
Running C++ test multifittest_get_candidate_transformations_match_1st_surface_to_2nd ... skipped 'subprocess module unavailable'
Test that module class names follow the standards ... FAIL
Test that module function names follow the standards ... FAIL
Test all objects have show ... FAIL
Test that module classes are either values or objects ... FAIL
======================================================================
ERROR: Check correct reading of proteomics file
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py", line 18, in test_run
self.prot_data = IMP.multifit.read_proteomics_data(self.data_file)
File "/private/tmp/nightly-build-17099/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 "/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py", line 57, in test_fft_based_rigid_fitting
IMP.algebra.get_uniform_cover_rotations_3d(10),1,False,False)
File "/private/tmp/nightly-build-17099/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 "/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py", line 96, in test_fft_based_rigid_fitting_translation_with_gmm
[IMP.algebra.get_identity_rotation_3d()],10,False,True)
File "/private/tmp/nightly-build-17099/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 "/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py", line 29, in test_clustering
IMP.multifit.fitting_clustering(mh,ts,out_ts,3,100,30)
AttributeError: 'module' object has no attribute 'fitting_clustering'
======================================================================
FAIL: Check that weighted excluded volume restraint 3 works
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint_3.py", line 63, in test_weighted_excluded_volume_restraint
self.assertEqual(evr.evaluate(False), 0)
AssertionError: 10.319910118391132 != 0
======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_multifit_standards.py", line 17, in test_classes
spelling_exceptions)
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 358, in assertClassNames
"All IMP classes should be properly spelled. The following are not: %s. Add words to the spelling_exceptions variable of the IMPModuleTest if needed." \
AssertionError: 3 != 0 : All IMP classes should be properly spelled. The following are not: ['MolCnSymmAxisDetector', 'MolCnSymmAxisDetector', 'ProteomicsData']. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.
======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_multifit_standards.py", line 22, in test_functions
spelling_exceptions)
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 453, in assertFunctionNames
message)
AssertionError: 109 != 0 : All IMP methods should have lower case names separated by underscores and beginning with a verb, preferably one of ['add', 'remove', 'get', 'set', 'create', 'destroy']. Each of the words should be a properly spelled english word. The following do not (given our limited list of verbs that we check for):
ComponentHeader.get_cmm_ap_fn
ComponentHeader.set_cmm_ap_fn
DensitySegmentationByCommunities.build_density_graph
DensitySegmentationByCommunities.calculate_communities
DensitySegmentationByCommunities.calculate_connected_components
DoubleVector.append
DoubleVector.assign
DoubleVector.back
DoubleVector.begin
DoubleVector.capacity
DoubleVector.empty
DoubleVector.end
DoubleVector.erase
DoubleVector.front
DoubleVector.insert
DoubleVector.iterator
DoubleVector.rbegin
DoubleVector.rend
DoubleVector.resize
DoubleVector.size
FFTFitting.fit
FFTFitting.fit_local_fitting
FittingSolutionRecord.get_rmsd_to_reference
FittingSolutionRecord.set_rmsd_to_reference
FittingSolutionRecords.append
FittingSolutionRecords.assign
FittingSolutionRecords.back
FittingSolutionRecords.begin
FittingSolutionRecords.capacity
FittingSolutionRecords.empty
FittingSolutionRecords.end
FittingSolutionRecords.erase
FittingSolutionRecords.front
FittingSolutionRecords.insert
FittingSolutionRecords.iterator
FittingSolutionRecords.rbegin
FittingSolutionRecords.rend
FittingSolutionRecords.resize
FittingSolutionRecords.size
GeometricHash2.Map
GeometricHash2.begin
GeometricHash2.bucket
GeometricHash2.end
GeometricHash2.neighbors
GeometricHash2.neighbors_data
GeometricHash2.resolution
GeometricHash3.Map
GeometricHash3.begin
GeometricHash3.bucket
GeometricHash3.end
GeometricHash3.neighbors
GeometricHash3.neighbors_data
GeometricHash3.resolution
GeometricHash4.Map
GeometricHash4.begin
GeometricHash4.bucket
GeometricHash4.end
GeometricHash4.neighbors
GeometricHash4.neighbors_data
GeometricHash4.resolution
GeometricHash5.Map
GeometricHash5.begin
GeometricHash5.bucket
GeometricHash5.end
GeometricHash5.neighbors
GeometricHash5.neighbors_data
GeometricHash5.resolution
IntVector.append
IntVector.assign
IntVector.back
IntVector.begin
IntVector.capacity
IntVector.empty
IntVector.end
IntVector.erase
IntVector.front
IntVector.insert
IntVector.iterator
IntVector.rbegin
IntVector.rend
IntVector.resize
IntVector.size
MolCnSymmAxisDetector.calc_symm_score
MolCnSymmAxisDetector.get_pca
MolCnSymmAxisDetector.init_from_protein
ProbabilisticAnchorGraph.are_probabilities_for_particle_set
ProteomicsData.add_ev_pair
ProteomicsData.add_xlink_interaction
ProteomicsData.get_ev_pair
ProteomicsData.get_interaction_linker_lenght
ProteomicsData.get_num_allowed_violated_ev
ProteomicsData.get_num_allowed_violated_xlinks
ProteomicsData.get_number_of_ev_pairs
ProteomicsData.get_number_of_xlinks
ProteomicsData.get_xlink
ProteomicsData.get_xlink_length
ProteomicsData.get_xlink_part_of_filter
ProteomicsData.set_num_allowed_violated_ev
ProteomicsData.set_num_allowed_violated_xlinks
SettingsData.get_asmb_fn
SettingsData.set_asmb_fn
SymmetricFit.set_patchdock_executable
SymmetricFit.set_patchdock_log_file
SymmetricFit.set_patchdock_log_level
SymmetricFit.set_prot_lib_file
SymmetricFit.set_protein_pdb_file
TransformationClustering.cluster_by_rmsd
TransformationClustering.cluster_by_rotation
TransformationClustering.cluster_by_transformation
If there is a good reason for them not to (eg it does start with a verb, just one with a meaning that is not covered by the normal list), add them to the function_name_exceptions variable in the IMPModuleTest call. Otherwise, please fix. The current verb list is ['add', 'remove', 'get', 'set', 'evaluate', 'show', 'create', 'destroy', 'push', 'pop', 'write', 'read', 'do', 'show', 'load', 'save', 'reset', 'clear', 'handle', 'update', 'apply', 'optimize', 'reserve', 'dump', 'propose', 'setup', 'teardown', 'visit', 'find', 'run', 'swap', 'link']
Misspelled words: cmm, ev, rmsd, lenght, prot, xlink, xlinks, asmb, pdb, pca, patchdock. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.
======================================================================
FAIL: Test all objects have show
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_multifit_standards.py", line 26, in test_show
return self.assertShow(IMP.multifit, exceptions)
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 478, in assertShow
message)
AssertionError: 15 != 0 : All IMP classes should support show and __str__. The following do not:
DensitySegmentationByCommunities
DoubleVector
FFTFitting
FFTFittingOutput
FFTScore
FittingSolutionRecords
GeometricHash2
GeometricHash3
GeometricHash4
GeometricHash5
IntVector
ProteinRecordData
RotScore
SymmetricFit
TransformationClustering
If there is a good reason for them not to, add them to the show_exceptions variable in the IMPModuleTest call. Otherwise, please fix.
======================================================================
FAIL: Test that module classes are either values or objects
----------------------------------------------------------------------
Traceback (most recent call last):
File "/private/tmp/nightly-build-17099/imp-SVN.r14111/build/test/test_multifit_standards.py", line 12, in test_value_objects
return self.assertValueObjects(IMP.multifit,exceptions)
File "/private/tmp/nightly-build-17099/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 194.945s
FAILED (failures=5, errors=4, skipped=2)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CA of residue 36
Atom CA of residue 100
Atom CD1 of residue 36
LYS
Atom CE1 of residue 24
Atom O of residue 54
LEU
Atom N of residue 94
Atom CB of residue 18
GLU
Atom CA of residue 455
ARG
Atom N of residue 78
Atom CA of residue 20
Atom CD1 of residue 64
Atom CA of residue 2659
Atom CA of residue 72
Atom CG of residue 93
Atom SD of residue 36
ASN
Atom O of residue 126
Atom CA of residue 75
Atom CB of residue 10
Atom CB of residue 130
Atom CA of residue 81
Atom CG of residue 40
Atom CA of residue 70
Atom CA of residue 547
PRO
Atom CA of residue 48
Atom CG of residue 67
Atom CA of residue 149
Atom CA of residue 439
Atom CG of residue 46
VAL
Atom CA of residue 2632
ASN
Atom CA of residue 111
Atom CA of residue 511
Atom OD2 of residue 30
Atom CD1 of residue 120
Atom CD of residue 8
GLY
LYS
TYR
PHE
Atom O of residue 44
Atom N of residue 71
Atom C of residue 103
Atom CA of residue 114
LEU
Atom CB of residue 43
PRO
THR
Atom CB of residue 22
Atom CA of residue 21
GLN
ALA
PRO
Atom NZ of residue 74
Atom CD2 of residue 36
Atom ND2 of residue 40
Atom CA of residue 47
LEU
ASN
Atom N of residue 19
ALA
Atom CA of residue 88
Atom CA of residue 146
LEU
LYS
Atom CD2 of residue 64
Atom CA of residue 52
Atom OE2 of residue 84
Atom CE of residue 36
MET
Atom CA of residue 48
Atom CG of residue 130
Atom CA of residue 134
ILE
Atom CA of residue 32
Atom O of residue 61
Atom CG of residue 13
Atom CG of residue 81
Atom CB of residue 37
ASN
Atom CA of residue 69
GLU
Atom CA of residue 10
Atom C of residue 107
Atom CD2 of residue 120
Atom OE2 of residue 49
Atom CA of residue 53
ILE
Atom NE2 of residue 20
Atom N of residue 144
Atom CA of residue 144
ILE
Atom CA of residue 71
Atom O of residue 103
Atom NH1 of residue 63
Atom CA of residue 34
Atom CG of residue 43
Atom C of residue 78
Atom CG1 of residue 22
Atom CB of residue 149
Atom CA of residue 76
Atom CA of residue 2651
Atom NE of residue 8
Atom CA of residue 2631
Atom NZ of residue 76
GLN
Atom CA of residue 488
Atom CA of residue 7
Atom CG2 of residue 96
Atom CE1 of residue 77
Model 30
ILE
Atom CA of residue 86
LEU
Atom CB of residue 61
Atom CA of residue 117
1z5s_A.pdb
Atom N of residue 40
Atom OE2 of residue 85
Atom CG of residue 37
ARG
Atom CA of residue 46
Atom CA of residue 491
Atom O of residue 107
Atom CA of residue 122
GLU
LYS
GLN
Atom CA of residue 37
Atom CA of residue 117
Atom CA of residue 88
Atom N of residue 21
TYR
Atom CA of residue 156
Atom NH2 of residue 63
Atom CA of residue 51
Atom N of residue 11
Atom CA of residue 559
Atom CA of residue 85
Atom O of residue 78
Atom N of residue 110
VAL
Atom NH1 of residue 17
Atom CA of residue 56
CYS
ALA
Atom CA of residue 157
Atom CA of residue 124
CYS
Atom CA of residue 83
Atom C of residue 57
Atom CA of residue 86
Atom CA of residue 114
Atom CA of residue 63
Atom CD of residue 13
Atom CA of residue 548
Atom CA of residue 577
Atom CA of residue 65
Atom CD1 of residue 81
Atom CA of residue 121
Atom CA of residue 77
Atom C of residue 29
LYS
Atom CA of residue 587
GLU
ALA
GLY
Atom CD1 of residue 96
Atom CA of residue 123
Atom CA of residue 44
Atom CE2 of residue 24
VAL
Atom CD of residue 92
GLN
THR
VAL
Atom CD1 of residue 137
Atom CG2 of residue 57
ASN
Atom CA of residue 122
Atom NE2 of residue 29
Atom CA of residue 516
LYS
Atom CA of residue 49
Atom CA of residue 86
LYS
GLY
Atom O of residue 6
LYS
Atom C of residue 70
Atom NH2 of residue 17
Atom CD of residue 23
LYS
ILE
Atom CA of residue 19
Atom CB of residue 54
Atom O of residue 57
GLY
VAL
Atom O of residue 29
Atom C of residue 148
THR
Atom N of residue 75
Atom CB of residue 126
Atom CZ of residue 24
Atom CA of residue 475
Atom OE1 of residue 92
Atom C of residue 114
Atom CA of residue 52
Atom CD2 of residue 137
Atom N of residue 58
LEU
Atom CA of residue 115
Atom CD of residue 93
Atom N of residue 85
ILE
Atom CA of residue 2670
Atom N of residue 31
Atom CA of residue 453
Atom C of residue 88
Atom OD1 of residue 67
PHE
Atom CA of residue 101
Atom CD of residue 46
Atom CB of residue 44
LEU
Atom C of residue 134
Atom C of residue 32
ASP
Atom O of residue 70
GLN
Atom N of residue 50
Atom CA of residue 147
PRO
Atom CA of residue 456
MET
Atom C of residue 69
Atom CA of residue 2660
Atom CA of residue 73
VAL
Atom CE1 of residue 36
Atom CA of residue 76
Atom CE of residue 23
THR
Atom CG of residue 54
Atom CA of residue 82
Atom CA of residue 94
Atom CD2 of residue 81
Atom CA of residue 101
Atom CA of residue 49
Atom CE1 of residue 64
Atom C of residue 144
Atom CA of residue 440
ARG
GLN
Atom N of residue 37
CYS
Atom CG of residue 126
Atom CA of residue 2633
Atom O of residue 114
GLU
Atom CA of residue 112
Atom CA of residue 512
Atom CD2 of residue 9
ASP
LYS
LYS
PRO
ALA
Atom OE1 of residue 93
GLU
Atom CD of residue 130
GLN
LEU
ASN
SER
Atom N of residue 121
Atom O of residue 88
Atom N of residue 86
Atom OD2 of residue 67
LEU
Atom N of residue 47
Atom CG of residue 44
PRO
ASN
Atom CA of residue 48
Atom CB of residue 103
Atom O of residue 134
Atom O of residue 32
VAL
Atom CA of residue 549
ARG
SER
ASN
Atom O of residue 69
VAL
GLN
Atom CA of residue 53
LEU
Atom CA of residue 49
Atom CA of residue 36
Atom ND1 of residue 43
MET
Atom CG2 of residue 22
Atom C of residue 117
GLU
Atom CA of residue 30
Atom O of residue 144
ASN
Atom C of residue 51
Atom CG of residue 61
Atom CB of residue 9
PRO
Atom C of residue 56
Atom CA of residue 15
Atom CB of residue 107
Atom CA of residue 72
Atom N of residue 64
Atom OE1 of residue 130
Atom C of residue 63
ASN
ASP
Atom C of residue 77
Atom CD of residue 37
Atom N of residue 30
Atom C of residue 123
Atom CA of residue 2652
Atom CG of residue 103
Atom CB of residue 78
Atom CA of residue 2632
Atom C of residue 41
Atom CA of residue 38
Atom CA of residue 489
Atom CA of residue 12
Atom CA of residue 8
Atom C of residue 49
ILE
Atom CA of residue 87
Atom CA of residue 71
LYS
Atom C of residue 86
Atom CD2 of residue 43
PRO
Atom CD1 of residue 22
Atom CA of residue 118
Atom O of residue 117
Atom CA of residue 144
Atom N of residue 97
Atom CA of residue 47
Atom CA of residue 492
Atom O of residue 51
Atom CA of residue 123
GLU
Atom N of residue 148
SER
Atom N of residue 10
Atom CA of residue 38
Atom CA of residue 89
Atom O of residue 56
Atom CA of residue 157
Atom CG1 of residue 107
PHE
Atom CA of residue 560
Atom CA of residue 86
Atom O of residue 63
ASP
Atom CA of residue 19
ARG
Atom N of residue 82
LEU
Atom O of residue 77
Atom CE of residue 37
ASP
Atom N of residue 18
TYR
ASP
Atom O of residue 123
Atom CA of residue 125
LYS
Atom CA of residue 84
MET
Atom CA of residue 11
Atom CG of residue 78
Atom CA of residue 87
Atom CA of residue 115
Atom CA of residue 578
Atom CA of residue 66
Atom CA of residue 122
LYS
PHE
ILE
Atom CA of residue 53
Atom O of residue 49
Atom CA of residue 45
Atom N of residue 25
Atom O of residue 86
LEU
Atom CB of residue 57
ILE
PHE
MET
Atom CB of residue 29
Atom CA of residue 123
rigid bodies list
LEU
GLY
Atom CE2 of residue 36
Atom NE2 of residue 92
Atom CA of residue 110
Atom CE1 of residue 137
PRO
Atom CA of residue 22
Atom CE2 of residue 64
LYS
Atom C of residue 94
Atom CA of residue 550
Atom CB of residue 90
Atom C of residue 101
LYS
LYS
ASN
Atom CA of residue 37
Atom CB of residue 70
LYS
LEU
LYS
GLN
VAL
Atom CA of residue 476
Atom NZ of residue 23
Atom CG of residue 57
Atom CA of residue 53
Atom CD of residue 61
Atom CA of residue 10
Atom CA of residue 116
Atom OG1 of residue 29
SER
Atom CZ of residue 36
ALA
Atom CD of residue 54
Atom CB of residue 114
Atom CA of residue 2671
Atom CA of residue 454
Atom CE of residue 146
Atom CZ of residue 64
ALA
Atom CA of residue 102
Atom OE2 of residue 93
Atom CD of residue 126
LYS
VAL
Atom O of residue 94
Atom CB of residue 88
Atom CA of residue 148
THR
Atom CA of residue 457
Atom CG1 of residue 90
Atom O of residue 101
ALA
Atom N of residue 68
Atom CB of residue 78
Atom CA of residue 2661
Atom CA of residue 74
GLY
Atom O of residue 40
TYR
Atom CA of residue 75
Atom CA of residue 77
Atom CB of residue 134
Atom CB of residue 32
Atom CG of residue 70
THR
Atom CB of residue 69
Atom CA of residue 449
ASP
Atom CA of residue 85
Atom CD1 of residue 44
Atom CA of residue 2634
PRO
Atom CA of residue 113
Atom CA of residue 513
Atom CA of residue 31
Atom NE of residue 61
Atom CD of residue 147
VAL
VAL
Atom OE1 of residue 78
PHE
SER
Atom CB of residue 144
PRO
Atom OE1 of residue 54
Atom CG of residue 114
LEU
VAL
TYR
Atom CA of residue 50
Atom CA of residue 532
ILE
ILE
Atom OE1 of residue 126
Atom CA of residue 49
Atom C of residue 71
ASN
Atom NE2 of residue 130
TYR
HIS
Atom CG of residue 88
GLU
TYR
Atom C of residue 144
Atom CA of residue 54
Atom CA of residue 37
PRO
THR
Atom CG of residue 134
Atom CG of residue 32
PRO
Atom CG of residue 69
Atom CA of residue 31
GLY
Atom CA of residue 441
Atom CD2 of residue 44
Atom CD1 of residue 103
Atom CE1 of residue 43
Atom N of residue 23
Atom CA of residue 58
Atom C of residue 19
Atom CA of residue 121
Atom CA of residue 86
Atom CG of residue 144
Atom CA of residue 73
Atom CB of residue 51
Atom C of residue 11
Atom CA of residue 551
Atom N of residue 149
Atom CG of residue 78
Atom N of residue 57
Atom CA of residue 2653
Atom O of residue 71
Atom CA of residue 38
ARG
Atom N of residue 93
Atom CA of residue 2633
Atom CB of residue 63
Atom CE2 of residue 137
Atom CG1 of residue 4
Atom CA of residue 39
Atom CB of residue 77
Atom NZ of residue 37
Atom CA of residue 490
Atom O of residue 144
Atom CA of residue 9
LYS
Atom CA of residue 34
GLY
Atom CB of residue 123
Atom CG2 of residue 107
Atom CA of residue 88
VAL
Atom C of residue 110
TRP
Atom OE2 of residue 78
PRO
Atom CA of residue 48
Atom CB of residue 49
Atom CA of residue 493
Atom CD2 of residue 103
Atom CB of residue 86
Atom CA of residue 124
Atom CD of residue 78
GLU
SER
LYS
Atom C of residue 10
Atom O of residue 19
Atom CA of residue 39
ILE
Atom CA of residue 90
Atom CA of residue 30
Atom N of residue 24
Atom CG of residue 51
Atom CA of residue 561
Atom CA of residue 87
VAL
Atom CA of residue 82
ILE
VAL
LYS
ASN
Atom CA of residue 47
Atom CA of residue 126
PHE
TRP
Atom CA of residue 85
GLU
Atom CA of residue 88
Atom CA of residue 116
Atom CG of residue 63
Atom CZ of residue 137
Atom CA of residue 579
Atom CA of residue 67
Atom CA of residue 123
Atom CG of residue 77
Atom CA of residue 97
Atom N of residue 94
Atom CG of residue 123
Atom CD1 of residue 107
Atom CA of residue 46
Atom CA of residue 64
LEU
LEU
Atom O of residue 110
Atom CA of residue 124
Atom CG of residue 21
ALA
TYR
Atom N of residue 50
Atom N of residue 37
Atom CG1 of residue 86
ILE
Atom CE of residue 78
PHE
Atom CA of residue 533
Atom CD of residue 78
Atom N of residue 65
Atom C of residue 75
LYS
LEU
LEU
Atom CD1 of residue 57
Atom CG2 of residue 29
Atom CA of residue 52
Atom C of residue 85
VAL
Atom C of residue 31
Atom CB of residue 94
VAL
GLY
ARG
Atom CB of residue 101
ASN
Atom CA of residue 38
GLN
Atom CA of residue 477
Atom N of residue 131
Atom O of residue 11
Atom CA of residue 54
Atom C of residue 50
Atom CA of residue 117
Atom CG2 of residue 90
Atom CA of residue 18
Atom CA of residue 19
LYS
ASP
Model 0
Atom CA of residue 2672
Atom CD of residue 70
Atom CA of residue 455
Atom CZ of residue 61
Atom CA of residue 552
Atom O of residue 76
LEU
Atom CA of residue 103
Atom C of residue 37
Atom O of residue 75
LEU
Atom CA of residue 25
Atom CA of residue 52
Atom OE2 of residue 54
Atom CD2 of residue 57
Atom NE2 of residue 43
LEU
Atom CG2 of residue 4
Atom CA of residue 149
Atom CA of residue 458
Atom N of residue 30
VAL
Atom CA of residue 75
Atom O of residue 85
PRO
Atom NE2 of residue 126
Atom CA of residue 78
Atom CD1 of residue 114
Atom O of residue 31
Atom CG of residue 94
Atom O of residue 10
Atom C of residue 58
Atom C of residue 121
Chain A
Atom N of residue 79
Atom C of residue 86
Atom CG of residue 101
ALA
Atom CA of residue 39
ALA
ASN
Atom CA of residue 114
Atom CA of residue 514
Atom CD of residue 88
Atom O of residue 50
VAL
LYS
ALA
Atom N of residue 91
Atom N of residue 38
GLY
Atom CA of residue 9
THR
Atom N of residue 45
Atom CA of residue 2635
Atom CA of residue 56
ALA
Atom CD1 of residue 134
Atom CD of residue 32
TYR
Atom NE of residue 70
Atom CA of residue 149
Atom CA of residue 68
Atom CD of residue 69
Atom CA of residue 442
ILE
Atom O of residue 37
GLN
THR
Atom C of residue 77
Atom N of residue 44
PRO
SER
PRO
Atom CG of residue 41
Atom CD1 of residue 144
Atom CA of residue 55
Atom C of residue 147
LYS
Atom CB of residue 71
Atom CD2 of residue 114
Atom O of residue 58
Atom O of residue 121
Atom O of residue 86
ASN
Atom C of residue 30
Atom CA of residue 32
Atom CB of residue 144
PRO
Atom N of residue 89
Atom C of residue 82
VAL
Atom CA of residue 57
Atom CA of residue 36
Atom C of residue 47
LYS
Atom CA of residue 74
Atom NE1 of residue 103
SER
Atom CD2 of residue 134
Atom N of residue 33
Atom CB of residue 19
PRO
Atom N of residue 70
Atom C of residue 97
Atom CA of residue 2654
Atom C of residue 64
Atom CB of residue 11
Atom CA of residue 2634
Atom OH of residue 137
PRO
Atom CA of residue 491
Atom CD2 of residue 144
VAL
LYS
Atom CA of residue 89
Atom CG1 of residue 71
SER
Atom CD1 of residue 51
GLU
Atom CA of residue 23
LEU
Atom O of residue 30
Atom CG of residue 144
Atom CA of residue 49
Atom CA of residue 494
Atom N of residue 108
Atom CA of residue 125
GLU
Atom CB of residue 110
VAL
Atom CD1 of residue 63
Atom CA of residue 553
Atom CD1 of residue 4
Atom CA of residue 40
Atom O of residue 82
Atom CD of residue 77
Atom CA of residue 91
Atom O of residue 47
Atom CD of residue 123
PRO
Atom CA of residue 93
Atom CA of residue 562
Atom CA of residue 88
Atom NZ of residue 78
Atom CG of residue 19
ARG
ALA
Atom CD1 of residue 41
Atom O of residue 97
HIS
GLY
Atom CA of residue 127
GLU
Atom O of residue 64
Atom CG2 of residue 86
Atom CA of residue 86
Atom CA of residue 89
Atom CA of residue 117
Atom NH1 of residue 61
Atom N of residue 138
Atom CA of residue 580
Atom CA of residue 68
Atom CA of residue 79
Atom CA of residue 124
Atom C of residue 18
Atom CA of residue 47
MET
Atom N of residue 55
Atom CD2 of residue 51
LEU
THR
Atom CB of residue 10
Atom CA of residue 125
MET
TRP
THR
Atom N of residue 127
Atom C of residue 25
VAL
Atom CG of residue 110
Atom CD2 of residue 63
Atom CG of residue 8
Atom N of residue 78
P2114
SER
Atom N of residue 124
Atom CA of residue 24
Atom O of residue 149
Atom CA of residue 53
Atom CA of residue 94
Atom CB of residue 75
Atom N of residue 87
SER
Atom N of residue 58
VAL
Atom NH2 of residue 61
GLY
1z5s_A.pdb rigid body positions
LYS
PRO
Atom O of residue 18
Atom CA of residue 39
Atom CB of residue 85
Atom CA of residue 478
GLY
Atom CB of residue 31
Atom CA of residue 55
LYS
Atom CA of residue 118
Atom CA of residue 21
Atom C of residue 68
Atom CA of residue 37
ASP
Atom O of residue 25
Atom CA of residue 52
ASN
Atom CG of residue 11
Atom CA of residue 2673
Atom CD1 of residue 94
Atom CA of residue 456
Atom CB of residue 50
TYR
Atom CD of residue 101
Atom CD2 of residue 41
Atom CA of residue 104
PRO
Atom CA of residue 53
LEU
Atom CZ of residue 70
Atom CA of residue 150
Atom C of residue 79
Atom CA of residue 459
GLN
Atom CA of residue 34
Atom CA of residue 76
Atom CB of residue 37
SER
Atom SG of residue 75
Atom CA of residue 37
Atom CA of residue 79
Atom CE2 of residue 103
PHE
Atom CA of residue 131
ILE
Atom CA of residue 65
Atom C of residue 57
Atom CA of residue 50
VAL
Atom CG of residue 85
Atom CA of residue 40
Atom N of residue 115
ILE
Atom CA of residue 115
Atom CA of residue 515
Atom OG of residue 31
Atom CA of residue 554
Atom CB of residue 58
Atom CB of residue 121
MET
SER
MET
Atom CB of residue 86
THR
Atom O of residue 68
Atom CA of residue 2636
Atom CA of residue 57
PHE
PRO
Atom CD2 of residue 94
Atom N of residue 11
SER
Atom OG of residue 50
Atom CE of residue 101
Atom CA of residue 443
LEU
ASP
Atom CE1 of residue 134
ASP
SER
Atom C of residue 23
LEU
ASN
SER
Atom CG of residue 37
GLY
Atom CE3 of residue 103
Atom N of residue 79
Model 2
Atom CA of residue 38
ILE
Atom CA of residue 33
Atom CE1 of residue 144
LEU
Atom O of residue 57
ASN
Atom CA of residue 45
Atom C of residue 93
GLY
rigid bodies list
Atom CG of residue 58
Atom CG of residue 121
Atom CA of residue 4
Atom CG of residue 86
Atom CB of residue 30
Atom NE1 of residue 41
Atom CG2 of residue 71
Atom CA of residue 75
SER
Atom O of residue 79
Atom CB of residue 82
TRP
Atom CD1 of residue 144
Atom N of residue 48
Atom CA of residue 2655
Atom O of residue 23
Atom CA of residue 30
Atom CA of residue 492
LYS
Atom CB of residue 97
Atom CA of residue 2663
Atom N of residue 148
Atom CA of residue 90
SER
Atom CB of residue 64
GLU
Atom CA of residue 2635
GLY
ALA
CYS
Atom OD1 of residue 19
LEU
normalize rigid bodies
Atom C of residue 146
Atom CA of residue 38
Atom CA of residue 50
Atom CA of residue 495
PRO
Atom C of residue 24
Atom O of residue 93
Atom CE1 of residue 51
Atom CD of residue 11
Atom CA of residue 126
ASP
LEU
Atom CA of residue 41
Atom CA of residue 91
Atom CA of residue 92
Atom CG of residue 30
Atom C of residue 94
Atom CD1 of residue 71
TRP
Atom CA of residue 563
Atom CA of residue 89
Atom N of residue 64
ALA
Atom CG of residue 82
GLN
LYS
Atom CD2 of residue 144
THR
LYS
ASN
Atom CA of residue 128
Atom O of residue 149
PRO
Atom CA of residue 87
Atom CD of residue 110
Atom CA of residue 90
Atom CA of residue 118
Atom N of residue 62
Atom CA of residue 581
Atom CA of residue 69
Atom CA of residue 125
Atom CG of residue 97
Atom CA of residue 108
Atom CA of residue 48
Atom CG of residue 64
TYR
GLY
ARG
Atom NH1 of residue 70
Atom CA of residue 555
Atom OD2 of residue 19
Atom CA of residue 12
Atom CA of residue 126
Atom CB of residue 18
python stream
GLY
Atom O of residue 24
TYR
Atom CA of residue 44
GLN
Atom CA of residue 89
Atom NE of residue 13
Atom CB of residue 79
PRO
P0
Atom O of residue 94
Atom C of residue 37
Atom CB of residue 25
PRO
Atom CA of residue 77
Atom C of residue 131
Atom CA of residue 33
PHE
Atom CA of residue 54
Atom CA of residue 70
Atom CA of residue 43
Atom C of residue 65
Atom C of residue 50
ARG
Atom CA of residue 55
Atom CE of residue 110
MET
MET
VAL
Atom CA of residue 3
Atom CA of residue 40
LEU
Atom CA of residue 127
Atom CA of residue 479
Atom CE2 of residue 134
Atom NH2 of residue 70
Atom CA of residue 56
LEU
Atom CA of residue 22
Atom CE2 of residue 41
Atom N of residue 19
Chain A
Atom N of residue 76
Atom CA of residue 53
HIS
NullModifier0
Atom CA of residue 2674
Atom CA of residue 457
Atom CB of residue 68
Atom CA of residue 66
Atom CE2 of residue 144
Atom CA of residue 105
Atom CD of residue 85
Atom O of residue 37
PRO
Atom CG1 of residue 25
Atom CA of residue 54
Atom CA of residue 58
Atom N of residue 2
Atom O of residue 131
Atom N of residue 32
Atom N of residue 95
Atom CA of residue 151
Atom CA of residue 460
Atom C of residue 38
Atom NZ of residue 101
ASP
Atom O of residue 65
ARG
Atom CA of residue 77
Atom O of residue 50
Atom C of residue 45
GLY
Atom CA of residue 80
Atom CZ2 of residue 103
Atom OE2 of residue 12
VAL
ALA
Atom N of residue 51
ASP
GLN
NormalizeRotation0
Atom CZ of residue 134
Atom CA of residue 116
Atom CA of residue 516
THR
Atom CG of residue 79
VAL
Atom CB of residue 57
Atom OD1 of residue 37
LYS
Atom CA of residue 2637
Atom CA of residue 22
Atom CA of residue 58
VAL
SER
Atom CA of residue 78
Atom C of residue 30
Atom CG of residue 68
ASP
Atom CZ of residue 144
Atom CA of residue 444
Atom CA of residue 39
PRO
Atom CA of residue 124
Atom OE1 of residue 85
PRO
Atom CE2 of residue 51
SER
SER
GLY
Atom CA of residue 11
Atom CD of residue 58
Atom OD1 of residue 121
LEU
ILE
Atom OD1 of residue 86
Atom O of residue 38
Atom CA of residue 148
Atom O of residue 45
TYR
Atom CA of residue 87
Atom CZ3 of residue 103
Atom CA of residue 115
Atom CB of residue 23
TYR
python stream rigid body positions
Atom C of residue 91
GLN
Atom CE3 of residue 41
ASP
Atom CA of residue 138
Atom CA of residue 5
Atom CG1 of residue 57
Atom CA of residue 48
Atom ND2 of residue 37
Atom CA of residue 76
ILE
Atom CB of residue 93
Atom O of residue 30
GLU
CYS
Atom C of residue 108
Atom CA of residue 2656
Atom N of residue 72
Atom CZ of residue 51
Atom CA of residue 79
Atom N of residue 59
Atom ND2 of residue 121
Atom OD2 of residue 86
Atom CA of residue 493
Atom OD1 of residue 30
Atom CE1 of residue 144
MET
Atom CA of residue 2664
Atom CA of residue 91
VAL
Atom C of residue 44
Atom CA of residue 2636
GLY
Atom CG of residue 23
Atom C of residue 89
Atom CD1 of residue 82
Atom CD of residue 79
ALA
Atom O of residue 91
Atom CA of residue 51
Atom CA of residue 496
TRP
Atom CA of residue 127
Atom C of residue 33
ASP
Atom CA of residue 67
ILE
Atom CE of residue 76
Atom N of residue 20
Atom CA of residue 42
Atom CA of residue 93
Atom C of residue 70
Atom CD1 of residue 97
Atom CD1 of residue 64
Atom CB of residue 24
GLU
Atom C of residue 55
Atom CG of residue 93
Atom CA of residue 13
Atom CA of residue 564
Atom CA of residue 90
Atom CE2 of residue 77
Atom CA of residue 556
GLN
LEU
GLN
MET
PRO
Atom CB of residue 94
Atom O of residue 108
Atom CA of residue 129
Atom C of residue 127
PRO
ALA
Atom CA of residue 88
Atom O of residue 2
Atom CA of residue 91
Atom CA of residue 582
Atom CA of residue 70
Atom CA of residue 126
Atom OD2 of residue 30
Atom CZ2 of residue 41
Atom C of residue 146
GLY
Atom O of residue 44
ILE
LEU
Atom N of residue 71
Atom NZ of residue 110
Atom O of residue 89
Atom CD2 of residue 82
Atom N of residue 102
Atom CA of residue 127
1z5s_B.pdb
LEU
GLU
PHE
Atom C of residue 58
Atom O of residue 33
Atom CA of residue 64
HIS
Atom NE of residue 13
Atom O of residue 70
GLU
Atom CD2 of residue 97
MET
Atom CD2 of residue 64
Atom CG of residue 24
Atom O of residue 55
Atom N of residue 13
Atom CA of residue 55
Atom CA of residue 43
Atom CA of residue 44
ASP
Atom CG of residue 94
Atom CB of residue 37
Atom O of residue 127
LYS
Atom CB of residue 131
Atom CG1 of residue 4
ILE
Atom N of residue 80
Atom CB of residue 65
Atom CA of residue 41
Atom N of residue 51
Atom CA of residue 78
Atom CG2 of residue 25
Atom CA of residue 480
Atom OH of residue 134
ILE
Atom CA of residue 57
Atom CA of residue 23
Atom C of residue 78
ASP
Chain B
Atom C of residue 124
PRO
Atom CA of residue 54
THR
Atom O of residue 58
Atom CA of residue 2675
Atom CA of residue 458
Atom C of residue 11
Atom CA of residue 62
Atom OH of residue 144
Atom CA of residue 106
THR
Atom C of residue 87
Atom CA of residue 55
Atom C of residue 115
ASP
Atom CA of residue 152
Atom CA of residue 461
ALA
Atom CZ3 of residue 41
PRO
Atom CA of residue 78
Atom OE2 of residue 85
THR
Atom CG of residue 37
Atom CA of residue 81
Atom N of residue 132
TYR
Atom CA of residue 32
Atom C of residue 138
MET
Atom CB of residue 38
Atom CD1 of residue 68
Atom CG of residue 65
Atom C of residue 48
THR
ALA
Atom CB of residue 45
Atom C of residue 78
Atom N of residue 26
Atom CH2 of residue 103
ASP
Atom N of residue 135
Atom CA of residue 117
Atom CA of residue 517
Atom CA of residue 51
THR
Atom O of residue 78
CYS
TYR
GLU
Atom CE2 of residue 144
Atom O of residue 124
Atom CA of residue 2646
Atom CA of residue 23
Atom CA of residue 59
THR
GLY
Atom C of residue 79
Atom CA of residue 95
ALA
SER
Atom N of residue 145
Atom CA of residue 445
Atom CA of residue 40
CYS
Atom N of residue 38
Atom O of residue 87
Atom OH of residue 51
Atom O of residue 115
normalize rigid bodies
THR
Atom CA of residue 22
GLN
GLN
PRO
Atom CB of residue 30
CYS
Atom CG2 of residue 57
MET
Atom N of residue 122
Atom O of residue 138
Atom CZ of residue 13
Atom N of residue 87
Atom CG1 of residue 38
ASP
Atom CD2 of residue 68
Atom CA of residue 19
Atom O of residue 48
Atom CG of residue 45
Atom N of residue 104
Atom CB of residue 91
Atom CA of residue 19
Atom CZ of residue 144
Atom CA of residue 77
Atom CA of residue 2638
GLY
ARG
Atom O of residue 79
Atom N of residue 111
Atom CD of residue 23
Atom CG2 of residue 4
Atom CA of residue 14
GLY
Atom CH2 of residue 41
LEU
Atom CA of residue 51
Atom CA of residue 2657
Atom N of residue 52
Atom CA of residue 80
Atom CG of residue 30
Atom CA of residue 494
THR
Atom N of residue 58
Atom CA of residue 2665
Atom CB of residue 108
Atom CA of residue 92
Atom O of residue 78
PHE
Atom CD of residue 93
Atom CA of residue 2637
Chain A
LEU
Atom O of residue 11
Atom C of residue 64
Atom C of residue 21
GLU
VAL
ALA
Atom N of residue 31
Atom CA of residue 52
Atom CA of residue 497
GLU
1z5s_C1.pdb RigidBodyHierarchy 0
Atom CA of residue 128
Atom CB of residue 44
GLU
ALA
Atom CB of residue 89
Atom CA of residue 43
Atom CE1 of residue 82
Atom CG of residue 91
Atom CA of residue 94
Atom CA of residue 72
GLY
LEU
Atom CA of residue 565
Atom CA of residue 91
Atom CB of residue 33
GLN
Atom CE of residue 23
Atom CA of residue 557
ALA
THR
Atom CD of residue 149
Atom CB of residue 70
LYS
Atom N of residue 98
LYS
LEU
LEU
Atom CE1 of residue 64
Atom CA of residue 89
Atom N of residue 56
PHE
Atom CA of residue 92
Atom CA of residue 583
Atom CA of residue 71
Atom CA of residue 127
Atom CA of residue 44
Atom OG1 of residue 108
Atom CB of residue 127
Atom CD1 of residue 24
Atom OE1 of residue 93
GLN
LEU
Atom C of residue 62
Atom O of residue 64
Atom CA of residue 20
Atom CA of residue 8
Atom CA of residue 128
SER
Atom CB of residue 150
ILE
Atom CD of residue 94
Atom N of residue 86
GLY
Atom CG of residue 44
PHE
Atom OG of residue 89
Atom N of residue 42
LYS
Atom CB of residue 58
Atom CG of residue 33
Atom C of residue 32
Atom C of residue 80
Atom CA of residue 56
Atom OG of residue 70
GLU
Atom CA of residue 51
ILE
SER
GLY
Atom O of residue 41
Atom CA of residue 59
Atom C of residue 51
ASP
Atom CA of residue 102
UpdateRigidBodyMembers9
Atom CA of residue 12
Atom CA of residue 42
PRO
Atom CB of residue 150
Atom CG of residue 127
Atom CA of residue 481
Atom CD2 of residue 24
Atom C of residue 95
MET
Atom CA of residue 58
Atom O of residue 62
Atom CD1 of residue 4
Atom NE of residue 8
Atom CA of residue 24
Atom N of residue 151
Atom OE1 of residue 94
ASP
Atom CD of residue 37
Atom CA of residue 55
ALA
PRO
GLU
THR
Atom CA of residue 2676
Atom CA of residue 459
ILE
Atom CB of residue 78
Atom CD1 of residue 65
Atom CA of residue 107
Atom CB of residue 124
PHE
Atom CA of residue 56
Atom CG of residue 58
Atom CA of residue 71
Atom O of residue 32
Atom CB of residue 11
1z5s_A.pdb
Atom CA of residue 153
Atom CA of residue 462
Atom OE1 of residue 117
AccumulateRigidBodyDerivatives9
VAL
GLU
Atom C of residue 19
ASP
Atom CA of residue 79
VAL
Atom CA of residue 82
Atom CB of residue 87
Atom CB of residue 41
Atom N of residue 116
GLU
Atom O of residue 51
Atom N of residue 151
PRO
Atom CA of residue 118
Atom CA of residue 518
Atom O of residue 95
Atom CB of residue 138
Atom N of residue 5
HIS
LEU
GLU
Atom CE1 of residue 68
Atom OH of residue 144
Atom CB of residue 48
Atom C of residue 40
Atom CE of residue 37
ARG
Atom CA of residue 24
Atom CA of residue 60
LYS
THR
Atom CA of residue 23
PRO
Atom CA of residue 5
Atom O of residue 80
Atom CG of residue 78
Atom CG2 of residue 38
LeavesRefiner1
HIS
Atom CD2 of residue 65
Atom CA of residue 446
LYS
Atom CD of residue 45
Atom CG of residue 124
Atom CB of residue 79
VAL
Chain A
Atom CG of residue 147
THR
MET
ASP
Atom CE2 of residue 82
ALA
Atom O of residue 19
Atom CA of residue 22
Atom CG of residue 87
Atom CA of residue 2639
CYS
ILE
Atom CD of residue 149
PRO
Atom CA of residue 20
PRO
GLN
Atom C of residue 72
Atom CE2 of residue 64
Atom SG of residue 138
Atom CD of residue 30
Atom CA of residue 42
Atom C of residue 76
Atom N of residue 145
Atom CG of residue 48
Atom CA of residue 38
Atom CA of residue 78
SER
Atom CA of residue 150
Atom CA of residue 2
Atom N of residue 39
GLY
Atom CA of residue 7
Atom CE of residue 45
Atom CA of residue 52
Atom CA of residue 2658
Atom CA of residue 132
Atom CG of residue 79
Atom NZ of residue 23
Atom C of residue 20
Atom CA of residue 122
Atom OE1 of residue 11
Atom CA of residue 87
Atom CZ of residue 82
Atom CA of residue 495
THR
Atom CA of residue 2666
Atom CA of residue 93
ALA
GLN
LYS
Atom CA of residue 2646
PHE
ARG
Atom CA of residue 151
Atom CA of residue 53
Model 27
GLY
Atom O of residue 72
Atom CA of residue 26
Atom CZ of residue 64
Atom OE2 of residue 93
Atom C of residue 22
Atom CA of residue 129
ASP
Atom CA of residue 111
GLN
Atom CB of residue 64
GLY
Atom CA of residue 44
Atom CB of residue 80
Atom CE of residue 30
Atom CA of residue 21
Atom CA of residue 95
ALA
Atom CB of residue 148
Atom C of residue 51
Atom CG2 of residue 108
Atom O of residue 150
GLY
Atom CA of residue 56
Atom CA of residue 566
Atom CA of residue 32
Atom CA of residue 92
ILE
Atom CA of residue 558
Atom C of residue 59
LYS
ASP
Atom C of residue 102
GLY
Atom N of residue 150
GLU
PHE
ILE
Atom CA of residue 90
Atom CD1 of residue 44
Atom CA of residue 93
Atom O of residue 20
Atom CA of residue 584
Atom CA of residue 499
Atom N of residue 90
Atom CA of residue 72
Atom CA of residue 128
Atom CA of residue 31
Atom CA of residue 45
Atom CA of residue 151
GLU
Atom OD1 of residue 33
VAL
Atom CA of residue 2638
Atom CA of residue 129
Atom C of residue 42
Atom N of residue 71
ILE
Atom N of residue 25
PHE
Atom CA of residue 84
Atom C of residue 71
GLY
Atom CB of residue 62
Atom CG of residue 64
Atom C of residue 12
Atom CA of residue 68
LEU
Atom CA of residue 2
Atom CA of residue 98
Atom NE2 of residue 94
Atom O of residue 51
Atom N of residue 109
Atom OD1 of residue 127
Atom CA of residue 135
Atom O of residue 59
Atom O of residue 102
Atom CA of residue 57
Atom CE2 of residue 68
Atom CA of residue 14
PHE
UpdateRigidBodyMembers0
ILE
THR
PRO
Atom CD2 of residue 44
Atom CB of residue 32
GLY
GLU
Atom CA of residue 6
Atom NE2 of residue 117
Atom CA of residue 145
Atom CA of residue 43
Atom CA of residue 58
Atom C of residue 151
Atom CA of residue 86
Atom CA of residue 482
Atom CD1 of residue 58
Atom O of residue 22
Atom OD2 of residue 33
LEU
Atom CA of residue 59
Atom CB of residue 51
Atom CG of residue 80
Atom CA of residue 25
LEU
SER
P2124
Atom CA of residue 56
LYS
LYS
Atom CA of residue 2677
Atom O of residue 71
Atom CB of residue 95
Atom CA of residue 460
Atom CG of residue 11
Atom CG of residue 62
Atom NE2 of residue 11
LEU
Atom CA of residue 108
AccumulateRigidBodyDerivatives0
Atom NZ of residue 37
Atom OD2 of residue 127
PHE
Atom CA of residue 57
Atom CA of residue 116
Atom CA of residue 154
Atom CA of residue 463
ASP
Atom CZ of residue 68
Atom N of residue 66
TYR
Atom CA of residue 80
CYS
Atom C of residue 151
Atom CA of residue 83
Atom OG of residue 32
Atom CD of residue 78
Atom CZ of residue 147
Atom O of residue 42
Atom CB of residue 19
Atom OD1 of residue 124
Atom CA of residue 104
Atom CD2 of residue 58
Atom CA of residue 119
Atom CA of residue 519
Atom N of residue 24
Atom CG of residue 51
LEU
Atom CA of residue 22
SER
TYR
Atom CD1 of residue 87
Atom CA of residue 25
Atom CA of residue 61
Atom C of residue 132
PRO
SER
VAL
Atom OG of residue 95
Atom CA of residue 24
LEU
Atom C of residue 122
Atom C of residue 87
GLU
Atom CA of residue 447
HIS
Atom N of residue 94
CYS
Atom N of residue 139
LEU
GLN
PRO
Atom N of residue 83
LYS
ILE
Atom CA of residue 8
PHE
Atom O of residue 151
Atom CA of residue 23
Atom CD of residue 48
Atom NZ of residue 45
Atom C of residue 26
Atom CA of residue 2640
LYS
Atom C of residue 111
Atom O of residue 12
Atom CD of residue 80
Atom CE of residue 78
Atom CG of residue 19
Atom ND2 of residue 124
Atom N of residue 65
Atom C of residue 56
Atom CD of residue 79
LEU
Atom CA of residue 69
Atom CB of residue 72
Atom CA of residue 79
Atom CD2 of residue 87
LYS
Atom O of residue 132
Atom CA of residue 3
Atom O of residue 122
Atom CA of residue 18
Atom O of residue 87
Atom NZ of residue 30
LEU
Atom C of residue 31
Atom O of residue 151
Atom CA of residue 53
Atom CA of residue 2659
GLU
GLN
GLN
HIS
Atom CA of residue 496
Atom CB of residue 42
ILE
HIS
Atom CA of residue 2667
Atom N of residue 95
Atom CE of residue 48
Atom CA of residue 94
Atom O of residue 26
ASP
Atom O of residue 111
LYS
Atom CD of residue 11
Atom CB of residue 20
ALA
Atom C of residue 98
Atom CA of residue 54
GLY
LEU
Atom O of residue 56
Atom C of residue 135
Atom OE1 of residue 79
PHE
GLN
Atom CA of residue 45
Atom N of residue 118
Atom CA of residue 96
Atom N of residue 73
LEU
Atom CA of residue 567
Atom CA of residue 33
Atom CA of residue 93
Atom CA of residue 2639
ILE
Atom CA of residue 559
Atom N of residue 5
LYS
THR
Atom OD1 of residue 40
Atom O of residue 31
Atom C of residue 145
Atom C of residue 58
Atom CB of residue 151
LEU
Atom CB of residue 51
Atom C of residue 86
P2125
ILE
HIS
ILE
Atom CA of residue 91
Atom CA of residue 13
Atom N of residue 22
Atom CA of residue 94
Atom CD1 of residue 64
Atom CB of residue 59
Atom CA of residue 585
Atom CA of residue 500
Atom CA of residue 73
Atom CA of residue 129
Atom N of residue 81
Atom CB of residue 102
Atom CA of residue 46
PRO
THR
Atom N of residue 38
Atom N of residue 45
LEU
HIS
Atom CG of residue 20
Atom CA of residue 90
Atom CA of residue 7
Atom CA of residue 23
Atom O of residue 98
GLY
Atom C of residue 116
ILE
Atom O of residue 135
Atom N of residue 34
PHE
GLU
Atom CA of residue 71
Atom N of residue 150
LEU
Atom CB of residue 151
Atom CB of residue 71
SER
Atom CA of residue 39
Atom CA of residue 58
Atom OH of residue 68
Atom O of residue 145
Atom O of residue 58
GLY
Atom OG1 of residue 51
Atom O of residue 86
Atom N of residue 128
Atom C of residue 104
THR
PRO
Atom SD of residue 62
Atom CD2 of residue 64
Atom CG of residue 59
GLY
Atom CG of residue 102
UpdateRigidBodyMembers10
Atom CG of residue 42
Atom CA of residue 44
VAL
Atom CA of residue 483
Atom CA of residue 25
LYS
Atom CA of residue 60
LYS
Atom N of residue 46
P2126
Atom CA of residue 57
GLU
Atom CE1 of residue 58
Atom O of residue 116
GLY
Atom CA of residue 2678
Atom N of residue 33
Atom CA of residue 461
P2128
GLU
Atom CA of residue 22
Atom CG of residue 151
Atom CA of residue 109
CYS
Atom CA of residue 58
Atom CG1 of residue 71
Atom OE2 of residue 12
Atom CD1 of residue 51
Atom CA of residue 155
Atom CA of residue 20
LEU
Atom CA of residue 464
AccumulateRigidBodyDerivatives10
ALA
Atom N of residue 69
Atom CA of residue 145
VAL
Atom CA of residue 81
LEU
PRO
Atom CA of residue 84
Atom O of residue 104
Atom N of residue 96
Atom CE of residue 62
Atom N of residue 31
ALA
Atom CA of residue 14
Atom CA of residue 120
Atom CA of residue 520
LYS
Atom NZ of residue 78
ILE
LYS
Atom N of residue 125
Atom CG of residue 151
ARG
PHE
Atom CA of residue 62
ASN
GLU
CYS
THR
GLU
Atom CA of residue 25
LEU
Atom ND1 of residue 20
Atom NH2 of residue 149
Atom CA of residue 66
Atom OD1 of residue 19
Atom CA of residue 448
GLU
Atom CA of residue 109
1z5s_A.pdb rigid body positions
Atom CE1 of residue 87
Atom CB of residue 132
LEU
Atom CB of residue 122
TYR
Atom CD2 of residue 51
Atom CB of residue 87
Atom CA of residue 81
Atom CA of residue 26
PRO
ASP
Atom CA of residue 24
Atom CA of residue 2641
ILE
Atom CA of residue 139
Atom CA of residue 24
Atom NZ of residue 48
Atom CB of residue 26
Atom C of residue 52
Atom CB of residue 111
Atom CA of residue 24
ALA
Atom CD of residue 151
ILE
Atom CA of residue 80
Atom N of residue 57
GLY
Atom CA of residue 94
ALA
Atom OE2 of residue 79
Atom CA of residue 4
Atom CA of residue 3
HIS
PHE
Atom OD2 of residue 19
Atom CA of residue 54
Atom CA of residue 2660
Atom CG1 of residue 148
Atom CG of residue 132
Atom CG of residue 122
Atom C of residue 90
Atom CG1 of residue 87
Atom CG of residue 149
Atom CB of residue 31
Atom CD of residue 42
Atom CA of residue 13
LEU
Atom CA of residue 2668
Atom CA of residue 95
ASP
GLU
LEU
Atom O of residue 2
Atom C of residue 71
Atom CA of residue 55
Atom CB of residue 77
P2127
Atom CD of residue 151
LEU
Atom N of residue 27
Atom O of residue 52
GLU
Atom CG of residue 111
THR
Atom CA of residue 13
Atom CA of residue 46
Atom CA of residue 83
Atom C of residue 39
ALA
Atom CA of residue 97
PHE
Atom CB of residue 98
PHE
Atom CA of residue 26
LEU
UpdateRigidBodyMembers4
Atom CA of residue 568
Atom CA of residue 34
Atom CB of residue 135
Atom CA of residue 94
Atom CA of residue 2640
GLU
Atom CA of residue 560
PHE
Atom C of residue 81
SER
Atom CA of residue 498
Atom CA of residue 9
GLY
Atom CA of residue 95
UpdateRigidBodyMembers2
PRO
GLY
Atom CA of residue 65
Atom C of residue 25
Atom CA of residue 92
Atom CE2 of residue 58
Atom CA of residue 95
Atom CA of residue 586
Atom CA of residue 154
Atom O of residue 90
LYS
Atom OG of residue 31
Atom CA of residue 47
Atom CB of residue 145
Atom CB of residue 58
Atom CB of residue 86
Atom C of residue 14
LEU
Atom CB of residue 40
MET
Atom CE1 of residue 64
Atom CA of residue 75
Atom CA of residue 118
Atom O of residue 71
Atom OE1 of residue 151
LYS
Atom CG2 of residue 51
AccumulateRigidBodyDerivatives4
VAL
Atom N of residue 13
SER
Atom SD of residue 59
Atom C of residue 5
Atom O of residue 39
Atom OD1 of residue 102
Atom CA of residue 531
Atom C of residue 145
ARG
Atom CG of residue 98
Atom CA of residue 147
Atom CB of residue 116
Atom OG1 of residue 135
ILE
Atom N of residue 79
Atom CA of residue 59
Atom CA of residue 10
ILE
PHE
1z5s_B.pdb
Atom CA of residue 38
Atom O of residue 25
LEU
THR
Atom CZ of residue 58
Atom CA of residue 45
Atom CA of residue 25
PRO
Atom CG of residue 145
Atom CA of residue 45
Atom CG of residue 58
Atom CG of residue 86
Atom OE1 of residue 151
Atom CA of residue 484
Atom CE2 of residue 87
Atom CB of residue 104
Atom O of residue 14
Atom CA of residue 20
Atom CA of residue 34
Atom CG2 of residue 71
Atom CA of residue 61
Atom N of residue 63
Atom CD of residue 76
ARG
Atom CA of residue 11
Atom C of residue 66
Atom N of residue 52
Atom C of residue 109
Atom CA of residue 58
Atom CA of residue 73
LEU
Atom CA of residue 2679
Atom CA of residue 462
Atom CE of residue 59
Atom CB of residue 139
Atom O of residue 81
Atom OD2 of residue 102
ALA
Atom OE1 of residue 42
Atom CA of residue 23
Atom O of residue 145
Atom CA of residue 110
Atom N of residue 49
Atom CA of residue 128
TYR
Atom CA of residue 59
Atom CG1 of residue 116
Atom CA of residue 33
Atom C of residue 139
Atom CA of residue 156
GLU
SER
Atom CA of residue 82
SER
Chain B
Atom CA of residue 85
Atom N of residue 80
Atom C of residue 24
Atom CE1 of residue 51
Atom NE2 of residue 151
Atom CA of residue 46
Atom CB of residue 147
Atom CZ of residue 87
Atom CG of residue 104
Atom C of residue 94
Atom CA of residue 121
Atom CA of residue 521
Atom CD1 of residue 71
Atom CA of residue 96
LEU
LYS
LEU
Atom O of residue 66
Atom O of residue 109
Atom CA of residue 63
SER
ILE
LEU
PRO
LEU
Atom CG of residue 139
Atom CA of residue 534
MET
Atom CA of residue 33
Atom CA of residue 465
Atom CA of residue 4
VAL
LYS
SER
Atom O of residue 139
LYS
LYS
Atom CA of residue 7
Atom CA of residue 27
GLU
GLY
Atom N of residue 20
Atom CA of residue 25
Atom CA of residue 510
Atom NE2 of residue 151
Atom CA of residue 2642
LEU
Atom O of residue 24
Atom CA of residue 14
GLN
Atom C of residue 83
LEU
Atom CB of residue 117
Atom CA of residue 125
Atom CA of residue 57
Atom O of residue 94
Atom CB of residue 52
Atom CD of residue 132
GLU
ARG
Atom CD of residue 122
Atom CG2 of residue 87
Atom CB of residue 81
Atom CA of residue 1
Atom C of residue 95
Atom CA of residue 81
Atom C of residue 65
LEU
Atom CA of residue 5
Atom CE2 of residue 64
ASN
LYS
ASP
Atom CA of residue 55
Atom CA of residue 2661
VAL
Atom CG of residue 83
Atom CD of residue 111
Atom C of residue 118
Atom CA of residue 26
Atom N of residue 78
HIS
ILE
LYS
Atom CA of residue 2669
Atom CA of residue 96
ASN
ALA
LYS
ARG
Atom N of residue 91
rigid bodies list
Atom CA of residue 12
ALA
Atom O of residue 83
Atom OE2 of residue 42
GLU
Atom CA of residue 56
Atom C of residue 8
PHE
Atom SG of residue 52
Atom OE1 of residue 132
THR
Atom CA of residue 13
ASP
Atom OE1 of residue 122
Atom CA of residue 47
Atom N of residue 88
Atom CA of residue 98
Atom N of residue 32
Atom CB of residue 71
ASP
GLY
Atom O of residue 95
Atom C of residue 38
Atom O of residue 65
LYS
Atom CA of residue 569
Atom CA of residue 35
Atom C of residue 45
LYS
Atom CA of residue 95
Atom CA of residue 2641
GLY
Atom CZ of residue 64
Atom CA of residue 8
Atom CA of residue 561
ALA
Atom CB of residue 39
Atom CA of residue 535
Atom CA of residue 499
MET
ASN
LYS
Atom CA of residue 93
Atom N of residue 59
1z5s_A.pdb rigid body positions
Atom C of residue 34
Atom OE1 of residue 111
Atom CA of residue 96
Atom CA of residue 587
Atom CA of residue 155
Atom CA of residue 498
Atom O of residue 118
ILE
Atom CA of residue 48
Atom CA of residue 17
Atom N of residue 152
Atom CD of residue 98
Atom CA of residue 511
Atom C of residue 73
Atom CB of residue 25
Atom CG2 of residue 135
ASN
GLY
THR
Atom CA of residue 76
Atom CG of residue 81
Atom CA of residue 69
Atom CA of residue 13
SER
Atom C of residue 128
Atom CB of residue 14
Atom C of residue 33
Atom CE2 of residue 51
SER
Atom OG of residue 71
Atom CA of residue 11
Atom CD of residue 145
Atom CD of residue 58
PRO
Atom OD1 of residue 86
Atom O of residue 38
Atom O of residue 45
ARG
Atom N of residue 60
Atom CG of residue 39
ASN
Atom N of residue 103
Atom CA of residue 60
Atom CB of residue 145
Atom C of residue 46
Atom N of residue 152
MET
ALA
Atom CA of residue 27
ProbabilisticAnchorGraph0
LYS
Atom CA of residue 89
Atom O of residue 34
Atom C of residue 96
Atom NZ of residue 76
Atom C of residue 7
Atom CA of residue 15
Atom CA of residue 46
Atom OE1 of residue 98
Atom CE1 of residue 77
Atom O of residue 73
Atom CA of residue 27
Atom CA of residue 485
Atom CG of residue 25
Atom OH of residue 87
Atom CG2 of residue 116
Atom N of residue 136
Atom CA of residue 62
GLY
Atom CA of residue 1
Atom O of residue 128
Atom CA of residue 59
GLY
Atom CG of residue 14
Atom CA of residue 2680
Atom N of residue 72
Atom O of residue 33
Atom CA of residue 463
Atom CD1 of residue 22
Atom CZ of residue 51
Atom CB of residue 83
Atom CA of residue 79
LEU
GLY
Atom CA of residue 24
Atom CB of residue 66
Atom OE1 of residue 145
LEU
Atom N of residue 59
Atom CA of residue 111
Atom OD2 of residue 86
Atom CB of residue 109
LYS
Atom CD of residue 104
Atom CA of residue 60
Atom ND1 of residue 83
Atom CA of residue 9
ASN
Atom CD of residue 139
Atom CA of residue 157
TRP
Atom CG of residue 145
ALA
GLU
Atom CA of residue 83
Atom O of residue 46
Atom O of residue 8
Atom C of residue 125
ILE
Atom CA of residue 86
Atom C of residue 57
UpdateRigidBodyMembers6
SER
Atom O of residue 96
ARG
Atom CA of residue 63
Atom CB of residue 139
Atom CD1 of residue 81
Atom CA of residue 31
Atom CA of residue 3
Atom N of residue 88
Atom CD1 of residue 116
Atom CA of residue 122
Atom CA of residue 522
Atom CA of residue 10
Atom CB of residue 24
LEU
GLU
Atom CA of residue 49
Atom CA of residue 64
Atom CB of residue 94
ALA
HIS
SER
THR
ALA
ALA
Atom CA of residue 1
Atom CA of residue 43
Atom CA of residue 536
GLN
ASP
Atom CG of residue 66
Atom C of residue 21
LEU
Atom CG1 of residue 109
ALA
Atom NE of residue 104
UpdateRigidBodyMembers1
Atom CD2 of residue 83
Atom CA of residue 80
ILE
ILE
Atom OE1 of residue 139
VAL
PHE
Atom N of residue 43
LYS
Atom CA of residue 152
ARG
Atom O of residue 125
Atom O of residue 57
1z5s_B.pdb
Atom CG of residue 139
Atom CA of residue 6
THR
Atom CG of residue 24
Atom CA of residue 52
Atom CA of residue 82
AccumulateRigidBodyDerivatives1
Atom CG of residue 94
Atom OE2 of residue 132
Atom N of residue 65
Atom OE2 of residue 122
Atom O of residue 7
Chain A
python stream
ILE
Atom CA of residue 27
LEU
Atom CA of residue 20
Atom CA of residue 20
Atom CA of residue 450
Atom CB of residue 95
Atom CA of residue 152
Atom CA of residue 56
Atom CB of residue 65
Atom N of residue 53
Atom CA of residue 6
Atom CD2 of residue 22
Atom CA of residue 91
LEU
ASP
Atom CA of residue 466
Atom C of residue 69
LYS
Atom CA of residue 2670
Atom CA of residue 97
THR
VAL
Atom NE2 of residue 111
Atom CA of residue 26
MET
Atom CD2 of residue 81
Atom CB of residue 118
Atom CA of residue 57
Atom CB of residue 8
Atom CA of residue 512
LYS
ALA
THR
Atom CA of residue 48
TYR
Atom CA of residue 99
PHE
LEU
Atom N of residue 147
Atom CA of residue 36
Atom CA of residue 96
Atom CA of residue 2642
LYS
Atom CA of residue 5
Atom CA of residue 562
Atom CB of residue 147
Atom CB of residue 7
PRO
HIS
Atom CA of residue 500
Atom CA of residue 32
LEU
Atom C of residue 152
GLU
Atom OG1 of residue 95
Atom CB of residue 38
VAL
SER
Atom C of residue 27
Atom CG of residue 65
Atom CA of residue 94
GLN
Atom CB of residue 45
Atom CA of residue 97
ASP
Atom CA of residue 156
CYS
Atom O of residue 69
Atom N of residue 72
Atom CA of residue 49
Atom CA of residue 26
GLU
Atom N of residue 35
LEU
Atom NH2 of residue 147
Atom CA of residue 77
Atom C of residue 79
Atom CD of residue 39
Atom CG of residue 118
Atom OE2 of residue 98
SER
Atom CG of residue 8
PHE
Atom CB of residue 73
Atom CZ of residue 77
ILE
Atom CA of residue 2
Atom OH of residue 51
Atom CA of residue 537
Atom C of residue 152
Atom CB of residue 128
Atom CD of residue 25
PairScore 1
Atom CB of residue 33
Atom C of residue 63
ALA
Atom C of residue 31
Atom CA of residue 61
Atom CA of residue 21
Atom OE2 of residue 145
MET
Atom N of residue 87
Atom CG1 of residue 38
Atom O of residue 27
GLU
Atom CD of residue 14
Atom CG of residue 45
Atom CA of residue 90
ARG
Atom CA of residue 16
PRO
Atom CA of residue 47
Atom C of residue 49
Atom CB of residue 46
Atom CA of residue 486
Atom CA of residue 28
THR
Atom CB of residue 96
ALA
Atom CA of residue 63
GLU
Atom C of residue 43
Atom O of residue 79
Atom CE of residue 39
Atom CG of residue 77
Atom CD of residue 145
Atom CA of residue 513
Atom CA of residue 60
Atom CG of residue 73
MET
PRO
Atom CA of residue 59
Atom N of residue 117
Atom C of residue 80
Atom CA of residue 2681
Atom CA of residue 464
Atom CE1 of residue 22
GLY
Atom CA of residue 60
Atom N of residue 52
Atom CA of residue 88
Atom CA of residue 103
Atom CA of residue 25
GLY
Atom O of residue 152
Atom CA of residue 112
Atom CG of residue 128
Atom CE of residue 25
Atom CA of residue 61
PairsRestraint 0
Atom CG of residue 33
Atom O of residue 63
UpdateRigidBodyMembers8
Atom CA of residue 9
Atom N of residue 82
PRO
Atom O of residue 31
Atom CA of residue 146
GLU
Atom CA of residue 84
VAL
LEU
Atom CA of residue 87
Atom CZ of residue 104
Atom CE of residue 14
Atom N of residue 133
Atom CE1 of residue 83
ILE
Atom NE2 of residue 139
Atom N of residue 123
Atom C of residue 9
Atom CD1 of residue 66
Atom O of residue 49
Atom C of residue 52
Atom CG of residue 46
Atom CG2 of residue 109
Atom CB of residue 125
Atom CB of residue 57
Atom CA of residue 123
Atom CA of residue 523
Atom CA of residue 72
Atom CG1 of residue 96
LYS
Atom O of residue 43
GLY
GLU
Atom C of residue 20
Atom OE1 of residue 145
Atom O of residue 152
GLN
SER
ILE
Atom O of residue 80
ALA
Atom N of residue 112
Atom CA of residue 6
NullModifier2
PHE
Atom CD of residue 139
Atom C of residue 91
AccumulateRigidBodyDerivatives8
LYS
LEU
GLU
ASP
LEU
Atom CD1 of residue 24
ALA
LYS
VAL
1z5s_B.pdb rigid body positions
Atom CD of residue 94
ALA
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
Atom CD of residue 146
PRO
Atom N of residue 23
Atom CD2 of residue 66
Atom O of residue 52
Atom CD1 of residue 109
Atom CG1 of residue 125
MET
Atom CG of residue 57
Atom CA of residue 136
NormalizeRotation2
LeavesRefiner0
Atom CA of residue 538
Atom C of residue 32
Atom O of residue 20
Atom CB of residue 152
Atom CA of residue 83
Atom C of residue 150
ILE
LYS
LEU
Atom OE1 of residue 139
Atom O of residue 91
Atom CA of residue 28
ARG
Atom CA of residue 451
Atom CA of residue 59
Atom N of residue 99
Atom CA of residue 57
Atom CA of residue 7
Atom CD2 of residue 24
Atom CA of residue 467
LEU
Atom CA of residue 2671
Atom CA of residue 98
VAL
Atom OE1 of residue 94
Atom CA of residue 53
LEU
Atom N of residue 41
ARG
SER
GLY
Atom CB of residue 69
Atom N of residue 146
Atom CA of residue 58
Atom CG2 of residue 95
Atom CA of residue 521
Atom CB of residue 152
LEU
Atom CD1 of residue 65
Atom CA of residue 16
VAL
UpdateRigidBodyMembers5
SER
Atom CA of residue 49
PHE
Atom CA of residue 100
Atom O of residue 32
GLU
VAL
LYS
Atom CB of residue 6
ARG
Atom CA of residue 97
Atom CA of residue 4
Atom CA of residue 563
Atom CA of residue 66
Atom CD of residue 118
LEU
Atom CA of residue 501
GLU
GLU
TYR
SER
Atom CA of residue 95
Atom CA of residue 35
Atom CA of residue 98
GLY
Atom CA of residue 157
THR
python stream
Atom CB of residue 27
Atom C of residue 59
PRO
LEU
AccumulateRigidBodyDerivatives5
Atom CE2 of residue 22
Atom CA of residue 65
Atom C of residue 60
Atom CA of residue 78
LEU
Atom C of residue 88
Atom C of residue 103
PRO
Atom CG of residue 69
Atom CA of residue 72
LYS
Atom N of residue 153
ILE
Atom N of residue 96
GLY
Atom CG2 of residue 38
Atom CD2 of residue 65
Atom NH1 of residue 104
GLY
Atom CD of residue 45
Atom NE2 of residue 83
P2114
Atom CA of residue 27
Atom N of residue 140
Atom CB of residue 79
Atom NZ of residue 39
Atom CA of residue 15
Atom CG of residue 6
Atom CA of residue 88
Chain B
LYS
CYS
ASP
Atom OE1 of residue 118
Atom CA of residue 62
Atom CA of residue 2663
Atom OD1 of residue 73
Atom NZ of residue 25
ARG
UpdateRigidBodyMembers3
Atom CA of residue 91
Atom C of residue 72
Atom CB of residue 63
Atom O of residue 8
Atom CB of residue 31
Atom CA of residue 48
Atom N of residue 153
Atom CD of residue 128
Atom CG1 of residue 27
Atom CA of residue 487
Atom O of residue 59
Atom NZ of residue 14
Atom CZ of residue 147
Atom CD of residue 33
Atom CA of residue 64
Atom O of residue 60
ILE
Atom CA of residue 21
Atom O of residue 88
Atom O of residue 103
Atom CA of residue 539
Atom CA of residue 27
Atom CB of residue 49
Atom CA of residue 522
Atom N of residue 39
Atom CA of residue 61
GLU
Atom NH2 of residue 104
Atom CA of residue 68
Atom CE of residue 45
Atom N of residue 84
Atom CA of residue 2682
Atom CA of residue 497
ASN
Atom CB of residue 43
Atom CG of residue 79
Atom CA of residue 18
Atom CA of residue 26
Atom OE2 of residue 145
PRO
Atom CA of residue 113
Atom CA of residue 87
Atom CD of residue 46
Atom CA of residue 62
AccumulateRigidBodyDerivatives3
LEU
Atom CB of residue 80
Atom CG2 of residue 96
ASP
Atom CA of residue 82
LYS
GLU
GLU
GLU
Atom CA of residue 88
Atom OD2 of residue 73
Atom C of residue 136
THR
Atom O of residue 72
Atom CG of residue 63
Atom CB of residue 8
Atom CG of residue 31
LYS
Atom N of residue 129
TRP
Atom CA of residue 117
Atom CA of residue 124
Atom CA of residue 524
Atom OE1 of residue 33
Atom CZ of residue 22
normalize rigid bodies
Atom CA of residue 2
LEU
GLU
ASP
Atom CE1 of residue 66
Atom C of residue 59
Atom N of residue 50
Atom CB of residue 52
Atom N of residue 110
LEU
LEU
VAL
Atom CA of residue 10
Atom SG of residue 43
ALA
Atom CA of residue 41
GLY
Atom CA of residue 13
Atom CB of residue 20
Atom CA of residue 146
GLN
Atom CA of residue 86
Atom CE of residue 46
Atom CG2 of residue 125
Atom CD1 of residue 57
Atom C of residue 53
Atom CA of residue 133
Atom CA of residue 518
P2115
Atom CG of residue 80
Atom CD1 of residue 96
GLU
Atom CA of residue 123
Atom NE2 of residue 139
PRO
Atom CB of residue 91
LYS
Atom O of residue 136
Atom N of residue 25
Atom CA of residue 7
Atom CA of residue 84
GLY
LEU
Atom CA of residue 153
LEU
Atom NE2 of residue 94
Atom CA of residue 112
Atom CA of residue 22
Atom O of residue 59
Atom CG of residue 52
LYS
Atom CA of residue 84
Atom C of residue 35
VAL
Atom CA of residue 5
GLY
Atom CA of residue 29
MET
Atom CB of residue 32
Atom CA of residue 52
Atom CG of residue 20
Atom CA of residue 452
Atom CB of residue 5
Atom CD1 of residue 125
Atom CA of residue 58
ARG
Atom CD2 of residue 57
ASP
Atom O of residue 53
Atom CA of residue 8
Atom C of residue 65
Atom CD of residue 146
Atom OG1 of residue 91
Atom CA of residue 468
Atom N of residue 40
Atom C of residue 72
VAL
LYS
Atom CA of residue 2672
Atom CA of residue 99
Atom CA of residue 153
ARG
PHE
LYS
Atom CA of residue 69
Atom CA of residue 540
Atom CA of residue 59
Atom CA of residue 523
ARG
Atom N of residue 26
Atom C of residue 88
Atom CA of residue 17
LYS
Atom CB of residue 13
Atom CA of residue 50
Atom CA of residue 101
Atom CA of residue 23
Atom CA of residue 99
VAL
GLY
Atom N of residue 66
MET
Atom N of residue 15
VAL
Atom CA of residue 98
Atom O of residue 35
1z5s_B.pdb rigid body positions
Atom CA of residue 20
Atom CA of residue 564
ALA
Atom CA of residue 35
LEU
Atom CA of residue 502
Atom OG of residue 32
Atom CD of residue 69
ARG
PRO
ILE
Atom CA of residue 96
Atom CA of residue 20
Atom CA of residue 99
ILE
Atom O of residue 65
MET
Atom OE2 of residue 118
Atom O of residue 72
Atom N of residue 146
Atom C of residue 153
ASN
LYS
Atom CA of residue 79
ALA
GLY
Atom C of residue 87
VAL
Atom O of residue 88
Atom N of residue 105
Atom CB of residue 59
PRO
Atom CB of residue 60
Atom CB of residue 88
Atom C of residue 82
Atom CB of residue 103
ASP
LYS
Atom CG2 of residue 27
PHE
ALA
Atom CA of residue 519
Atom NZ of residue 45
Atom CA of residue 28
HIS
Atom CA of residue 556
Atom CA of residue 63
Atom N of residue 70
LEU
Atom CE2 of residue 66
Atom C of residue 153
Atom CA of residue 2664
GLN
ARG
Atom C of residue 117
Chain A
Atom CA of residue 92
Atom N of residue 4
ALA
VAL
Atom CD of residue 79
MET
LYS
Atom CA of residue 49
Atom N of residue 6
LEU
Atom N of residue 74
Atom CA of residue 488
Atom CA of residue 11
Atom CB of residue 72
Atom CA of residue 65
Atom CA of residue 140
Atom N of residue 140
Atom CB of residue 9
GLY
Atom CA of residue 23
Atom O of residue 87
ALA
Atom CA of residue 62
GLU
PRO
Atom CG of residue 59
Atom C of residue 133
P2116
Atom CA of residue 2683
Atom OE2 of residue 33
Atom CD1 of residue 63
Atom CG of residue 60
Atom C of residue 123
Atom CG1 of residue 88
Atom O of residue 82
Atom OD1 of residue 31
Atom CG of residue 103
PRO
LYS
Atom CA of residue 28
Atom CA of residue 114
Model 28
Atom N of residue 28
Atom CA of residue 63
Atom N of residue 95
1z5s_A.pdb
Atom CA of residue 83
Atom CA of residue 21
LYS
Atom CA of residue 67
Atom CZ of residue 66
Atom O of residue 153
GLU
GLY
Atom NZ of residue 46
GLU
Atom CA of residue 89
Atom O of residue 117
LEU
Atom N of residue 97
Atom C of residue 112
Atom N of residue 44
Atom CA of residue 70
Atom OE1 of residue 79
Atom CA of residue 541
Atom CA of residue 524
ASN
ASP
Atom CB of residue 136
Atom CA of residue 125
Atom CD1 of residue 80
Atom CA of residue 525
Atom N of residue 73
Atom CD1 of residue 9
ASN
Atom CA of residue 21
SER
LYS
Atom CA of residue 96
Model 18
Atom O of residue 133
HIS
Atom CZ of residue 149
GLU
UpdateRigidBodyMembers7
Atom CD2 of residue 63
THR
Atom O of residue 123
ALA
Atom ND2 of residue 31
PHE
Atom CB of residue 59
GLY
Atom CA of residue 87
Atom O of residue 153
THR
ILE
GLU
Atom CD of residue 52
Atom N of residue 126
Atom N of residue 58
LYS
Atom CB of residue 53
LEU
Atom O of residue 112
ALA
ALA
Atom C of residue 23
Atom ND1 of residue 20
Atom C of residue 99
Atom CA of residue 110
Atom CG1 of residue 136
Atom CD2 of residue 80
AccumulateRigidBodyDerivatives7
Atom CG2 of residue 91
Atom N of residue 119
Atom CA of residue 39
1z5s_C.pdb
Atom CB of residue 90
Atom CA of residue 520
Atom CA of residue 466
Atom O of residue 3
Atom CA of residue 557
Atom CA of residue 30
LEU
Atom CA of residue 53
ALA
Atom CA of residue 453
Atom CG of residue 59
Atom CB of residue 153
Atom CZ of residue 8
Atom CA of residue 59
Atom CB of residue 35
Atom CA of residue 9
Atom CA of residue 16
Atom CA of residue 25
Atom O of residue 3
ILE
Atom CA of residue 469
ALA
VAL
GLU
Atom CA of residue 2673
Atom N of residue 53
GLN
Atom CA of residue 100
LYS
MET
PHE
Atom CA of residue 12
Atom CG of residue 53
Atom CB of residue 21
Atom N of residue 46
Atom CA of residue 84
P2117
Atom CB of residue 65
GLN
Atom CA of residue 24
Atom N of residue 33
Atom O of residue 23
Atom CB of residue 72
Atom CD2 of residue 20
Atom O of residue 99
Atom CA of residue 60
Atom CA of residue 50
Atom CA of residue 129
MET
Atom CA of residue 86
LYS
Atom N of residue 92
PRO
Atom CA of residue 51
LEU
Atom CA of residue 102
Atom CB of residue 153
Atom CB of residue 88
LEU
Chain C
Atom CG1 of residue 90
Atom CA of residue 99
Atom CA of residue 565
Atom CA of residue 40
PRO
Atom CA of residue 503
Atom CA of residue 16
SER
GLY
Atom CA of residue 97
Atom OG1 of residue 35
Atom N of residue 34
Atom CA of residue 100
Atom C of residue 140
Atom CA of residue 71
Atom CA of residue 542
SER
Atom CA of residue 36
Atom CA of residue 14
Atom CA of residue 525
Atom CA of residue 26
Atom NH1 of residue 149
LYS
ILE
SER
Atom CG of residue 65
Atom CA of residue 12
Atom CA of residue 80
GLU
Atom CG of residue 72
SER
Atom N of residue 47
Atom CA of residue 66
Atom CA of residue 15
MET
PRO
Atom CG of residue 153
VAL
Atom CB of residue 87
Atom CG of residue 88
Atom C of residue 149
Atom N of residue 3
Atom CB of residue 82
Atom CA of residue 64
Atom N of residue 67
Atom CA of residue 9
PRO
LYS
Atom CD of residue 59
ARG
Atom CA of residue 93
ILE
Atom OD1 of residue 60
Atom O of residue 140
Atom C of residue 52
LYS
Atom CG2 of residue 88
Atom CD1 of residue 103
Atom CA of residue 50
Atom C of residue 96
Atom CA of residue 489
ALA
Atom CA of residue 84
VAL
Atom OE2 of residue 79
LEU
Atom CG of residue 153
Atom CA of residue 63
PRO
Atom CA of residue 521
Atom CA of residue 2684
PRO
LYS
Atom CA of residue 558
TRP
SER
Atom CA of residue 115
Atom CG1 of residue 87
Atom CA of residue 64
Atom CB of residue 133
P2118
ASP
Atom CB of residue 148
TRP
Atom N of residue 64
Atom CB of residue 123
Atom CG of residue 82
ASP
VAL
Atom N of residue 32
LEU
ILE
GLU
ASP
Atom NH1 of residue 8
Atom C of residue 110
ASP
SER
Atom CA of residue 90
Atom CA of residue 74
Atom CA of residue 105
Atom CE of residue 59
Atom CA of residue 13
MET
GLU
Atom ND2 of residue 60
Atom CA of residue 140
Atom O of residue 52
Atom CA of residue 25
Atom CD1 of residue 88
Atom CD2 of residue 103
Atom O of residue 96
Atom C of residue 39
ASP
Atom CA of residue 126
Atom CA of residue 526
ASN
Atom CB of residue 112
GLY
TYR
Atom CA of residue 44
ASP
PRO
Atom CD of residue 153
Atom CA of residue 70
Atom CA of residue 95
GLU
Atom N of residue 81
Atom C of residue 25
LYS
ASN
TRP
Atom CA of residue 88
Atom O of residue 147
Atom CA of residue 77
Atom N of residue 134
Atom C of residue 84
Atom CG2 of residue 136
Atom CA of residue 97
ASP
PHE
Atom CG of residue 123
Atom CA of residue 72
PRO
Atom CA of residue 543
Atom CA of residue 70
Atom CA of residue 37
Chain A
Atom C of residue 50
Atom O of residue 110
Atom CA of residue 526
Atom C of residue 129
Atom CA of residue 13
ARG
Atom SD of residue 59
TRP
Atom O of residue 39
Atom CD of residue 153
GLY
Atom CG1 of residue 112
Atom CA of residue 67
LEU
Atom C of residue 40
Atom N of residue 24
Atom CE1 of residue 20
Atom CB of residue 99
Atom CD of residue 53
GLY
Atom CA of residue 467
Atom O of residue 25
VAL
Atom CA of residue 31
PHE
Atom CA of residue 54
Atom CA of residue 454
Atom CA of residue 126
Atom CA of residue 60
Atom CA of residue 28
Atom C of residue 26
Atom CA of residue 58
SER
Atom O of residue 84
Atom CD1 of residue 136
Atom CA of residue 17
normalize rigid bodies
GLU
Atom CA of residue 470
SER
Atom CA of residue 2674
Atom O of residue 50
Atom CA of residue 101
Atom O of residue 129
ALA
Atom C of residue 66
Atom CA of residue 433
Atom C of residue 15
Atom CG2 of residue 90
Atom CA of residue 73
Atom CB of residue 4
Atom CA of residue 119
Atom CE of residue 59
Atom CE of residue 153
Atom CA of residue 61
LEU
Atom CA of residue 87
SER
Atom CA of residue 522
P2119
Atom CG2 of residue 35
LEU
Atom CA of residue 15
Atom CA of residue 52
Atom CA of residue 559
Atom O of residue 40
Atom CA of residue 103
PHE
Atom CA of residue 33
Atom CA of residue 21
Atom CG of residue 99
PHE
Atom OE1 of residue 53
Atom CA of residue 100
Atom CD of residue 65
Atom CA of residue 566
GLU
Atom N of residue 80
ASN
GLY
Atom CA of residue 504
Atom CD of residue 72
PRO
Atom CA of residue 17
Atom NH2 of residue 8
GLU
GLY
SER
Atom O of residue 26
Atom CA of residue 98
Atom CA of residue 14
Atom CA of residue 46
Atom CA of residue 101
Atom CA of residue 26
Atom CE of residue 153
Atom CD of residue 88
Atom O of residue 66
Atom O of residue 15
Atom N of residue 91
GLN
GLU
1z5s_C.pdb
Atom CB of residue 140
Atom CA of residue 81
VAL
LYS
Atom CA of residue 71
Atom N of residue 36
ARG
ILE
Atom C of residue 74
Atom C of residue 105
Atom CA of residue 34
ASP
Atom CE of residue 65
Atom C of residue 140
Atom CA of residue 33
LEU
Atom CA of residue 544
Atom CA of residue 65
Atom N of residue 73
Atom CA of residue 38
Atom CA of residue 527
ILE
Atom CA of residue 94
Atom CB of residue 52
ILE
Atom C of residue 44
Atom CA of residue 51
Atom NZ of residue 153
Atom CA of residue 53
Atom CA of residue 47
Atom CG2 of residue 87
Atom CA of residue 490
Atom N of residue 89
Atom OE1 of residue 11
Atom NZ of residue 59
Atom C of residue 95
LEU
Atom CA of residue 85
Chain C
LEU
Atom N of residue 61
Atom CG of residue 140
Atom C of residue 2
ILE
Atom N of residue 89
Atom CD1 of residue 82
LEU
Atom NE1 of residue 103
ARG
Atom N of residue 97
Atom CA of residue 64
Atom CA of residue 2685
Atom C of residue 97
GLU
Atom CE of residue 76
Atom CA of residue 92
Atom CG of residue 40
Atom C of residue 70
GLU
SER
Atom O of residue 74
Atom O of residue 105
Atom CA of residue 65
GLU
ASP
Atom O of residue 140
VAL
Atom NE2 of residue 20
ASP
LYS
Atom NZ of residue 153
Atom CA of residue 91
ASP
GLU
P2120
Atom SG of residue 52
Atom O of residue 44
Atom CB of residue 110
Atom N of residue 88
VAL
SER
Atom N of residue 77
TYR
Atom O of residue 95
Atom CA of residue 523
Atom CA of residue 127
Atom CA of residue 527
VAL
ALA
SER
Atom CD of residue 123
CYS
GLU
Atom CD2 of residue 82
Atom CA of residue 560
VAL
TRP
Atom CA of residue 22
Atom CA of residue 67
Atom CA of residue 28
GLY
Atom C of residue 126
Atom CB of residue 39
Atom C of residue 28
Atom C of residue 58
ASP
Atom O of residue 97
Atom CA of residue 130
Atom CA of residue 64
PRO
GLU
Atom CG of residue 9
ALA
VAL
Atom CA of residue 32
HIS
SER
Atom O of residue 70
MET
ASP
Atom CA of residue 89
ASP
Atom CA of residue 15
ALA
Atom CG2 of residue 112
Atom C of residue 73
LYS
Atom CB of residue 25
Atom C of residue 119
Atom N of residue 21
Atom NH1 of residue 13
Atom CB of residue 84
Atom N of residue 137
LEU
Atom CA of residue 24
Atom C of residue 33
Atom N of residue 51
Atom CG of residue 110
Atom CB of residue 129
LYS
Atom CA of residue 72
Atom CA of residue 81
Atom N of residue 124
ALA
Atom N of residue 60
Atom O of residue 126
Atom CG of residue 39
Atom O of residue 28
Atom O of residue 58
Atom C of residue 46
Atom CA of residue 468
Atom CB of residue 40
Atom CA of residue 545
Atom CA of residue 32
Atom CA of residue 55
Atom CA of residue 455
Atom CA of residue 528
Atom CA of residue 61
Atom NE2 of residue 11
Atom NE2 of residue 53
Atom CD1 of residue 112
Atom O of residue 73
Atom CG of residue 25
Atom CA of residue 471
Atom O of residue 119
Atom CA of residue 16
TYR
Atom N of residue 154
Atom CD of residue 99
LYS
Atom CA of residue 2675
Atom CA of residue 102
VAL
Atom CB of residue 26
Atom CA of residue 434
LEU
Atom CG of residue 84
TYR
ASP
ARG
LEU
Atom O of residue 33
Atom CA of residue 62
THR
Atom N of residue 130
PHE
Atom CA of residue 88
Atom CB of residue 66
Atom CB of residue 15
TYR
1z5s_B.pdb
ASN
Atom C of residue 34
Atom CA of residue 27
Atom CA of residue 85
Atom CA of residue 104
Atom CA of residue 23
ASN
Atom N of residue 60
ASP
Atom CA of residue 134
Atom O of residue 46
P2121
MET
Atom CA of residue 101
Atom CA of residue 567
Atom CE2 of residue 103
Atom CG of residue 40
GLU
Atom CA of residue 505
Atom C of residue 53
Atom NH2 of residue 13
Atom C of residue 47
Atom N of residue 154
THR
LYS
Atom CA of residue 99
Atom CA of residue 102
GLN
Atom NZ of residue 65
Atom CA of residue 34
LEU
PRO
Atom OE1 of residue 99
Atom CG1 of residue 26
PRO
Atom CA of residue 524
ASP
ASP
Atom N of residue 6
Atom C of residue 92
Atom CA of residue 82
Atom CA of residue 561
GLY
SER
Atom CG of residue 66
Atom N of residue 16
Chain B
Atom O of residue 34
Atom CA of residue 10
Atom CA of residue 21
HIS
GLU
Atom CA of residue 80
MET
GLU
LYS
LEU
Atom CA of residue 16
Atom CA of residue 433
Atom OD1 of residue 140
Atom CE3 of residue 103
LYS
Atom CA of residue 116
Atom O of residue 53
Atom O of residue 47
Atom CB of residue 74
Atom CB of residue 105
GLU
ALA
Atom CA of residue 95
ListSingletonContainer1
PRO
Atom CA of residue 131
Atom CG of residue 76
Atom CB of residue 140
Atom CA of residue 67
LYS
TRP
Atom C of residue 67
Atom CA of residue 52
Atom O of residue 20
Atom CA of residue 97
Atom CA of residue 491
Atom CA of residue 73
Atom CA of residue 86
Atom C of residue 64
Atom O of residue 92
Atom C of residue 6
MET
Atom CB of residue 44
Atom C of residue 32
ALA
Atom CA of residue 2
ILE
Atom CA of residue 65
Atom CB of residue 95
GLU
Atom CA of residue 2686
LYS
ALA
Atom N of residue 53
Atom CE1 of residue 82
Atom CA of residue 546
GLY
VAL
Atom CA of residue 529
LYS
Atom CB of residue 97
Atom ND2 of residue 140
SER
Atom C of residue 24
Atom CB of residue 70
PRO
Atom CA of residue 154
PRO
VAL
GLU
ASP
Atom CA of residue 92
Atom CG of residue 74
Atom CG of residue 105
LYS
VAL
LYS
ARG
Atom C of residue 81
Atom CA of residue 70
Atom CG of residue 140
Atom CA of residue 61
Atom CA of residue 89
ALA
Atom O of residue 67
ILE
Atom CA of residue 91
Atom N of residue 54
Atom CA of residue 128
SER
Atom CA of residue 528
SER
ListSingletonContainer0
Atom O of residue 64
Atom CA of residue 19
Atom N of residue 45
Atom O of residue 32
ARG
Atom CA of residue 24
Atom N of residue 14
Atom N of residue 12
ALA
Atom OG1 of residue 95
Atom CA of residue 36
LYS
ASN
ASN
ILE
GLN
Atom N of residue 149
SER
Atom CA of residue 90
Atom CD of residue 110
Atom CB of residue 126
Atom CA of residue 154
Atom CB of residue 28
Atom CB of residue 58
Atom NZ of residue 146
Atom CG of residue 97
ASP
ALA
Atom CA of residue 68
Atom O of residue 24
Atom OG of residue 70
Atom CA of residue 73
Atom CA of residue 70
Atom CA of residue 51
Atom CD of residue 39
PRO
Atom CA of residue 525
Atom O of residue 81
Atom N of residue 113
Atom CB of residue 73
Atom O of residue 9
Atom CA of residue 34
Atom CA of residue 562
Atom CB of residue 119
Atom CA of residue 17
Atom CA of residue 89
Atom C of residue 134
ARG
Atom CA of residue 575
Atom N of residue 66
Atom CD of residue 25
TYR
LEU
VAL
Atom CB of residue 33
VAL
Atom CA of residue 17
Atom CD of residue 84
ASP
Atom CA of residue 469
LYS
Atom CA of residue 33
Atom CA of residue 56
Atom CA of residue 456
Atom C of residue 154
Atom CB of residue 20
Atom CE of residue 110
Atom CG of residue 126
GLN
Atom CA of residue 62
Atom CG of residue 28
Atom CA of residue 67
Atom CG of residue 58
Atom CA of residue 137
Atom CB of residue 46
SER
Atom CA of residue 132
Atom CA of residue 472
Atom CA of residue 22
CYS
Atom CA of residue 2676
Atom CA of residue 103
Atom CE of residue 39
GLN
Atom CA of residue 435
GLY
Atom CD2 of residue 77
LEU
Atom CG of residue 73
Atom CG of residue 119
Atom C of residue 80
Atom SD of residue 40
LYS
ASP
Atom OE2 of residue 99
Atom CA of residue 60
Atom CA of residue 63
Atom CA of residue 88
Atom CA of residue 89
Atom O of residue 134
GLY
ASP
Atom CE of residue 25
Atom CA of residue 28
Atom CA of residue 39
Atom CA of residue 547
Atom CA of residue 105
Atom CG of residue 33
Atom CA of residue 530
Atom C of residue 154
Atom CG2 of residue 26
Atom CA of residue 95
Atom N of residue 85
Atom CA of residue 102
Atom CB of residue 34
Atom CA of residue 568
Atom CZ2 of residue 103
VAL
TYR
Atom CA of residue 506
ARG
SER
Model 25
Atom C of residue 97
VAL
GLY
Atom CD1 of residue 66
Atom CA of residue 100
TRP
SER
Atom CG of residue 46
Atom CA of residue 103
Atom CA of residue 71
Atom CA of residue 4
Atom CE2 of residue 82
PHE
Atom CB of residue 53
Atom CB of residue 47
PRO
LYS
LEU
Atom CA of residue 83
Atom O of residue 80
Atom CE of residue 40
Atom CA of residue 49
Atom CB of residue 78
Atom O of residue 148
LEU
Atom CA of residue 68
Atom CA of residue 60
GLU
GLY
Atom CA of residue 18
Atom CA of residue 124
Atom CA of residue 22
Atom CB of residue 92
LEU
Atom O of residue 154
VAL
Atom N of residue 27
ARG
Atom CA of residue 434
Atom CG1 of residue 34
GLU
Atom C of residue 61
Atom C of residue 89
Atom CA of residue 49
Atom CZ3 of residue 103
Atom CA of residue 69
Atom CA of residue 71
Atom CA of residue 117
Atom O of residue 97
Atom CD2 of residue 66
GLN
Atom C of residue 91
Atom CA of residue 526
Atom CA of residue 96
Atom N of residue 141
Atom CZ of residue 82
Atom CA of residue 563
Atom CA of residue 85
Atom CG of residue 53
Atom CG of residue 47
Atom CA of residue 130
Atom CA of residue 492
ASP
Atom C of residue 36
Atom CA of residue 87
Atom CA of residue 4
ILE
GLN
Atom CB of residue 67
Atom CG of residue 20
ALA
LYS
Atom O of residue 154
Atom OD1 of residue 74
Atom CD of residue 105
Atom CA of residue 18
Atom CA of residue 20
Atom CA of residue 2687
VAL
Atom CB of residue 64
Atom CA of residue 11
Atom OD1 of residue 140
Atom CG1 of residue 92
Atom CA of residue 54
Atom CB of residue 32
Atom C of residue 73
GLY
LEU
Atom C of residue 51
LYS
PHE
SER
Atom CA of residue 133
Atom O of residue 61
Atom CA of residue 53
ILE
Atom O of residue 89
ALA
PRO
VAL
ASP
TRP
Atom CA of residue 93
Atom C of residue 89
SER
Atom O of residue 91
Atom CG2 of residue 95
GLN
ARG
Atom CA of residue 130
Atom CB of residue 24
Atom CA of residue 6
Atom CG of residue 78
GLU
GLU
TYR
Atom C of residue 6
Atom CA of residue 16
Atom CA of residue 129
Atom O of residue 36
Atom N of residue 82
Atom CA of residue 529
ARG
Atom CD1 of residue 97
Atom C of residue 5
Atom CA of residue 548
PRO
Atom N of residue 71
Atom CG of residue 67
Atom CB of residue 154
Atom CA of residue 531
Atom ND2 of residue 74
Atom N of residue 106
Atom C of residue 137
ASP
Atom CG of residue 64
SER
Atom ND2 of residue 140
MET
Atom CG of residue 32
SER
Atom O of residue 73
Atom N of residue 100
SER
Atom CA of residue 91
Atom O of residue 51
Atom O of residue 13
GLU
Atom NH1 of residue 147
CoreCloseBipartitePairContainer
TRP
Atom CA of residue 72
Atom CD1 of residue 77
Atom CA of residue 70
Atom C of residue 60
Atom NZ of residue 110
Atom C of residue 88
Atom O of residue 89
Atom CA of residue 130
Atom N of residue 96
Atom CA of residue 54
Atom CA of residue 3
Atom CG of residue 24
TRP
Atom CD of residue 126
Atom CB of residue 154
Atom NZ of residue 39
Atom CD of residue 28
Atom CA of residue 69
Atom CD1 of residue 58
TYR
MET
Atom CD2 of residue 97
SER
ILE
Atom CA of residue 67
Atom CB of residue 134
Atom O of residue 137
VAL
Atom OD1 of residue 73
Atom CA of residue 470
ALA
Atom NZ of residue 25
TRP
Atom CD1 of residue 119
Atom CA of residue 34
Atom CA of residue 57
Atom CA of residue 457
ASP
Atom CA of residue 72
Atom CA of residue 63
Atom CA of residue 527
ASN
Atom CA of residue 576
Atom CA of residue 113
PRO
VAL
Atom CA of residue 473
Atom CD of residue 33
Atom CD of residue 78
Atom O of residue 60
Atom CA of residue 2677
Atom NH2 of residue 147
Atom O of residue 88
Atom CA of residue 104
ASP
Atom CA of residue 436
Atom C of residue 60
Atom CA of residue 66
Atom C of residue 3
Atom C of residue 124
LEU
Atom CA of residue 45
GLN
Atom CG of residue 154
Atom CD of residue 20
Atom CA of residue 64
Atom OE1 of residue 126
ALA
Atom N of residue 29
Atom CA of residue 90
Atom CD2 of residue 58
Atom CA of residue 19
Atom CD of residue 46
Atom C of residue 20
LYS
Atom CA of residue 29
ARG
Atom CB of residue 80
Atom N of residue 41
GLN
Atom CA of residue 106
Atom CA of residue 4
Atom CA of residue 96
Atom CG of residue 134
Atom CA of residue 103
Atom OD2 of residue 73
PRO
Atom CA of residue 134
Atom CA of residue 569
Atom CA of residue 40
Atom CD2 of residue 119
LYS
Atom CA of residue 507
Atom CD1 of residue 6
Atom C of residue 130
CYS
LEU
ILE
Atom CA of residue 101
Atom CA of residue 104
Atom CA of residue 22
Atom N of residue 83
Atom CH2 of residue 103
Atom OE1 of residue 33
Atom CG of residue 154
Atom CE1 of residue 66
Atom O of residue 60
VAL
Atom CG2 of residue 34
Atom O of residue 124
Atom CA of residue 517
Atom CA of residue 84
Atom CA of residue 549
Atom CA of residue 50
ASP
Atom CA of residue 532
GLN
Atom CE of residue 46
Atom C of residue 53
LEU
Atom CG of residue 80
THR
Atom CA of residue 131
THR
PRO
TYR
Atom CD1 of residue 53
Atom CD1 of residue 47
GLN
ASP
Atom CA of residue 435
Atom CA of residue 73
Atom O of residue 4
Atom CG of residue 146
Atom CA of residue 50
Atom CA of residue 118
Atom O of residue 130
ASP
LEU
Atom C of residue 16
Atom CA of residue 97
Atom CB of residue 61
Atom CG2 of residue 92
Atom C of residue 74
HIS
Atom CB of residue 89
Atom CA of residue 564
Atom N of residue 104
ILE
Atom CD of residue 154
Atom CA of residue 493
ASP
Atom CB of residue 91
Atom CA of residue 88
Atom CD1 of residue 34
ASN
Atom CG of residue 41
Atom N of residue 111
Model 8
Atom CA of residue 131
Atom CB of residue 36
Atom CA of residue 2688
VAL
TYR
Atom O of residue 53
Atom CA of residue 55
LEU
GLU
Atom CA of residue 36
ILE
Atom CA of residue 73
Atom CD2 of residue 53
Atom CD2 of residue 47
Atom N of residue 40
Atom N of residue 75
ALA
Atom C of residue 54
Atom CA of residue 528
Atom CA of residue 85
ALA
PHE
Atom N of residue 141
Atom CA of residue 141
PHE
Atom CB of residue 73
Atom CD of residue 67
Atom OE1 of residue 20
MET
PHE
Atom CB of residue 51
ARG
Atom CD of residue 154
Atom CA of residue 94
THR
VAL
Atom O of residue 16
LYS
GLU
Atom CA of residue 82
Atom CD1 of residue 64
Atom N of residue 26
Atom OG of residue 61
Atom N of residue 93
Atom O of residue 74
Atom CG of residue 89
GLU
Atom CD of residue 32
ASP
Atom NE of residue 149
ILE
VAL
Atom CB of residue 89
Atom CA of residue 38
GLY
Atom CG of residue 91
Atom CA of residue 530
LYS
Atom CA of residue 23
ALA
ALA
Atom CD2 of residue 6
GLN
Atom CG of residue 36
TRP
Atom C of residue 113
Atom N of residue 98
PRO
Atom CA of residue 135
ALA
PHE
Atom CA of residue 71
Atom CD1 of residue 24
Atom CA of residue 92
MET
Atom CA of residue 130
HIS
Atom CA of residue 27
Atom O of residue 54
Atom CB of residue 137
ARG
Atom C of residue 66
ARG
Atom C of residue 45
Atom CG of residue 73
Atom CA of residue 26
GLU
Atom OE1 of residue 67
Atom CE of residue 154
Atom OG1 of residue 51
Atom CD2 of residue 64
VAL
Atom N of residue 33
Atom CA of residue 550
Atom CD1 of residue 41
Atom CA of residue 54
Atom CB of residue 60
Atom CB of residue 88
Atom CA of residue 533
Atom OG of residue 89
ALA
THR
Atom CA of residue 511
Atom CA of residue 15
LYS
Atom CA of residue 132
MET
Atom CA of residue 100
PRO
Atom NE2 of residue 126
THR
Atom CE2 of residue 66
Atom CE1 of residue 58
LYS
SER
Atom O of residue 113
GLU
Atom CA of residue 471
GLY
Atom CA of residue 35
Atom CD2 of residue 24
Atom CA of residue 58
Atom CA of residue 458
Atom CE of residue 154
Atom CA of residue 64
Atom CG of residue 137
Atom CA of residue 577
Atom N of residue 74
Atom O of residue 66
Atom CA of residue 6
LYS
Atom O of residue 45
THR
Atom CA of residue 474
Atom N of residue 120
ILE
Atom CA of residue 2678
Atom CA of residue 105
ALA
Atom CA of residue 437
Atom CA of residue 50
Atom CD1 of residue 134
CAlphaPDBSelector9
Atom OE2 of residue 33
Atom CG of residue 60
Atom CA of residue 65
Atom CG1 of residue 88
Atom CA of residue 91
Atom CA of residue 132
Atom CB of residue 60
LEU
THR
Atom CB of residue 124
Atom CA of residue 30
GLN
Atom CA of residue 107
Atom CA of residue 19
Atom OE2 of residue 20
Atom C of residue 147
Atom CA of residue 106
Atom CZ of residue 66
Atom CA of residue 97
PHE
Atom OE1 of residue 117
Atom CA of residue 529
Atom NZ of residue 46
Atom CA of residue 104
Atom CA of residue 570
VAL
Atom CA of residue 508
Atom NZ of residue 154
LEU
Atom CA of residue 102
Atom CA of residue 21
ASN
Atom CA of residue 105
THR
LEU
Atom CD1 of residue 80
TYR
Atom CD2 of residue 41
Atom N of residue 7
ALA
Atom CB of residue 130
GLN
THR
Atom CD2 of residue 134
Atom CA of residue 96
ALA
rigid bodies list
Atom CA of residue 85
Atom CA of residue 40
Atom CA of residue 41
ARG
GLU
VAL
Atom CG of residue 60
Atom C of residue 85
Atom N of residue 35
Atom CA of residue 136
Atom C of residue 141
Atom CG of residue 124
PRO
Atom CA of residue 2643
Atom NH2 of residue 149
Atom CA of residue 5
GLN
Atom NZ of residue 154
LYS
Atom C of residue 82
Atom CA of residue 436
Atom OG of residue 7
Atom CB of residue 53
ILE
SER
Atom CA of residue 68
Atom NE1 of residue 53
Atom N of residue 48
ILE
Atom CA of residue 98
1z5s_A.pdb RigidBodyHierarchy 0
Atom CA of residue 36
Atom CA of residue 565
Atom CD2 of residue 80
Atom CA of residue 551
ARG
Atom CA of residue 534
Atom CG of residue 130
Atom CA of residue 131
Atom CA of residue 494
GLU
Atom CA of residue 73
Atom CA of residue 512
Atom CB of residue 16
Atom CA of residue 89
Atom CA of residue 16
CYS
Atom CB of residue 74
VAL
Atom CA of residue 133
Atom C of residue 71
Atom CA of residue 29
Atom C of residue 27
VAL
Atom O of residue 85
Atom CA of residue 2689
HIS
SER
Atom CG of residue 146
Atom N of residue 62
Atom O of residue 141
Atom CA of residue 56
Atom CA of residue 83
Atom CD of residue 89
PHE
ALA
ARG
Atom O of residue 82
Atom N of residue 8
Atom CG of residue 53
LEU
Atom NE1 of residue 41
Atom CA of residue 71
GLU
Atom O of residue 77
SER
Atom N of residue 127
LYS
SER
PRO
Atom CA of residue 95
GLY
Atom CE2 of residue 58
Atom CB of residue 54
ILE
Atom SD of residue 36
Atom CA of residue 24
Atom OE2 of residue 67
Atom C of residue 100
Atom CA of residue 111
TYR
Atom CA of residue 133
PHE
Atom CG of residue 16
SER
ILE
Atom CE1 of residue 64
Atom CG of residue 74
ASP
Atom O of residue 150
ILE
Atom O of residue 71
Atom CD of residue 73
ARG
Atom CA of residue 3
Atom CG2 of residue 51
Atom CA of residue 40
Atom CA of residue 75
Atom O of residue 27
Atom CA of residue 530
ARG
LEU
Atom CA of residue 141
LEU
Atom OE1 of residue 89
ASN
Atom N of residue 34
Atom N of residue 155
TYR
Atom CA of residue 93
LYS
Atom N of residue 90
TYR
Atom CB of residue 113
PRO
Atom CA of residue 26
PHE
Atom CE1 of residue 24
SER
ASP
ASN
ALA
Atom CZ of residue 58
Atom CG of residue 54
Atom N of residue 47
Atom CE of residue 36
Atom CB of residue 66
Atom CA of residue 19
Atom CB of residue 45
VAL
ALA
Atom CA of residue 55
Atom O of residue 100
Atom N of residue 21
Atom C of residue 106
Atom CD1 of residue 137
Atom CA of residue 98
MET
Atom CA of residue 137
Atom CD of residue 76
GLU
Atom N of residue 74
Atom CA of residue 25
Atom N of residue 52
Atom N of residue 155
Atom N of residue 67
THR
Atom CA of residue 472
Atom NE of residue 147
Atom CA of residue 36
ILE
Atom CA of residue 59
Atom CA of residue 459
Atom OD1 of residue 60
Atom CA of residue 69
Atom CG2 of residue 88
Atom C of residue 9
GLY
Atom C of residue 96
Atom NE2 of residue 117
Atom CA of residue 578
Atom CG of residue 113
LYS
Atom CA of residue 475
Atom C of residue 41
Atom CA of residue 552
Atom ND2 of residue 40
Atom CA of residue 72
Atom CA of residue 2679
Atom CA of residue 106
Atom CA of residue 535
Atom CA of residue 132
VAL
ALA
Atom CA of residue 51
GLY
LEU
Atom CD2 of residue 38
Atom CG of residue 66
Atom CA of residue 93
Atom CG1 of residue 45
Atom CA of residue 134
Atom CA of residue 66
Atom CE2 of residue 53
Atom CA of residue 92
Atom O of residue 106
Atom CA of residue 438
Atom CE1 of residue 134
LYS
Atom CD2 of residue 137
TYR
Atom CA of residue 37
Atom CA of residue 31
GLY
Atom CA of residue 108
PHE
ASP
GLU
Atom CA of residue 98
Atom CA of residue 105
Atom CA of residue 74
Atom CA of residue 571
Atom CA of residue 2
Atom CA of residue 120
ILE
Atom CA of residue 509
ASP
Atom CE2 of residue 41
Atom ND2 of residue 60
Atom CA of residue 501
Atom CD1 of residue 88
LEU
SER
Atom CA of residue 103
Atom CD1 of residue 60
Atom O of residue 96
Atom CA of residue 22
Atom CA of residue 106
Atom OD1 of residue 124
LEU
Atom O of residue 41
Atom CA of residue 104
PRO
Atom CA of residue 2
Atom CA of residue 141
Atom C of residue 29
Atom CA of residue 134
TYR
Atom CA of residue 86
Atom C of residue 83
Atom CA of residue 41
Atom N of residue 81
Atom CA of residue 33
TYR
LEU
Atom CE3 of residue 53
PHE
ALA
Atom CA of residue 74
Atom CA of residue 531
GLY
Atom CA of residue 2644
Atom N of residue 68
Atom CA of residue 155
GLU
Atom CA of residue 7
Atom CD of residue 130
ILE
Atom CB of residue 85
Atom CA of residue 437
Atom CE2 of residue 64
Atom CB of residue 141
PRO
Atom C of residue 111
Atom CA of residue 536
GLU
ILE
Atom CD2 of residue 60
Atom CA of residue 99
Atom CB of residue 82
Atom ND2 of residue 124
Atom CA of residue 566
TYR
Atom CA of residue 74
GLN
Atom C of residue 40
Atom O of residue 29
Atom C of residue 75
Atom CA of residue 495
Atom CA of residue 90
Atom CA of residue 35
ASN
Atom CA of residue 138
Atom N of residue 15
Atom C of residue 141
Atom CD of residue 53
SER
Atom O of residue 83
GLY
Atom CE2 of residue 24
Atom CA of residue 5
Atom CA of residue 155
TYR
Atom CA of residue 2690
ALA
Atom C of residue 26
Atom CA of residue 67
Atom CA of residue 57
Atom CB of residue 71
LYS
SER
Atom CE3 of residue 41
GLY
GLN
Atom CA of residue 48
Atom OE1 of residue 130
Atom CB of residue 27
Atom CD1 of residue 16
Atom CG of residue 85
HIS
Atom CZ of residue 64
Atom CA of residue 62
Atom CG of residue 141
Atom CD of residue 74
Atom OE2 of residue 89
LYS
Atom CA of residue 553
Atom CA of residue 20
THR
Atom O of residue 111
ALA
ARG
Atom CA of residue 96
GLY
Atom CA of residue 133
TYR
ASN
Atom N of residue 59
ALA
Atom N of residue 39
Atom CG of residue 82
Atom C of residue 98
Atom CA of residue 25
Atom CA of residue 135
Atom O of residue 40
Atom O of residue 75
GLN
LEU
Atom N of residue 118
ALA
Atom N of residue 37
ILE
Atom CA of residue 38
Atom O of residue 141
Atom OE1 of residue 53
THR
Atom CZ of residue 24
Atom CB of residue 100
Atom C of residue 155
VAL
ALA
Atom CD of residue 54
PRO
UnaryFunction2
Atom O of residue 26
ASP
GLU
SER
Atom OG of residue 71
LYS
Atom CA of residue 94
PRO
ALA
Atom CA of residue 127
TYR
Atom CG1 of residue 27
Atom CE2 of residue 134
Atom CD2 of residue 16
ARG
ALA
Atom C of residue 93
Atom CE of residue 74
Atom CA of residue 11
Atom CA of residue 21
Atom CA of residue 142
Atom CA of residue 68
Atom CA of residue 90
Atom CA of residue 135
LYS
Atom O of residue 98
CYS
LYS
Atom CA of residue 27
Atom CA of residue 56
Atom C of residue 155
GLU
Atom CA of residue 532
ASN
Atom CD1 of residue 113
Atom C of residue 74
Atom CB of residue 15
GLN
Atom C of residue 120
Atom CA of residue 34
Atom CZ2 of residue 41
LYS
Atom CG of residue 100
Atom CB of residue 106
Atom CA of residue 41
Atom NE of residue 54
Atom CE1 of residue 137
Atom CA of residue 473
Atom OD1 of residue 66
Atom CB of residue 83
Atom CG2 of residue 45
Atom C of residue 104
LYS
Atom CA of residue 37
Atom CA of residue 60
Atom CA of residue 460
Atom N of residue 4
Atom C of residue 7
Atom CA of residue 537
ALA
Atom CZ of residue 134
Atom CA of residue 47
Atom CA of residue 579
Atom CA of residue 516
PHE
ALA
Atom O of residue 93
PRO
Atom CA of residue 476
Atom C of residue 33
THR
Atom N of residue 61
Atom CA of residue 2680
Atom N of residue 89
Atom CA of residue 107
ASP
Atom N of residue 97
Atom CA of residue 139
Atom CB of residue 41
Atom O of residue 155
Atom CA of residue 67
Atom CZ2 of residue 53
Atom CA of residue 93
Atom CA of residue 439
LEU
Atom CD2 of residue 113
Atom O of residue 74
Atom CA of residue 50
Atom CA of residue 32
VAL
Atom O of residue 120
Atom CA of residue 109
Atom CA of residue 50
Atom N of residue 107
Atom CA of residue 99
Atom CE of residue 146
MET
Atom CA of residue 106
Atom OD2 of residue 66
Atom CA of residue 572
Atom CA of residue 43
Atom CD1 of residue 45
Atom O of residue 104
Atom CA of residue 554
PRO
LYS
Atom CA of residue 20
Atom CA of residue 502
VAL
ILE
Atom CA of residue 134
THR
Atom CA of residue 104
Atom C of residue 35
Atom CA of residue 107
HIS
Atom O of residue 33
Atom CA of residue 136
Atom CA of residue 37
SER
GLU
Atom O of residue 155
Atom CA of residue 67
Atom N of residue 61
GLY
ILE
Atom CB of residue 21
Atom N of residue 125
LYS
Atom CA of residue 87
Atom N of residue 90
Atom OG1 of residue 41
Atom CZ3 of residue 41
GLY
Atom CZ3 of residue 53
Atom C of residue 48
Atom CB of residue 29
Atom CA of residue 75
Atom C of residue 62
GLU
Atom CA of residue 2645
Atom CA of residue 74
GLN
Atom CA of residue 52
GLY
Atom CA of residue 20
ALA
LEU
Atom N of residue 65
Atom N of residue 16
Atom CA of residue 143
Atom NE2 of residue 130
Atom CA of residue 136
LEU
Atom CA of residue 100
Atom CA of residue 40
Atom CA of residue 438
Atom O of residue 35
GLN
Atom CA of residue 567
Atom CA of residue 81
HIS
GLY
Atom CB of residue 155
Atom CB of residue 111
Atom CA of residue 496
Atom C of residue 20
Atom CA of residue 533
Atom OD1 of residue 85
Atom CA of residue 91
MET
Atom CD of residue 141
ILE
ARG
VAL
Atom N of residue 25
Atom CA of residue 68
Atom C of residue 127
Atom O of residue 48
Atom O of residue 7
Atom CB of residue 40
Atom OG1 of residue 29
Atom CB of residue 75
TRP
ARG
Atom SD of residue 82
Atom CA of residue 2691
PHE
Atom CA of residue 15
Atom CB of residue 141
Atom O of residue 62
Atom NE2 of residue 53
Atom CA of residue 58
ALA
LEU
Atom CA of residue 12
GLN
Atom C of residue 21
Atom CA of residue 538
TYR
Atom C of residue 90
SER
Atom CA of residue 23
LYS
Atom CB of residue 26
TRP
python stream
VAL
ILE
ASN
ALA
ILE
Atom CB of residue 155
ARG
Atom CA of residue 97
Atom CA of residue 11
Atom NE1 of residue 16
Atom CE2 of residue 137
GLN
Atom O of residue 40
Atom CA of residue 39
Atom CA of residue 140
Atom NZ of residue 74
Atom CA of residue 28
Atom N of residue 72
Atom C of residue 34
Atom CH2 of residue 41
Atom CG of residue 111
GLU
Atom CG2 of residue 27
ALA
Atom ND2 of residue 85
THR
Atom CB of residue 98
GLY
Atom CA of residue 37
Atom NE of residue 141
Atom CA of residue 26
ILE
VAL
GLY
Atom O of residue 127
Atom CB of residue 7
Atom CG of residue 40
Atom CG of residue 75
Atom CZ of residue 77
Atom C of residue 47
ALA
Atom CE of residue 82
SER
Atom CG of residue 141
Atom CA of residue 555
Atom O of residue 21
Atom CA of residue 95
PHE
GLU
Atom CA of residue 135
Atom O of residue 90
ILE
Atom OH of residue 134
Atom CZ of residue 54
LYS
ILE
Atom CG1 of residue 26
1z5s_A.pdb
Atom CA of residue 137
Atom CA of residue 13
Atom CA of residue 38
Atom OD1 of residue 100
Atom O of residue 21
Atom CA of residue 118
ALA
Atom CZ of residue 137
Atom CA of residue 37
LEU
Atom CB of residue 93
Atom CA of residue 76
PRO
Atom O of residue 34
Atom CA of residue 28
Atom CA of residue 57
Atom CD1 of residue 27
Atom CG of residue 98
LYS
Atom C of residue 43
Atom N of residue 3
PRO
Atom CA of residue 42
Atom CA of residue 59
Atom O of residue 47
Atom N of residue 114
Atom CB of residue 74
Atom CA of residue 474
Atom CB of residue 120
Atom CA of residue 74
Atom CA of residue 61
Atom CA of residue 461
Atom CA of residue 144
Atom CG of residue 155
LYS
Atom C of residue 67
Atom CA of residue 137
Atom O of residue 20
Atom N of residue 135
Atom CA of residue 97
Atom CA of residue 580
LEU
ASN
Atom N of residue 67
Atom N of residue 46
ASN
Atom CA of residue 477
Atom CB of residue 104
Atom N of residue 42
Atom OD2 of residue 100
Atom CA of residue 2681
Atom CA of residue 108
ALA
ILE
Atom CA of residue 8
ASN
Atom SG of residue 93
Atom CB of residue 33
Atom CA of residue 68
Atom C of residue 52
Atom N of residue 131
Atom CA of residue 94
Atom CA of residue 440
ASP
Atom CA of residue 52
Atom CA of residue 51
Atom CA of residue 33
PRO
Atom O of residue 43
LEU
Atom CA of residue 110
Atom CG2 of residue 25
Atom CA of residue 7
Atom CA of residue 51
Atom CH2 of residue 53
Atom CA of residue 539
THR
Atom CA of residue 100
Atom CA of residue 141
Atom CA of residue 107
LEU
Atom CG of residue 74
Atom CA of residue 573
Atom CG of residue 120
Atom C of residue 81
Atom CG2 of residue 41
TYR
Atom CA of residue 61
Atom CA of residue 2
Atom CA of residue 503
Atom CA of residue 89
LEU
Atom CA of residue 12
Atom O of residue 67
Atom CA of residue 105
Atom CA of residue 108
Atom CA of residue 74
ASP
Atom CZ of residue 149
Atom N of residue 54
PRO
LEU
Atom CG of residue 104
Atom C of residue 68
GLY
Atom CB of residue 35
Atom C of residue 15
Atom CA of residue 38
VAL
Atom CA of residue 88
Atom CG of residue 33
LEU
GLY
Atom O of residue 52
Atom C of residue 12
ALA
Atom CA of residue 76
Atom CE2 of residue 16
ILE
Atom N of residue 75
VAL
Atom CA of residue 2662
Atom CA of residue 141
THR
Atom N of residue 54
Atom CB of residue 48
TYR
Atom CD1 of residue 155
Atom CA of residue 136
TYR
GLN
Atom CD1 of residue 91
Atom C of residue 39
Atom CB of residue 62
Atom CA of residue 16
Atom O of residue 81
Atom N of residue 42
Atom CA of residue 138
ASP
GLU
ALA
Atom CG2 of residue 29
PRO
Atom CA of residue 101
Atom CA of residue 439
ARG
Atom CA of residue 90
Atom CA of residue 568
TRP
Atom O of residue 68
VAL
Atom NH1 of residue 54
Atom CA of residue 92
Atom CG of residue 35
Atom O of residue 15
LYS
LEU
Atom CA of residue 107
GLU
Atom CB of residue 20
GLY
ARG
ARG
Atom N of residue 86
Atom CA of residue 24
Atom CA of residue 2692
ASN
LEU
Atom CZ of residue 141
CYS
ASN
Atom CA of residue 59
TYR
ARG
THR
Atom CG of residue 83
Atom CB of residue 127
Atom CG of residue 48
Atom CD of residue 111
Atom CA of residue 145
ARG
Atom CA of residue 138
Atom CD2 of residue 91
Atom C of residue 8
Atom C of residue 118
LEU
Atom O of residue 39
Atom N of residue 83
Atom C of residue 37
Atom CG of residue 62
SER
Atom N of residue 26
Atom CA of residue 16
Atom CA of residue 42
Atom CB of residue 21
VAL
Atom CB of residue 4
THR
Atom SD of residue 40
Atom CA of residue 98
Atom ND1 of residue 75
Atom N of residue 30
Atom CA of residue 498
Atom N of residue 91
Atom OH of residue 137
LEU
LEU
Atom CD of residue 141
Atom CA of residue 29
GLN
PHE
Atom C of residue 59
Atom NH2 of residue 54
LEU
Atom CG2 of residue 26
Atom CA of residue 65
Atom CA of residue 27
ARG
LYS
Atom CB of residue 34
Atom CA of residue 72
Atom CA of residue 39
ASN
Atom CA of residue 540
Atom CD2 of residue 155
ILE
Atom N of residue 28
Atom C of residue 97
Atom CA of residue 142
VAL
ILE
CYS
Atom CB of residue 146
CYS
Atom CA of residue 96
ASN
Atom CG of residue 127
Atom OE1 of residue 111
Atom CA of residue 13
Atom O of residue 118
Atom CB of residue 47
GLU
Atom O of residue 37
Atom CD of residue 98
THR
LYS
ALA
Atom CA of residue 25
Atom CG of residue 21
Atom O of residue 12
Atom CE of residue 40
Atom CD2 of residue 75
THR
THR
Atom N of residue 138
Atom CA of residue 41
Atom CA of residue 39
Atom NE of residue 141
Atom CA of residue 58
Atom N of residue 101
PRO
Atom O of residue 59
Atom N of residue 27
Atom CA of residue 142
Atom CG1 of residue 34
Atom C of residue 61
Atom C of residue 89
GLU
Atom CA of residue 137
GLY
CYS
Atom O of residue 97
Atom CA of residue 475
Atom CB of residue 76
Atom N of residue 94
Atom CB of residue 43
Atom CA of residue 139
Atom CA of residue 62
Atom CA of residue 66
Atom C of residue 42
Atom CA of residue 462
Atom CG of residue 47
Atom CA of residue 581
ALA
Atom OE1 of residue 98
SER
Atom CA of residue 478
Atom CA of residue 29
Atom CA of residue 41
Atom CA of residue 2682
Atom C of residue 2
Atom CA of residue 109
Atom CB of residue 67
Atom CG of residue 20
Atom OD1 of residue 74
Atom CA of residue 75
Atom CA of residue 23
Atom CD1 of residue 120
LYS
Atom CA of residue 69
MET
Atom CE1 of residue 155
Atom CA of residue 95
Atom CA of residue 449
VAL
LEU
GLY
Atom CA of residue 114
Atom CA of residue 53
Atom C of residue 16
Atom CA of residue 34
ALA
MET
Atom CD of residue 104
Atom CA of residue 111
Atom O of residue 61
Atom ND1 of residue 83
Atom CB of residue 52
Atom O of residue 89
Atom CA of residue 146
SER
Atom CA of residue 139
Atom CA of residue 101
Atom CB of residue 6
Atom CA of residue 108
Atom CA of residue 67
Atom CA of residue 574
LEU
Atom C of residue 90
Atom SG of residue 43
Atom CA of residue 46
Atom OD1 of residue 33
GLU
Atom CA of residue 504
GLU
MET
Atom CA of residue 106
Atom CA of residue 109
Atom NH1 of residue 141
LEU
Atom N of residue 82
THR
Atom CA of residue 34
THR
Atom CG of residue 9
Atom CA of residue 131
Atom CG of residue 67
Atom C of residue 107
Atom CE3 of residue 16
Atom CA of residue 150
Atom ND2 of residue 74
ILE
Atom CD2 of residue 120
VAL
Atom N of residue 69
VAL
Atom CA of residue 541
TYR
Atom CA of residue 441
Atom CA of residue 29
Atom CA of residue 77
Atom CA of residue 143
ILE
Atom O of residue 16
LYS
Atom NE of residue 104
GLN
Atom O of residue 42
Atom CD2 of residue 83
GLY
Atom CG of residue 52
Atom CB of residue 12
LYS
Atom CA of residue 14
LEU
UpdateRigidBodyMembers11
Atom ND1 of residue 35
P2113
Atom CA of residue 54
Atom O of residue 90
Atom OD2 of residue 33
CYS
Atom CA of residue 102
Atom CB of residue 39
Atom CA of residue 440
TRP
Atom C of residue 65
GLY
Atom NH2 of residue 141
Atom CA of residue 569
MET
Atom CA of residue 39
Atom C of residue 72
PRO
Atom CD of residue 48
LYS
Atom O of residue 107
Atom N of residue 55
Atom CZ2 of residue 16
Atom CG2 of residue 148
Atom CA of residue 93
Atom CD1 of residue 62
Atom CA of residue 75
GLN
Atom CA of residue 143
GLN
Atom CA of residue 138
GLN
PRO
GLU
Atom CA of residue 25
AccumulateRigidBodyDerivatives11
Atom CA of residue 2693
LYS
Atom CA of residue 2647
Atom CA of residue 60
Atom CA of residue 140
Atom C of residue 25
MET
ASP
Atom CA of residue 91
LEU
Atom CD2 of residue 35
SER
TRP
LYS
Atom NE2 of residue 111
ILE
Atom CA of residue 99
Atom CA of residue 499
Atom CD of residue 20
Atom CB of residue 118
ILE
Atom CB of residue 37
Atom CG of residue 39
CYS
Atom O of residue 65
Atom CA of residue 24
Atom CA of residue 30
GLY
Atom O of residue 72
Atom CA of residue 26
Atom CE of residue 48
Atom OD1 of residue 127
ALA
Atom N of residue 41
Atom CE2 of residue 155
Atom CE1 of residue 75
THR
GLN
Atom CA of residue 135
GLU
Atom CA of residue 86
CYS
MET
Atom CD2 of residue 62
Atom CZ of residue 141
Atom CA of residue 28
Atom CA of residue 140
GLN
Atom CB of residue 42
Atom CD1 of residue 21
GLU
Atom CA of residue 140
Atom CB of residue 59
Atom CG of residue 117
THR
Atom CA of residue 83
ILE
SER
Atom O of residue 25
Atom CA of residue 97
ILE
GLU
SER
Atom CG of residue 6
ILE
Atom CA of residue 42
Atom CG2 of residue 34
GLY
Atom NH1 of residue 147
Atom CG of residue 118
Atom CG of residue 37
Atom OE2 of residue 98
Atom C of residue 114
Atom CA of residue 42
GLU
Atom CA of residue 59
Atom CG of residue 12
Atom OD2 of residue 127
Atom CA of residue 542
THR
CYS
THR
Atom CA of residue 144
Atom CD1 of residue 47
Atom C of residue 67
Atom CB of residue 146
Atom CA of residue 142
Atom C of residue 46
ASN
Atom CD2 of residue 21
Atom CA of residue 15
Atom CG of residue 59
Atom CD of residue 117
P2115
Atom CA of residue 476
Atom CA of residue 63
Atom CA of residue 463
Atom CB of residue 61
Atom CB of residue 89
Atom C of residue 131
Atom CA of residue 582
PHE
PHE
Atom CA of residue 94
ALA
Atom CA of residue 479
Atom CD1 of residue 34
Atom CA of residue 69
Atom CA of residue 101
Atom CA of residue 42
Atom CA of residue 2683
Atom CA of residue 110
Atom CA of residue 147
Atom CZ of residue 155
Atom CA of residue 30
Atom O of residue 148
Atom O of residue 114
Atom CA of residue 76
Atom N of residue 44
Atom CA of residue 144
Atom CA of residue 70
Atom CA of residue 3
Atom CA of residue 139
Atom CA of residue 96
Atom CA of residue 28
ASN
Atom CD2 of residue 47
SER
Atom N of residue 75
Atom CA of residue 54
Atom O of residue 67
Atom C of residue 54
Atom CA of residue 35
NullModifier1
LEU
ASN
Atom O of residue 46
Atom N of residue 121
Atom CA of residue 74
Atom CA of residue 112
MET
Atom CG of residue 42
Atom CA of residue 54
Atom CD of residue 67
Atom CA of residue 102
Atom OE1 of residue 20
Atom C of residue 38
LYS
Atom CA of residue 109
Atom CA of residue 575
Atom CB of residue 16
Atom CA of residue 82
Atom CZ of residue 104
Atom OG of residue 61
Atom CE1 of residue 83
Atom CA of residue 505
Atom CG of residue 89
Atom O of residue 131
GLU
GLN
Atom CA of residue 107
Atom CA of residue 442
Atom CA of residue 110
Atom CA of residue 25
Atom N of residue 142
Atom C of residue 75
Atom CE1 of residue 91
PRO
Atom N of residue 34
Atom CA of residue 69
Atom O of residue 5
Atom CD of residue 52
LEU
Atom CZ3 of residue 16
TYR
ALA
GLY
NormalizeRotation1
VAL
ALA
ILE
Atom N of residue 112
ASP
Atom C of residue 91
Atom CB of residue 107
Atom CA of residue 74
Atom CA of residue 30
Atom CA of residue 61
Atom CA of residue 78
HIS
GLY
Atom CA of residue 27
ProbabilisticAnchorGraph1
Atom O of residue 54
VAL
ASN
GLY
Atom NE2 of residue 75
Atom OE1 of residue 67
ILE
Atom CZ of residue 8
Atom O of residue 38
Atom CG of residue 16
Atom NH1 of residue 141
Chain A
Atom C of residue 26
VAL
Atom CG2 of residue 148
Atom N of residue 156
LYS
Atom C of residue 135
Atom C of residue 86
Atom CA of residue 103
1z5s_C1.pdb rigid body positions
Atom CA of residue 449
Atom CE1 of residue 35
GLU
Chain A
VAL
Atom O of residue 75
Atom CA of residue 570
GLY
TYR
Atom CA of residue 40
MET
Atom N of residue 53
Atom CD of residue 12
Atom CA of residue 543
ASN
Atom CH2 of residue 16
Atom CA of residue 145
Atom C of residue 83
Atom CA of residue 94
Atom CB of residue 65
Atom CA of residue 143
Atom CB of residue 72
Atom NZ of residue 48
ILE
Atom CA of residue 16
Atom O of residue 91
Atom CG1 of residue 107
Atom C of residue 61
ILE
Atom CA of residue 138
Atom SD of residue 39
Atom N of residue 99
VAL
Atom N of residue 63
Atom CA of residue 2648
Atom CA of residue 61
Atom C of residue 42
LEU
1z5s_D.pdb rigid body positions
Atom CA of residue 40
THR
Atom N of residue 76
GLN
Atom CA of residue 26
VAL
Atom NH2 of residue 141
Atom CA of residue 89
VAL
Atom CB of residue 25
Atom O of residue 26
Atom CA of residue 70
GLU
LYS
LYS
ARG
Atom CA of residue 100
Atom CA of residue 500
Atom O of residue 135
Atom O of residue 86
ILE
Atom CA of residue 441
LYS
Atom CA of residue 31
Atom CA of residue 145
VAL
Atom CA of residue 141
GLY
Atom OE2 of residue 20
Atom O of residue 83
P2116
Atom CG of residue 65
Atom CA of residue 37
LYS
ILE
Atom CG of residue 72
Atom CD of residue 42
Atom N of residue 128
Atom C of residue 28
Atom CD of residue 118
ILE
Atom OD1 of residue 37
Atom CE of residue 39
GLU
PHE
ARG
Atom C of residue 94
Atom O of residue 42
Atom CE1 of residue 21
Atom C of residue 101
Atom CA of residue 570
SER
ALA
Atom C of residue 30
SER
Atom CA of residue 55
LYS
PRO
Atom CA of residue 50
SER
Atom CG1 of residue 25
LEU
Atom CB of residue 5
ASN
Atom CA of residue 41
Atom CD of residue 59
GLU
PRO
GLU
Atom CE2 of residue 91
Atom NH1 of residue 104
Atom N of residue 35
Atom CA of residue 60
Atom NE2 of residue 83
Atom C of residue 54
ALA
LYS
LYS
Atom CB of residue 114
Atom CA of residue 29
Atom C of residue 82
Atom CA of residue 50
PRO
Atom O of residue 28
Atom CA of residue 9
Atom OE1 of residue 118
Atom N of residue 48
Atom ND2 of residue 37
Atom CA of residue 477
Atom CB of residue 67
Atom O of residue 94
Atom CB of residue 46
Atom CA of residue 75
Atom CA of residue 64
ILE
Atom C of residue 69
Atom CA of residue 464
Atom O of residue 101
PRO
LEU
Atom OE1 of residue 12
Atom CA of residue 156
Atom O of residue 30
Atom CA of residue 583
LeavesRefiner2
LEU
Atom CA of residue 480
GLU
Atom CA of residue 2684
Atom CA of residue 111
Atom CA of residue 544
Atom CA of residue 148
Atom CB of residue 131
ARG
Atom CE of residue 59
Atom CA of residue 146
Atom CA of residue 77
Atom C of residue 27
Atom CA of residue 144
Atom CZ of residue 91
Atom NH2 of residue 104
HIS
Atom N of residue 62
Atom N of residue 84
Atom CA of residue 71
Atom O of residue 54
Atom CD of residue 89
Atom CA of residue 17
Atom CA of residue 97
Atom NE2 of residue 35
Atom CG of residue 114
Atom CA of residue 55
GLN
Atom CA of residue 36
ALA
SER
Atom CA of residue 44
Atom O of residue 82
Atom CA of residue 113
Atom CA of residue 75
Atom CA of residue 103
Atom NH1 of residue 8
LYS
VAL
Atom CA of residue 110
Atom CG of residue 67
Atom CA of residue 576
Atom CB of residue 54
Atom CG of residue 46
Atom CB of residue 40
Atom CA of residue 71
Atom O of residue 69
Atom CA of residue 506
Atom N of residue 49
Atom CG of residue 149
ASP
LYS
Atom OE2 of residue 67
Atom CA of residue 108
Atom CA of residue 443
Atom CB of residue 38
UnaryFunction1
P2117
Atom CA of residue 111
Atom CA of residue 29
GLY
Atom CA of residue 146
Atom OE1 of residue 42
SER
Atom N of residue 132
LYS
Atom C of residue 138
Atom CA of residue 75
Atom O of residue 27
Atom CD1 of residue 16
Atom CB of residue 75
Atom CA of residue 121
LEU
ASP
TRP
Atom OE1 of residue 89
Atom CA of residue 31
Atom CA of residue 79
Atom N of residue 17
Atom N of residue 36
LYS
ILE
Atom C of residue 4
Atom C of residue 156
THR
Atom CB of residue 91
ILE
Atom O of residue 61
GLY
Atom N of residue 142
Atom CG of residue 54
Atom CA of residue 34
Atom CA of residue 29
GLU
HIS
Atom CG2 of residue 107
HIS
Atom N of residue 21
Atom CG of residue 38
Atom CA of residue 104
Atom NE of residue 149
SER
TYR
Atom CA of residue 571
LYS
Atom CA of residue 41
Atom CB of residue 26
ASN
Atom CE2 of residue 21
Atom CA of residue 14
Atom CA of residue 112
GLY
PRO
Atom CB of residue 135
Atom CB of residue 86
Atom O of residue 138
Atom CD2 of residue 16
Atom SG of residue 75
Atom CA of residue 90
GLY
Atom C of residue 13
GLY
Atom C of residue 55
ARG
Atom CB of residue 83
PairScore 0
Atom CA of residue 442
SER
Atom CA of residue 142
Atom CA of residue 2649
Atom CA of residue 62
CYS
PHE
ASP
SER
Atom C of residue 41
Atom OG1 of residue 91
Atom CB of residue 61
THR
Atom CA of residue 27
Atom N of residue 40
Atom CD of residue 65
VAL
PHE
Atom CB of residue 42
Atom CD of residue 72
LEU
GLN
Atom CA of residue 545
VAL
Atom CA of residue 101
Atom CA of residue 501
Atom CD1 of residue 107
LEU
PHE
Atom CA of residue 4
Atom CA of residue 145
Atom CA of residue 32
LYS
Atom N of residue 27
Atom CZ of residue 21
Atom CA of residue 571
Atom CA of residue 147
Atom CA of residue 18
Atom CA of residue 73
GLY
Atom OG1 of residue 135
Atom CG1 of residue 86
Atom CA of residue 99
SER
Atom CA of residue 63
ILE
LEU
Atom N of residue 12
Atom O of residue 156
CYS
Atom O of residue 55
LYS
Atom N of residue 84
P2118
ALA
Atom CA of residue 72
Atom OE2 of residue 42
Atom CA of residue 8
SER
Atom O of residue 41
Atom N of residue 29
PRO
Atom OE2 of residue 118
Atom N of residue 38
ASN
GLN
THR
Atom CE of residue 65
Atom CA of residue 51
Atom CA of residue 30
Atom CB of residue 94
Atom OG1 of residue 42
Atom N of residue 73
Atom CB of residue 101
Atom CB of residue 30
TYR
Atom NH2 of residue 13
1z5s_A.pdb
Atom OH of residue 91
Atom C of residue 44
Atom N of residue 105
Atom CA of residue 61
PRO
Atom CA of residue 53
Atom CA of residue 128
Atom N of residue 68
ASN
Atom NZ of residue 59
Atom CA of residue 51
VAL
Atom CB of residue 54
Atom CA of residue 147
Atom CA of residue 478
GLU
Atom CB of residue 82
Atom CA of residue 76
Atom CA of residue 65
Atom CA of residue 497
THR
ARG
MET
GLN
Atom NE of residue 147
Atom CA of residue 584
LEU
Atom C of residue 75
Atom CD1 of residue 114
Atom CG of residue 94
GLU
GLU
Atom CA of residue 481
Atom C of residue 121
Atom CA of residue 35
Atom CB of residue 69
Atom CG of residue 101
Atom CA of residue 2685
Atom CA of residue 112
Atom CA of residue 149
TYR
Atom CG of residue 30
Atom CA of residue 78
Chain A
Atom OD1 of residue 67
Atom CA of residue 27
Atom N of residue 92
Atom O of residue 44
Atom CD of residue 46
PRO
Atom CA of residue 72
Atom CB of residue 156
Atom CA of residue 75
Atom CA of residue 76
SER
GLY
Atom N of residue 77
Atom CA of residue 48
PHE
Atom CA of residue 56
Atom CB of residue 27
Atom CA of residue 37
THR
LEU
Atom C of residue 34
Atom CA of residue 147
Atom CA of residue 114
Atom CA of residue 62
Atom CG of residue 54
Atom OE2 of residue 89
GLU
Atom CA of residue 76
Atom CA of residue 104
ILE
Atom CA of residue 111
Atom CA of residue 577
Atom CA of residue 3
Atom CG of residue 82
LEU
ILE
Atom CA of residue 507
Atom C of residue 112
Atom CA of residue 546
LYS
ALA
Atom CA of residue 109
Atom CA of residue 444
P2113
Atom O of residue 75
Atom CD2 of residue 114
Atom CA of residue 112
Atom CA of residue 30
Atom CA of residue 146
Atom CA of residue 65
Atom O of residue 121
Atom CG of residue 69
Atom CA of residue 81
GLU
Atom CA of residue 19
P2119
Atom OD2 of residue 67
Atom C of residue 142
Atom CD of residue 54
Atom N of residue 47
GLU
GLU
Atom CA of residue 443
Atom CA of residue 32
Atom N of residue 14
Atom CA of residue 80
Atom CD1 of residue 38
Atom CB of residue 138
SER
Atom CG1 of residue 27
Atom NE1 of residue 16
PRO
Atom O of residue 34
VAL
Atom CA of residue 49
LEU
Atom CA of residue 21
ASP
Atom N of residue 76
ASN
Atom CA of residue 30
Atom CA of residue 5
Atom O of residue 112
GLU
Atom CG of residue 61
Atom CD of residue 21
Atom CA of residue 105
KClosePairsPairScore 0
Atom C of residue 99
Atom C of residue 63
Atom CA of residue 572
Atom CA of residue 42
SER
Atom OH of residue 21
ILE
Atom N of residue 157
Atom CG2 of residue 91
Atom N of residue 108
Atom N of residue 119
Atom O of residue 142
Atom NE of residue 54
Atom CA of residue 91
Atom N of residue 43
ARG
Atom SG of residue 138
Atom C of residue 41
LEU
Atom CA of residue 52
SER
VAL
Atom O of residue 21
Atom CA of residue 2650
Atom CA of residue 63
LYS
VAL
LYS
VAL
Atom N of residue 60
Atom CB of residue 55
Atom CG2 of residue 135
Atom CG2 of residue 86
LEU
Atom CA of residue 28
LYS
LYS
Atom CA of residue 84
ASN
Atom C of residue 53
Atom C of residue 128
ILE
ARG
Atom CB of residue 41
Atom CA of residue 132
Atom CA of residue 102
ASP
Atom CA of residue 502
PRO
GLU
Atom O of residue 99
GLU
Atom NZ of residue 65
Atom O of residue 63
LEU
PRO
Atom N of residue 22
Atom CA of residue 572
Atom N of residue 9
CYS
Atom N of residue 92
THR
LEU
Atom CA of residue 142
THR
Atom CG2 of residue 42
ARG
LEU
ALA
Atom CA of residue 29
LYS
GLN
Atom C of residue 40
ARG
Atom C of residue 35
Atom CA of residue 35
GLY
PHE
Atom CA of residue 547
GLU
LEU
Atom CG of residue 55
Atom CA of residue 17
Atom N of residue 136
Atom N of residue 87
P2120
ILE
LYS
Atom CA of residue 31
LYS
Atom NH1 of residue 149
Atom CA of residue 41
Atom O of residue 53
Atom N of residue 90
Atom O of residue 128
Atom OG1 of residue 41
PRO
Atom CA of residue 38
Atom C of residue 76
Atom C of residue 48
Atom CG of residue 76
Atom CA of residue 62
Atom C of residue 62
LEU
PRO
ARG
Atom CD1 of residue 94
LEU
GLN
Atom CB of residue 44
Atom N of residue 43
CYS
Atom CD of residue 101
Atom CD of residue 30
Atom CA of residue 148
Atom CA of residue 38
Atom CA of residue 479
Atom CA of residue 77
Atom O of residue 35
Atom CA of residue 39
LYS
PRO
Atom CD of residue 61
Atom CA of residue 585
Atom CE2 of residue 16
Atom CA of residue 42
Atom CA of residue 482
Atom CA of residue 27
Atom CA of residue 2686
Atom CD of residue 54
VAL
Atom CA of residue 113
Atom CA of residue 150
Atom CA of residue 157
THR
Atom O of residue 76
Atom CA of residue 68
Atom O of residue 48
Atom C of residue 84
Atom CB of residue 75
Atom N of residue 115
Atom CA of residue 79
Atom CA of residue 147
Atom SD of residue 82
Atom CB of residue 121
Atom O of residue 62
Atom CA of residue 73
Atom CA of residue 6
Atom C of residue 49
Atom CA of residue 76
Atom C of residue 21
ALA
Atom CA of residue 57
Atom N of residue 68
Atom CA of residue 26
Atom CD2 of residue 94
Atom CA of residue 74
LYS
ARG
Atom N of residue 45
GLY
Atom CA of residue 148
Atom CA of residue 115
LYS
Atom CD of residue 69
Atom CE of residue 101
GLN
Atom CE of residue 30
Atom CA of residue 77
Atom CA of residue 105
GLY
Atom CA of residue 112
Atom CA of residue 578
SER
Atom N of residue 35
Atom CA of residue 105
Atom CG of residue 77
Atom CA of residue 508
ASP
PHE
Atom CA of residue 110
Atom CA of residue 445
Atom NE of residue 61
Atom OE1 of residue 78
RigidCPF
Atom CA of residue 113
Atom CA of residue 31
Atom CG2 of residue 27
ARG
Atom CA of residue 73
Atom CA of residue 82
SER
Atom OE1 of residue 54
Atom CB of residue 112
Atom O of residue 84
Atom CA of residue 448
Atom CG of residue 75
Atom CA of residue 36
GLY
Atom CA of residue 3
Atom CE of residue 82
Atom CG of residue 121
GLY
Atom O of residue 49
Atom CA of residue 33
Atom O of residue 21
P2121
SER
Atom N of residue 66
TYR
Atom CB of residue 142
Atom CZ of residue 54
Atom CA of residue 78
Atom CA of residue 68
GLY
Atom OE1 of residue 69
Atom C of residue 84
Atom CA of residue 548
Atom C of residue 132
PRO
Atom CB of residue 149
Atom O of residue 22
SER
THR
TRP
Atom CA of residue 466
Atom CA of residue 31
Atom CA of residue 4
Atom C of residue 157
Atom CA of residue 444
VAL
Atom N of residue 139
Atom CA of residue 106
Atom CD1 of residue 27
Atom C of residue 142
Atom CA of residue 43
LEU
MET
Atom CG1 of residue 112
LEU
Atom C of residue 29
Atom CD2 of residue 77
Atom C of residue 36
Atom CB of residue 99
ALA
Atom CB of residue 63
SER
Atom CA of residue 92
ILE
VAL
Atom O of residue 13
Atom C of residue 17
VAL
VAL
ASP
Atom CG1 of residue 142
Atom C of residue 78
Atom CA of residue 2651
Atom CA of residue 64
PHE
Atom CA of residue 40
Atom N of residue 23
Atom O of residue 84
Atom O of residue 132
TYR
Atom CA of residue 37
Atom OE2 of residue 78
LEU
ASP
GLY
LEU
ALA
Atom CA of residue 103
Atom CA of residue 503
Atom CA of residue 108
Atom CA of residue 119
ILE
TYR
GLN
CYS
PRO
Atom CA of residue 18
Atom O of residue 142
ARG
Atom CA of residue 573
MET
Atom CA of residue 573
Atom CB of residue 53
Atom CB of residue 128
LYS
Atom O of residue 29
Atom CD of residue 55
Atom C of residue 38
GridCPF
Atom CG of residue 99
Atom CG of residue 63
Atom CA of residue 14
LEU
TYR
Atom CA of residue 47
VAL
GLY
Atom CA of residue 2643
GLN
Atom CG2 of residue 41
GLU
PHE
Atom CA of residue 60
Atom O of residue 17
ILE
Atom CB of residue 22
HIS
Atom CA of residue 92
HIS
Atom C of residue 27
GLY
ASN
Atom O of residue 157
Atom C of residue 68
LYS
Atom CD1 of residue 6
Model 1
Atom CA of residue 29
LEU
ASN
Atom CA of residue 32
Atom CB of residue 35
TYR
Atom CA of residue 42
Atom CB of residue 22
Model 26
ARG
P2122
Atom CA of residue 63
Atom CG of residue 53
Atom CG of residue 128
Atom CB of residue 76
Atom CA of residue 66
Atom OE1 of residue 55
Atom CB of residue 48
Atom O of residue 38
ConnectivityRestraint 0
LYS
ILE
Atom O of residue 78
Atom C of residue 105
VAL
Atom CB of residue 62
Atom CA of residue 549
Atom N of residue 42
Atom CA of residue 73
Atom CA of residue 149
Atom CA of residue 480
Atom CE3 of residue 16
Atom N of residue 95
Atom CA of residue 78
Atom C of residue 73
Atom O of residue 27
PRO
Atom NZ of residue 101
ASN
Atom CA of residue 90
Atom NZ of residue 30
GLU
Atom O of residue 68
Atom CA of residue 586
GLN
Atom NH1 of residue 54
Atom CA of residue 8
ILE
Atom CA of residue 43
Atom CA of residue 483
Atom CG of residue 35
GLU
Atom CA of residue 2687
Atom CA of residue 114
Atom CA of residue 151
Atom CZ of residue 61
Atom CA of residue 534
Atom CB of residue 84
Atom CA of residue 80
Atom O of residue 76
Atom CA of residue 148
Atom OE2 of residue 54
Atom CA of residue 77
Atom OG1 of residue 76
Atom CA of residue 92
Atom CG of residue 48
Atom CA of residue 58
Atom CG of residue 22
Atom CA of residue 28
LEU
PHE
Atom N of residue 83
Atom CA of residue 35
Atom O of residue 105
Atom CA of residue 149
Atom CA of residue 116
Atom CA of residue 41
Atom CG of residue 62
Atom CA of residue 75
Atom CB of residue 49
Atom CB of residue 157
Atom CA of residue 78
Atom CA of residue 106
Atom CB of residue 21
Atom CD2 of residue 6
1z5s_A.pdb
Atom CA of residue 113
Atom N of residue 79
Atom ND1 of residue 75
Atom CA of residue 579
Atom CZ2 of residue 16
SER
Atom OD1 of residue 121
Atom O of residue 73
Atom CA of residue 130
Atom NE2 of residue 69
Atom C of residue 148
Atom CA of residue 509
Atom CG of residue 22
TRP
Atom OD1 of residue 40
ASN
Atom CA of residue 111
Atom CA of residue 446
Atom CA of residue 136
Atom CA of residue 87
Atom CA of residue 115
Atom CA of residue 114
Atom CA of residue 32
Atom CD1 of residue 77
Atom NH2 of residue 54
CYS
Atom CA of residue 83
CYS
ASP
Atom CG of residue 84
Atom CA of residue 465
Atom N of residue 28
Atom CA of residue 68
Atom CA of residue 7
ILE
GLU
Atom C of residue 77
ASP
GLY
Atom O of residue 36
ILE
Atom CG of residue 155
GLU
Atom CA of residue 43
Atom CA of residue 22
ARG
Atom CG of residue 49
Atom CG2 of residue 112
Atom C of residue 108
CYS
Atom CG of residue 21
Atom C of residue 119
Atom CD2 of residue 75
P2123
SER
Atom ND2 of residue 121
GLN
Atom CA of residue 30
Atom CA of residue 467
Atom CB of residue 84
Atom CA of residue 32
Atom CB of residue 132
Atom CA of residue 445
ASN
Atom CA of residue 107
Atom CG2 of residue 142
Atom C of residue 47
Atom CA of residue 44
Atom CA of residue 41
ARG
ILE
Atom C of residue 60
Atom CA of residue 139
ASP
GLY
Atom CA of residue 66
Atom CB of residue 142
Atom CA of residue 5
Atom CA of residue 93
Atom C of residue 92
Atom CA of residue 45
Atom CA of residue 35
Atom CA of residue 550
Atom CG of residue 157
Atom CB of residue 29
ARG
PRO
Atom CA of residue 10
Atom CB of residue 36
PHE
Atom CA of residue 2652
Atom CA of residue 65
GLU
Atom CD1 of residue 112
Atom CA of residue 74
Atom O of residue 108
Atom CB of residue 17
Atom O of residue 119
LYS
Atom CD of residue 99
PRO
Atom CD of residue 63
Atom CA of residue 39
MET
GLU
LYS
Atom CG of residue 84
LYS
LEU
GLN
Atom CG of residue 132
Atom CA of residue 104
Atom CA of residue 504
Atom CA of residue 535
Model 31
LYS
PRO
LYS
Atom N of residue 143
VAL
Atom O of residue 47
Atom CA of residue 574
LEU
Atom N of residue 102
Atom CA of residue 574
Atom CD1 of residue 22
PHE
Atom N of residue 31
Atom CA of residue 43
Atom O of residue 60
Atom CA of residue 30
Atom CG1 of residue 142
Atom CD1 of residue 155
MET
Atom O of residue 92
ARG
ILE
Atom CA of residue 2644
Atom C of residue 90
Atom CG of residue 29
GLU
Atom N of residue 7
Atom NH1 of residue 61
Atom NE2 of residue 55
LEU
Atom CB of residue 38
Atom CA of residue 79
SER
Atom CA of residue 131
Atom CD1 of residue 53
Atom N of residue 55
SER
Atom CD of residue 128
THR
TYR
LEU
LEU
Atom CG of residue 17
Atom OE1 of residue 99
LEU
PRO
Atom NE of residue 63
Atom CA of residue 33
GLY
Atom CB of residue 27
Atom CA of residue 23
Atom N of residue 69
Atom C of residue 92
GLY
Atom C of residue 35
Atom N of residue 70
Atom CA of residue 64
ASP
TYR
Atom CD of residue 157
ASP
Atom CA of residue 8
Atom CG1 of residue 148
Atom ND1 of residue 35
ASP
Atom O of residue 90
Atom NH2 of residue 61
Atom C of residue 136
Atom CA of residue 150
Atom C of residue 87
Atom CG of residue 38
Atom C of residue 115
Atom CA of residue 481
Atom CZ3 of residue 16
Atom CB of residue 105
Atom CA of residue 79
ALA
LYS
GLU
PRO
Atom CD2 of residue 53
GLY
Atom N of residue 129
Atom CG2 of residue 76
LYS
Atom N of residue 2
LEU
Atom CD of residue 48
Atom CA of residue 587
Atom N of residue 22
Atom C of residue 68
Atom CA of residue 29
Atom CA of residue 1
Atom N of residue 55
Atom CA of residue 44
Atom CA of residue 484
Atom CB of residue 73
Atom CG1 of residue 27
Atom CD1 of residue 62
Atom CA of residue 2688
Atom CA of residue 115
Atom CA of residue 152
GLN
Atom O of residue 92
connectivity list
LEU
Atom CA of residue 81
Atom CD2 of residue 155
Atom CA of residue 149
Atom C of residue 43
Atom O of residue 35
ARG
Atom C of residue 22
NullModifier3
Atom CA of residue 551
Atom CA of residue 78
SER
Atom C of residue 79
Atom CA of residue 59
Atom CA of residue 95
LYS
LEU
Atom CA of residue 150
Atom CA of residue 117
Atom CD2 of residue 35
Atom CA of residue 76
Atom CA of residue 79
Atom CA of residue 107
Atom O of residue 136
Atom O of residue 87
Atom CA of residue 114
Atom CD of residue 84
Atom O of residue 115
Atom CA of residue 580
Atom CH2 of residue 16
Atom CA of residue 6
Atom CG of residue 105
Atom CD2 of residue 22
ARG
Atom N of residue 77
SER
Atom N of residue 20
Atom CA of residue 447
Atom CA of residue 536
Atom CE of residue 48
Atom C of residue 139
Atom CE1 of residue 75
Atom CA of residue 115
Atom CA of residue 33
Atom C of residue 66
Atom O of residue 68
GLN
Atom C of residue 45
SER
Atom N of residue 122
Atom CG of residue 73
Atom CD2 of residue 62
NormalizeRotation3
Atom CA of residue 84
Atom CA of residue 11
Atom CD of residue 49
CYS
Atom CD1 of residue 21
ASP
Atom CG2 of residue 27
ARG
Atom CA of residue 83
Atom O of residue 43
GLN
Atom O of residue 22
GLY
Atom CA of residue 132
GLY
Atom CA of residue 42
LYS
Atom OE1 of residue 84
Atom CG of residue 36
GLU
LEU
Atom CA of residue 31
Atom CA of residue 468
Atom CA of residue 33
Atom N of residue 113
Atom CA of residue 446
Atom CB of residue 108
Atom N of residue 56
Atom CB of residue 119
Atom O of residue 139
Atom CA of residue 108
Atom O of residue 66
Atom CE1 of residue 155
Atom O of residue 45
GLU
Atom CA of residue 45
PHE
ASN
Atom OE1 of residue 49
PHE
Atom CD2 of residue 21
Atom O of residue 79
Atom CA of residue 450
Atom N of residue 28
Atom CA of residue 14
Atom CA of residue 5
GLU
Atom CA of residue 94
Atom N of residue 48
Atom CD of residue 84
Atom CD of residue 132
Atom CB of residue 60
ALA
LYS
Atom CA of residue 2653
Atom CA of residue 66
Atom CB of residue 92
PRO
GLU
Atom C of residue 23
Atom CA of residue 75
TYR
VAL
TRP
Atom CG2 of residue 142
Atom CA of residue 40
LEU
ALA
LEU
GLN
LEU
GLY
ALA
Atom CA of residue 105
Atom CA of residue 505
Atom CD of residue 29
Atom OG1 of residue 108
GLY
Atom CG of residue 119
HIS
Atom CA of residue 8
Atom OE2 of residue 99
LEU
Atom CA of residue 28
Atom CZ of residue 63
ARG
Atom CA of residue 575
PRO
Atom CA of residue 125
Atom CA of residue 552
GLU
Atom CA of residue 44
Atom CD of residue 17
Atom CA of residue 31
Atom CA of residue 18
GLU
LYS
ALA
GLN
Atom CA of residue 2645
Atom N of residue 85
Atom CE1 of residue 22
Atom OE1 of residue 132
PRO
Atom CG of residue 60
Atom N of residue 62
LEU
LEU
Atom CG of residue 92
Atom O of residue 23
1z5s_C.pdb rigid body positions
Atom CE1 of residue 91
ARG
Atom CA of residue 69
LEU
Atom CB of residue 12
Atom CA of residue 537
GLY
Atom CA of residue 17
Atom N of residue 20
Atom N of residue 143
Atom CA of residue 34
VAL
Atom CA of residue 29
Atom CA of residue 102
Atom CA of residue 12
Atom NE1 of residue 53
ALA
Atom OE1 of residue 29
Atom CD1 of residue 38
Atom CB of residue 79
Atom C of residue 95
Atom CA of residue 65
Atom CB of residue 117
Atom CB of residue 92
Atom NE of residue 17
SER
Atom NE2 of residue 75
Atom CA of residue 66
Chain A
Atom CB of residue 35
Atom CA of residue 133
Atom CA of residue 55
MET
Atom CA of residue 151
Atom CD1 of residue 36
Atom CA of residue 482
GLY
Atom CA of residue 80
Atom CE1 of residue 35
ASN
LYS
Atom CA of residue 66
LEU
Atom CB of residue 136
Atom CB of residue 87
Atom N of residue 116
ASP
Atom N of residue 17
Atom CE2 of residue 155
Atom CA of residue 7
Atom CA of residue 45
Atom CA of residue 485
Atom C of residue 83
Atom CA of residue 70
normalize rigid bodies
Atom CA of residue 2689
Atom O of residue 77
Atom CA of residue 116
PRO
Atom CA of residue 153
PRO
Atom NZ of residue 48
Atom CD2 of residue 38
GLY
Atom CA of residue 82
Atom C of residue 14
Atom CB of residue 68
Atom CA of residue 143
Atom O of residue 95
Atom CA of residue 150
Atom CD of residue 105
Atom N of residue 63
Atom C of residue 42
Atom CA of residue 79
Atom CG1 of residue 92
Atom N of residue 76
Atom CA of residue 60
LEU
PHE
Atom CB of residue 43
Atom OG1 of residue 35
Atom CA of residue 151
Atom CA of residue 118
Atom CD of residue 73
ALA
Atom CB of residue 22
Atom CA of residue 77
Atom CA of residue 80
Atom CA of residue 108
GLY
LEU
Atom CA of residue 115
Atom CD2 of residue 36
Atom CA of residue 581
Atom CD of residue 147
PRO
SER
Atom CA of residue 448
Atom CG1 of residue 136
Atom CG of residue 87
Atom OE2 of residue 84
Atom CG of residue 79
ILE
Atom CA of residue 116
ARG
ASP
PHE
Atom O of residue 83
Atom C of residue 125
Atom CA of residue 85
Atom N of residue 41
Atom CA of residue 553
ALA
GLY
Atom C of residue 28
Atom O of residue 14
Atom CB of residue 66
Atom CG of residue 68
Atom CA of residue 35
Atom CA of residue 6
Atom CB of residue 45
Atom N of residue 106
LYS
ARG
AccumulateRigidBodyDerivatives2
Atom OE2 of residue 49
Atom O of residue 42
Atom CE1 of residue 21
Atom CG of residue 12
PRO
Atom N of residue 100
SER
Atom NH1 of residue 63
Atom CA of residue 55
Atom CG of residue 43
Atom N of residue 74
Atom CG1 of residue 22
ASP
GLU
HIS
Atom CA of residue 538
Atom CA of residue 514
ILE
Atom CZ of residue 155
Atom CA of residue 122
LEU
Atom CA of residue 32
Atom CA of residue 469
Atom CE2 of residue 91
Atom CA of residue 129
ASN
Atom CA of residue 447
Atom CA of residue 109
MET
Atom CA of residue 48
Atom CA of residue 46
Atom O of residue 125
LEU
VAL
Atom CE2 of residue 22
TYR
Atom CA of residue 451
Atom O of residue 28
Atom CG of residue 66
Atom CA of residue 434
ASP
Atom CA of residue 95
Atom CG1 of residue 45
Atom CA of residue 134
Atom CA of residue 7
Atom CE2 of residue 53
Atom C of residue 69
Atom CG2 of residue 108
Atom CD1 of residue 119
GLN
ASP
ASP
Atom NH2 of residue 63
Atom CA of residue 2654
Atom CA of residue 67
PRO
ASN
Atom C of residue 102
Atom CA of residue 113
Atom OE2 of residue 132
Atom CA of residue 76
Atom CA of residue 56
Atom OG of residue 7
Atom CD of residue 79
Atom CA of residue 43
Atom CA of residue 4
Atom CA of residue 41
PRO
THR
Atom N of residue 24
TYR
Atom CA of residue 432
Atom CZ of residue 91
ILE
LYS
Atom CA of residue 106
Atom CA of residue 77
Atom CA of residue 506
Atom CD1 of residue 60
GLU
PHE
GLU
ALA
Atom CD of residue 92
LYS
Atom NE2 of residue 35
Atom C of residue 55
PRO
Atom CA of residue 31
CAlphaPDBSelector1
Atom NE2 of residue 29
Atom CA of residue 45
Atom CE2 of residue 77
Atom CA of residue 69
Atom CA of residue 20
ARG
GLN
GLU
TYR
Atom CA of residue 2662
Atom CE3 of residue 53
Atom O of residue 69
Atom N of residue 109
PRO
PRO
Atom CZ of residue 17
Atom CD2 of residue 119
Atom N of residue 49
1z5s_D.pdb rigid body positions
THR
GLY
Atom CA of residue 9
LEU
Atom N of residue 156
Atom C of residue 70
Atom O of residue 102
Atom CA of residue 43
Atom N of residue 147
GLY
ARG
Atom CA of residue 452
ILE
Atom CA of residue 11
Atom C of residue 143
Atom CA of residue 35
LYS
Atom CA of residue 30
PHE
LEU
LYS
Atom CD2 of residue 60
Atom OE1 of residue 92
Atom CA of residue 432
Atom N of residue 36
Atom CA of residue 66
Atom O of residue 55
Atom CZ of residue 22
Atom CD of residue 12
Atom N of residue 85
Atom N of residue 39
THR
Atom CA of residue 28
Atom CA of residue 2
Atom CB of residue 95
ASN
Atom CA of residue 539
Atom CA of residue 152
GLU
Atom CA of residue 515
Atom N of residue 80
Atom CA of residue 116
Atom CA of residue 483
/private/tmp/nightly-build-17099/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
Atom CA of residue 81
PRO
Atom O of residue 70
VAL
Atom N of residue 50
Atom CG2 of residue 92
Atom CE2 of residue 21
Atom CA of residue 112
Atom CE1 of residue 36
Atom O of residue 143
Atom CA of residue 46
Atom CA of residue 486
Atom CG2 of residue 35
Atom CA of residue 2690
ALA
Atom CA of residue 117
Atom CA of residue 154
Atom CA of residue 62
Atom CA of residue 83
PRO
Atom C of residue 55
Atom CA of residue 151
Atom CB of residue 83
Atom CA of residue 135
Atom CA of residue 554
Atom CA of residue 80
1z5s_C.pdb rigid body positions
Atom CG2 of residue 136
Atom CD1 of residue 87
GLU
MET
Atom CA of residue 19
Atom CA of residue 61
Atom CB of residue 14
Atom CD of residue 21
VAL
ILE
Atom OG of residue 95
ALA
PRO
GLU
ALA
Atom C of residue 122
Atom CA of residue 152
Atom CA of residue 119
Atom CA of residue 85
Atom CA of residue 78
Atom CB of residue 13
Atom C of residue 129
Atom CB of residue 42
Atom CA of residue 81
Atom CA of residue 109
Atom N of residue 8
Atom CA of residue 116
CYS
Atom CD1 of residue 68
Atom CA of residue 582
Atom C of residue 48
LYS
SER
ALA
SER
PRO
Atom N of residue 93
Atom CA of residue 465
Atom CZ of residue 21
GLU
Atom CA of residue 117
Atom CA of residue 143
Atom CA of residue 11
1z5s_C1.pdb
Atom ND1 of residue 43
Atom N of residue 36
Atom CA of residue 63
Atom CG2 of residue 22
Atom CA of residue 86
CAlphaPDBSelector2
Atom CA of residue 9
Atom N of residue 133
ILE
Atom CA of residue 70
Atom O of residue 55
Atom N of residue 84
Atom CB of residue 125
THR
Atom C of residue 113
LEU
Atom C of residue 56
Atom CD1 of residue 136
Atom CD2 of residue 87
PRO
LYS
Atom N of residue 29
Atom CG of residue 14
Atom N of residue 64
Atom CA of residue 156
Atom O of residue 122
CYS
ILE
Atom O of residue 129
Atom OG1 of residue 42
Atom C of residue 77
Atom N of residue 30
GLU
Atom OD1 of residue 66
Atom CD2 of residue 68
HIS
Atom CG2 of residue 45
Atom O of residue 48
PRO
Atom CA of residue 33
Atom CA of residue 470
rigid bodies list
Atom OH of residue 91
Atom C of residue 31
ASP
Atom OE1 of residue 12
Atom NH1 of residue 17
Atom CA of residue 110
Atom CD2 of residue 43
Atom CA of residue 47
PHE
Atom CD1 of residue 22
SER
ALA
Atom CA of residue 2665
Atom CA of residue 2
Atom CA of residue 100
Atom CA of residue 17
Atom CA of residue 96
Atom CG1 of residue 125
ALA
Atom CZ2 of residue 53
Atom CG of residue 13
Atom O of residue 113
Atom CA of residue 540
Atom O of residue 56
ALA
Atom CA of residue 80
GLU
GLN
PHE
Atom CA of residue 435
Atom CA of residue 2655
Atom CA of residue 68
LEU
Atom CA of residue 24
Atom CA of residue 77
Atom O of residue 77
Atom CB of residue 69
ASP
ILE
Atom N of residue 120
Atom CA of residue 44
Atom OD2 of residue 66
GLN
Atom CA of residue 42
Atom CD1 of residue 45
LYS
VAL
Atom CB of residue 102
LEU
Atom N of residue 92
GLN
LYS
Atom CA of residue 107
Atom O of residue 31
Atom CA of residue 507
AccumulateRigidBodyDerivatives6
Atom NH2 of residue 17
VAL
GLY
Atom CA of residue 76
Atom C of residue 28
HIS
SER
GLN
GLY
PHE
Atom CA of residue 136
ALA
PRO
Atom CA of residue 46
Atom N of residue 61
Atom CE2 of residue 36
Atom C of residue 116
Atom C of residue 156
GLN
Atom NE2 of residue 92
Atom CA of residue 106
ALA
LEU
ASP
Atom CZ3 of residue 53
Atom N of residue 56
LEU
ILE
GLN
Atom CA of residue 15
Atom CA of residue 74
Atom CA of residue 44
GLU
Atom CG of residue 69
Atom C of residue 62
LEU
Atom C of residue 4
GLN
Atom CA of residue 36
Atom CA of residue 12
LEU
Atom CA of residue 31
Atom CB of residue 70
Atom CG of residue 102
Atom CA of residue 40
Atom O of residue 28
Atom CA of residue 71
Atom CB of residue 143
ILE
Atom CA of residue 67
Atom C of residue 85
MET
Atom CA of residue 49
Atom C of residue 80
Atom CZ of residue 36
Atom O of residue 116
Atom CA of residue 3
Atom CA of residue 2647
GLY
Atom CA of residue 432
Atom CA of residue 153
Atom CA of residue 484
Atom C of residue 143
Atom CA of residue 82
VAL
Atom C of residue 63
LEU
Atom OH of residue 21
Atom O of residue 62
Atom CA of residue 113
Atom CA of residue 3
Atom CA of residue 34
Atom N of residue 96
Atom CA of residue 47
Atom CA of residue 487
Atom CG of residue 70
Atom CA of residue 2691
LYS
Atom CA of residue 118
Atom CA of residue 155
ASP
CYS
Atom CA of residue 85
Atom CA of residue 39
Atom CA of residue 84
Atom CG of residue 143
Atom O of residue 156
Atom CA of residue 152
MET
Atom CA of residue 52
Atom O of residue 85
Atom CD of residue 13
Atom CA of residue 555
Atom CA of residue 81
Atom CA of residue 541
Atom CA of residue 62
SER
ILE
Atom CA of residue 510
Atom CB of residue 55
PRO
GLY
Atom CA of residue 153
Atom CA of residue 120
Atom CA of residue 66
Atom CA of residue 79
Atom CA of residue 2629
Atom CA of residue 50
Atom C of residue 149
Atom CA of residue 109
Atom CA of residue 82
Atom CA of residue 110
Atom N of residue 137
Atom CE1 of residue 87
Atom CA of residue 117
ALA
Atom CA of residue 583
Atom O of residue 143
GLU
Atom CB of residue 122
Atom O of residue 63
Atom CB of residue 129
ILE
PHE
Atom N of residue 22
GLN
Atom C of residue 3
Atom C of residue 100
Atom CA of residue 118
Atom CD of residue 14
Atom CE1 of residue 68
SER
Atom C of residue 17
ILE
Atom CB of residue 48
Atom CA of residue 137
Atom CA of residue 87
Atom CG2 of residue 42
PRO
Atom O of residue 80
Atom CA of residue 29
Atom CE1 of residue 43
Atom C of residue 24
Atom N of residue 23
Atom CD1 of residue 9
LEU
GLY
Atom CG of residue 55
ALA
GLY
1z5s_D.pdb
Atom CB of residue 113
VAL
Atom N of residue 57
TYR
Atom C of residue 76
Atom CA of residue 21
Atom N of residue 93
Chain C
Atom CG of residue 122
Atom CG2 of residue 125
GLY
Atom CA of residue 35
Atom CA of residue 471
Atom CA of residue 10
Atom N of residue 130
Atom CA of residue 133
Atom CB of residue 77
Atom CA of residue 450
Atom C of residue 13
Atom N of residue 18
Atom CA of residue 111
Atom O of residue 100
Atom CE of residue 14
Atom N of residue 67
Atom C of residue 76
Atom CA of residue 72
Atom O of residue 17
Atom CB of residue 156
Atom N of residue 46
Atom CG of residue 48
Atom C of residue 106
Atom CA of residue 48
TYR
GLU
ARG
GLN
Atom N of residue 43
Atom CB of residue 31
Atom CA of residue 2666
ALA
ASN
Atom CA of residue 97
Atom C of residue 74
LEU
Atom O of residue 24
LYS
Atom CA of residue 30
LYS
Atom O of residue 4
Atom CA of residue 17
ALA
Atom CA of residue 436
Atom CA of residue 2656
Atom CA of residue 69
PHE
Atom CH2 of residue 53
Atom CG of residue 113
Atom CA of residue 78
VAL
Atom O of residue 76
Atom CA of residue 45
Atom CA of residue 43
GLU
GLY
ARG
Atom C of residue 84
Atom CD1 of residue 125
ASP
Chain D
GLU
PHE
Atom CA of residue 108
Atom CG of residue 77
Atom CA of residue 508
Atom CA of residue 93
LYS
Atom C of residue 49
LEU
Atom CB of residue 80
PRO
ASP
Atom CA of residue 64
ALA
PRO
Atom CA of residue 36
Atom O of residue 106
TYR
Atom CA of residue 56
LEU
LEU
Atom CG of residue 31
Atom CD of residue 69
Atom CA of residue 47
Atom CA of residue 12
Atom CA of residue 542
Atom N of residue 37
Atom CB of residue 28
PHE
LYS
LYS
LEU
Atom O of residue 74
Atom OD1 of residue 102
python stream
PHE
Atom CA of residue 120
Atom CA of residue 141
GLN
Atom CB of residue 116
THR
LEU
Atom CA of residue 45
ALA
Atom N of residue 54
ILE
Atom CD1 of residue 91
Atom C of residue 85
Atom C of residue 39
GLU
PRO
Atom N of residue 157
MET
Atom O of residue 84
Atom CA of residue 36
Atom CA of residue 138
Atom CA of residue 32
ASP
Atom CD2 of residue 9
Atom CB of residue 62
Atom O of residue 49
Atom CE2 of residue 87
GLY
Atom CA of residue 68
Atom C of residue 50
Atom OE1 of residue 69
Atom C of residue 109
Atom CA of residue 517
LYS
Atom CG of residue 28
Atom CE2 of residue 68
Atom CA of residue 4
Atom CA of residue 513
NullModifier4
Atom CA of residue 2648
Atom CD of residue 70
Atom CB of residue 85
Atom OD2 of residue 102
Atom CG1 of residue 116
Atom CA of residue 485
Atom CD of residue 143
Atom NE2 of residue 43
Atom CA of residue 83
SER
Atom CA of residue 18
GLY
Atom CD2 of residue 91
Atom CA of residue 114
Atom O of residue 85
Atom O of residue 39
Atom CG of residue 80
Atom C of residue 29
Atom CA of residue 73
Atom CB of residue 143
Atom CA of residue 48
Atom CA of residue 488
Atom C of residue 36
CYS
Atom CB of residue 63
Atom CA of residue 2692
SER
Atom CA of residue 119
Atom CA of residue 156
TYR
Atom CG of residue 62
ILE
LEU
Atom CZ of residue 87
Atom CA of residue 85
Atom CA of residue 96
Atom CA of residue 153
NormalizeRotation4
Atom O of residue 50
Atom CA of residue 556
Atom CA of residue 82
Atom O of residue 109
Atom NZ of residue 146
Atom CA of residue 6
LYS
Atom CA of residue 63
Atom CZ of residue 68
THR
GLU
ALA
THR
GLN
Atom CA of residue 154
Atom CA of residue 121
GLU
Atom NE of residue 70
Atom CG of residue 85
Atom CA of residue 80
Atom C of residue 133
Atom CA of residue 83
Atom CA of residue 111
Atom CA of residue 118
Atom CA of residue 14
ILE
Atom CA of residue 584
Atom OE1 of residue 143
PRO
Atom N of residue 44
THR
ASN
GLY
ARG
Atom CA of residue 119
Atom O of residue 29
Atom CG of residue 143
Atom CA of residue 27
Atom CD of residue 55
ALA
Atom CG of residue 63
Atom CA of residue 88
1z5s_C1.pdb RigidBodyHierarchy 1
Atom C of residue 30
GLY
Atom CA of residue 543
LEU
Atom CB of residue 100
Atom NZ of residue 14
Atom CB of residue 17
LEU
Atom CD of residue 122
Atom CA of residue 92
GLN
HIS
Atom CA of residue 57
Atom CA of residue 137
LEU
Atom CA of residue 9
Atom CD of residue 48
Atom CB of residue 24
ALA
ILE
VAL
Atom CA of residue 20
Atom N of residue 10
Atom O of residue 133
Atom C of residue 93
LEU
Atom CD of residue 80
Atom CB of residue 76
Atom C of residue 64
Atom CA of residue 157
Atom C of residue 36
Atom CA of residue 139
Atom CA of residue 65
Atom CA of residue 472
Atom C of residue 56
Atom CA of residue 451
Atom NH2 of residue 8
Atom CA of residue 142
Atom CA of residue 112
Atom CB of residue 76
Atom OE1 of residue 55
Atom CA of residue 49
Atom N of residue 126
GLY
Atom CA of residue 23
Atom CD1 of residue 113
Atom CA of residue 2667
Atom CA of residue 2629
Atom O of residue 30
Atom C of residue 120
ARG
Atom CA of residue 518
Atom CG of residue 100
Atom CG of residue 17
Atom CA of residue 514
Atom CA of residue 98
Atom CB of residue 106
Atom OE1 of residue 122
ALA
Atom CD of residue 77
Atom CG of residue 21
Atom CA of residue 453
THR
GLY
Atom CA of residue 437
Atom CA of residue 2657
Atom CA of residue 70
Atom CA of residue 93
Atom CE of residue 48
HIS
Atom CB of residue 74
Atom CG of residue 24
Atom CA of residue 79
Atom OD1 of residue 31
Atom O of residue 93
Atom CA of residue 46
Atom CA of residue 67
Atom O of residue 64
Atom CA of residue 46
TYR
MET
Atom O of residue 36
Atom CB of residue 84
GLN
GLY
Atom CA of residue 2630
GLU
Atom O of residue 56
LEU
ALA
Atom CA of residue 109
Atom CA of residue 509
ASN
GLU
Atom OG1 of residue 76
ASN
LYS
TRP
GLN
Atom CD2 of residue 113
ALA
PHE
1z5s_D.pdb
Atom CA of residue 48
Atom O of residue 120
Atom CB of residue 49
ILE
Atom CA of residue 433
Atom N of residue 107
LYS
ASN
Atom CA of residue 45
Atom N of residue 78
Atom NE2 of residue 69
HIS
Atom CA of residue 452
Atom CA of residue 18
Atom N of residue 81
GLU
GLU
THR
LEU
Atom C of residue 157
Atom CG of residue 74
Atom N of residue 103
Atom CA of residue 46
Atom CA of residue 130
GLY
Atom ND2 of residue 31
VAL
Atom CD of residue 28
LEU
LYS
Atom C of residue 96
Atom CG of residue 84
HIS
Atom N of residue 9
Atom CA of residue 544
Atom OH of residue 87
VAL
Atom CB of residue 85
Atom CB of residue 39
Atom CG2 of residue 116
THR
Atom O of residue 36
Atom CA of residue 69
Atom CA of residue 10
Atom CA of residue 43
Atom CA of residue 22
Atom CG of residue 49
Atom OH of residue 68
Atom CA of residue 5
Atom CA of residue 2649
Atom CB of residue 50
Chain D
Atom CB of residue 109
Atom SD of residue 62
Atom CA of residue 486
Atom CA of residue 36
LEU
Atom CA of residue 84
Atom CA of residue 140
Atom CZ of residue 70
ALA
TRP
Atom CA of residue 115
Atom CA of residue 143
Atom N of residue 29
Atom CA of residue 37
Atom OE2 of residue 143
Atom O of residue 96
Atom CA of residue 44
GLY
Atom CA of residue 489
Atom OD1 of residue 85
Atom CA of residue 2693
Atom C of residue 92
1z5s_A.pdb RigidBodyHierarchy 1
Atom CA of residue 120
Atom CA of residue 157
VAL
Atom C of residue 137
Atom C of residue 57
Atom N of residue 88
Atom CA of residue 519
Atom CG of residue 85
Atom CG of residue 39
ALA
Atom CD1 of residue 116
Atom CA of residue 86
Atom CB of residue 29
LEU
Atom CA of residue 515
Atom CA of residue 154
Atom CB of residue 36
Atom CA of residue 21
Atom CA of residue 557
Atom CA of residue 83
LEU
SER
Atom N of residue 69
Atom CD of residue 143
GLY
Atom O of residue 157
LYS
PHE
ARG
Atom CA of residue 155
Atom CA of residue 122
THR
Atom CD of residue 63
Atom CA of residue 81
Atom OG of residue 50
Atom CG1 of residue 109
Atom CA of residue 84
Atom CA of residue 112
Atom CG of residue 117
Atom CE of residue 62
Atom CA of residue 8
Atom CA of residue 119
PRO
Atom CA of residue 585
PHE
ASN
Atom C of residue 23
LEU
GLU
Atom CB of residue 133
ILE
SER
LEU
LYS
HIS
Atom CA of residue 120
python stream rigid body positions
Atom O of residue 146
LEU
Atom ND2 of residue 85
Atom O of residue 92
LYS
Atom O of residue 137
Atom O of residue 57
VAL
Atom CG of residue 29
Atom CA of residue 40
Atom NE2 of residue 55
Atom C of residue 93
ILE
Atom CB of residue 30
Atom CA of residue 81
Atom C of residue 67
Atom OE1 of residue 143
Atom C of residue 46
Atom OE2 of residue 122
Atom CA of residue 42
Atom NE of residue 63
PRO
ILE
Atom CZ of residue 13
SER
GLU
Atom CD of residue 117
GLU
Atom OD1 of residue 100
Atom CD2 of residue 20
Atom CD of residue 17
Atom NZ of residue 48
Atom O of residue 147
Atom CA of residue 473
Atom O of residue 23
Atom N of residue 134
Atom CB of residue 93
Atom N of residue 70
Atom CA of residue 545
Atom CA of residue 113
HIS
ALA
Atom CB of residue 64
Atom CB of residue 36
Atom CA of residue 50
Atom CD1 of residue 24
GLN
Atom N of residue 57
Atom CA of residue 2668
Atom C of residue 18
Atom CB of residue 157
Atom CA of residue 10
Atom CA of residue 99
Atom O of residue 93
THR
Atom C of residue 10
Atom N of residue 114
Atom C of residue 130
Atom CG of residue 30
Atom CB of residue 120
Atom O of residue 9
Atom CA of residue 454
Atom CG2 of residue 76
VAL
Atom O of residue 67
Atom CA of residue 2658
Atom CA of residue 71
Atom O of residue 46
Atom CG of residue 147
PRO
Atom CA of residue 54
Atom CA of residue 80
LYS
PHE
Atom CA of residue 144
Atom OD2 of residue 100
SER
Atom CA of residue 47
Atom NE of residue 17
Atom CA of residue 438
Atom CB of residue 77
ALA
ILE
Atom CA of residue 126
SER
Atom CA of residue 2631
LEU
PRO
Atom C of residue 43
Atom CA of residue 110
Atom N of residue 32
Atom CA of residue 510
Atom SG of residue 93
ARG
Atom C of residue 22
GLN
Atom CA of residue 520
VAL
ASN
LEU
Atom CG of residue 64
Atom CA of residue 10
LYS
Atom CG of residue 36
GLY
Atom CD of residue 74
Atom CD2 of residue 24
Atom NH1 of residue 70
LEU
PRO
HIS
Atom CA of residue 49
Atom O of residue 18
Atom C of residue 81
Atom CA of residue 18
Atom N of residue 144
GLY
ALA
Atom CD of residue 84
Atom CA of residue 44
PHE
GLU
PRO
Atom CA of residue 46
Atom CA of residue 148
LEU
Atom O of residue 130
PRO
Atom CA of residue 61
Atom CG of residue 120
LEU
Atom N of residue 77
Atom C of residue 37
TYR
Atom CA of residue 51
LEU
Atom CA of residue 47
VAL
Atom O of residue 41
MET
Atom CD of residue 49
LEU
Atom CA of residue 15
Atom O of residue 43
PRO
Atom O of residue 22
THR
Atom CA of residue 41
Atom CB of residue 96
Atom CG of residue 157
Atom CE of residue 74
Atom NH2 of residue 70
Atom CA of residue 70
PRO
Atom O of residue 6
Atom CA of residue 35
Atom N of residue 117
TYR
Atom CA of residue 35
Atom OE1 of residue 84
Atom CG of residue 36
Atom CA of residue 74
Atom CA of residue 2650
Atom CA of residue 103
Atom CA of residue 2630
Atom C of residue 61
TYR
Atom SD of residue 39
Atom CD of residue 85
Atom O of residue 37
Atom CA of residue 487
PRO
Atom CA of residue 6
Atom N of residue 56
LEU
Atom CA of residue 85
PHE
Atom CB of residue 41
Atom N of residue 63
Atom CA of residue 116
Atom CA of residue 546
Atom OE1 of residue 49
Atom CA of residue 45
Atom CA of residue 490
Atom N of residue 123
Atom O of residue 10
Atom N of residue 51
Atom CA of residue 121
SER
Atom CG2 of residue 109
Atom O of residue 81
Atom CA of residue 87
Atom CG1 of residue 96
Atom N of residue 49
Atom CA of residue 155
Atom CA of residue 107
Atom N of residue 86
Atom NH1 of residue 13
Atom CB of residue 92
Atom CA of residue 558
Atom CA of residue 84
Atom CB of residue 137
Atom CB of residue 57
SER
GLN
PHE
ILE
Atom CA of residue 156
Atom CA of residue 123
Atom CA of residue 82
Atom CA of residue 78
Atom CA of residue 85
Atom CA of residue 113
Atom CA of residue 576
Atom CA of residue 145
Atom CA of residue 64
PHE
Atom CE of residue 39
Atom CA of residue 120
Atom OE1 of residue 85
GLY
Atom CE1 of residue 20
Atom CD of residue 29
Atom CA of residue 586
Atom OE2 of residue 143
LEU
ASP
GLY
ALA
Atom CA of residue 43
Atom CZ of residue 63
ASP
LYS
ASN
LEU
VAL
Atom CA of residue 121
TRP
Atom CD of residue 157
PRO
PRO
Atom CB of residue 23
TYR
Atom CD1 of residue 109
LYS
VAL
LYS
LYS
PRO
VAL
Atom C of residue 54
Atom CG of residue 92
TYR
Atom CG of residue 137
Atom CG1 of residue 57
Atom C of residue 150
Atom O of residue 5
ASP
Atom CB of residue 93
Atom C of residue 126
GLY
MET
GLN
VAL
ASP
Atom CB of residue 67
Atom OE1 of residue 29
Atom CA of residue 21
Atom O of residue 146
Atom CB of residue 46
Atom CA of residue 474
Atom CA of residue 57
Atom CD of residue 8
Atom OD1 of residue 30
Atom CA of residue 114
Atom CB of residue 81
Atom CA of residue 29
Atom N of residue 101
Atom CA of residue 42
Atom CZ of residue 17
HIS
Atom C of residue 44
Atom CA of residue 51
ARG
Atom CG of residue 23
Atom CA of residue 2
ALA
Atom CA of residue 2669
Atom C of residue 22
scons: *** Error 1
multifit module unit tests FAILED
Running multifit module unit tests
scons: *** [modules/multifit/test/fast-test.results] Error 1
/opt/local/include/opencv2/core/core.hpp:1265: warning: 'class cv::_InputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1315: warning: 'class cv::_OutputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h:34: warning: 'struct cdiggins::anyimpl::base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cdiggins::anyimpl::empty_any]'
/opt/local/include/opencv2/flann/any.h:159: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cdiggins::anyimpl::empty_any]'
/opt/local/include/opencv2/flann/any.h:159: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:166: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:166: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = int]'
/opt/local/include/opencv2/flann/params.h:50: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = int]'
/opt/local/include/opencv2/flann/params.h:50: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = float]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = float]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = float]'
/opt/local/include/opencv2/flann/params.h:52: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = float]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = float]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = float]'
/opt/local/include/opencv2/flann/params.h:52: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = bool]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/params.h:54: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = bool]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/params.h:54: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/kdtree_index.h:57: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/kdtree_index.h:57: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/kmeans_index.h:67: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/kmeans_index.h:67: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/lsh_index.h:63: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/lsh_index.h:63: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy, std::allocator > >':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy, std::allocator > >'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = std::string]'
/opt/local/include/opencv2/flann/flann_base.hpp:68: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy, std::allocator > >' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy, std::allocator > >':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = std::string]'
/opt/local/include/opencv2/flann/flann_base.hpp:68: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy, std::allocator > >' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1265: warning: 'class cv::_InputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1315: warning: 'class cv::_OutputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h:34: warning: 'struct cdiggins::anyimpl::base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cdiggins::anyimpl::empty_any]'
/opt/local/include/opencv2/flann/any.h:159: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cdiggins::anyimpl::empty_any]'
/opt/local/include/opencv2/flann/any.h:159: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:166: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:166: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = int]'
/opt/local/include/opencv2/flann/params.h:50: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = int]'
/opt/local/include/opencv2/flann/params.h:50: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = float]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = float]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = float]'
/opt/local/include/opencv2/flann/params.h:52: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = float]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = float]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = float]'
/opt/local/include/opencv2/flann/params.h:52: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = bool]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/params.h:54: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = bool]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/params.h:54: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/kdtree_index.h:57: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/kdtree_index.h:57: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/kmeans_index.h:67: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/kmeans_index.h:67: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/lsh_index.h:63: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/lsh_index.h:63: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy, std::allocator > >':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy, std::allocator > >'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = std::string]'
/opt/local/include/opencv2/flann/flann_base.hpp:68: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy, std::allocator > >' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy, std::allocator > >':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = std::string]'
/opt/local/include/opencv2/flann/flann_base.hpp:68: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy, std::allocator > >' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1265: warning: 'class cv::_InputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1315: warning: 'class cv::_OutputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h:34: warning: 'struct cdiggins::anyimpl::base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cdiggins::anyimpl::empty_any]'
/opt/local/include/opencv2/flann/any.h:159: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cdiggins::anyimpl::empty_any]'
/opt/local/include/opencv2/flann/any.h:159: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:166: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = const char*]'
/opt/local/include/opencv2/flann/any.h:166: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = int]'
/opt/local/include/opencv2/flann/params.h:50: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = int]'
/opt/local/include/opencv2/flann/params.h:50: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = float]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = float]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = float]'
/opt/local/include/opencv2/flann/params.h:52: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = float]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = float]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = float]'
/opt/local/include/opencv2/flann/params.h:52: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = bool]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/params.h:54: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = bool]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = bool]'
/opt/local/include/opencv2/flann/params.h:54: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/kdtree_index.h:57: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_algorithm_t]'
/opt/local/include/opencv2/flann/kdtree_index.h:57: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/kmeans_index.h:67: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = cvflann::flann_centers_init_t]'
/opt/local/include/opencv2/flann/kmeans_index.h:67: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy':
/opt/local/include/opencv2/flann/any.h:55: instantiated from 'cdiggins::anyimpl::small_any_policy'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/lsh_index.h:63: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::small_any_policy':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = unsigned int]'
/opt/local/include/opencv2/flann/lsh_index.h:63: instantiated from here
/opt/local/include/opencv2/flann/any.h:55: warning: 'struct cdiggins::anyimpl::small_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy, std::allocator > >':
/opt/local/include/opencv2/flann/any.h:69: instantiated from 'cdiggins::anyimpl::big_any_policy, std::allocator > >'
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = std::string]'
/opt/local/include/opencv2/flann/flann_base.hpp:68: instantiated from here
/opt/local/include/opencv2/flann/any.h:47: warning: 'struct cdiggins::anyimpl::typed_base_any_policy, std::allocator > >' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::big_any_policy, std::allocator > >':
/opt/local/include/opencv2/flann/any.h:136: instantiated from 'cdiggins::anyimpl::base_any_policy* cdiggins::anyimpl::get_policy() [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:196: instantiated from 'cdiggins::any& cdiggins::any::assign(const T&) [with T = std::basic_string, std::allocator >]'
/opt/local/include/opencv2/flann/any.h:205: instantiated from 'cdiggins::any& cdiggins::any::operator=(const T&) [with T = std::string]'
/opt/local/include/opencv2/flann/flann_base.hpp:68: instantiated from here
/opt/local/include/opencv2/flann/any.h:69: warning: 'struct cdiggins::anyimpl::big_any_policy, std::allocator > >' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1265: warning: 'class cv::_InputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/core/core.hpp:1315: warning: 'class cv::_OutputArray' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h:34: warning: 'struct cdiggins::anyimpl::base_any_policy' has virtual functions but non-virtual destructor
/opt/local/include/opencv2/flann/any.h: In instantiation of 'cdiggins::anyimpl::typed_base_any_policy